subject:(Solvatochromism)

University of Minnesota

1. Grofe, Adam. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.

Degree: PhD, Chemistry, 2018, University of Minnesota

URL: http://hdl.handle.net/11299/199079

► This dissertation is contains two separates areas of research. The first three Chapters focus on the development and several proof-of-concepts for multistate density functional theory… (more)

▼ This dissertation is contains two separates areas of research. The first three Chapters focus on the development and several proof-of-concepts for multistate density functional theory (MSDFT) regarding excited state chemistry. When performing configuration interaction (CI) on density functional theory (DFT), there is a danger of double-counting with regard to correlation. It is shown that it is possible to remove double counting in a systematic way by combining wave function theory with DFT, and that MSDFT has the correct topology with regard to conical intersection because it fundamentally includes coupling between the excited state densities and the ground state density, which is not true for time-dependent DFT. This was revealed for the dissociation of ammonia, and Jahn-Teller conical intersections. Block localized DFT was used to assemble diabatic states that can be optimized separately and permits the use of chemical intuition by defining the states in a relatively straightforward manner. Finally, the MSDFT formalism was used to optimize spin-multiplet states with the correct degeneracy, which can be difficult in DFT due to the nonlinearity of the current exchange-correlation functionals. The second section of this dissertation regard vibrational dynamics. There is a multitude of methods for computing the vibrational frequency, but very few that simultaneously model anharmonicity and nuclear quantum effects in a manner that is efficient enough for computing frequency trajectories. Quantum vibration perturbation (QVP) theory satisfies all three of these criteria. This is accomplished by utilizing two approximations: (1) A discrete variable representation of the nuclear wave function is used that only requires single point energy calculations to optimize the wave function, (2) Perturbation theory is used to update the wave function across a set of configurations, which circumvents the need to solve the Schrödinger equation. The first application of this model is on hydrochloric acid in minimal solvation shells (water), and acetone bulk solvation dynamics. An implementation strategy is presented that allows for a reference normal mode to be applied across a trajectory. Then QVP is used to probe the condensed phase solvation dynamics of a carbonyl stretch and two silane stretches.

Subjects/Keywords: Electronic Structure; Molecular Dynamics; MSDFT; QVP; Solvatochromism

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APA (6^th Edition):

Grofe, A. (2018). Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/199079

Chicago Manual of Style (16^th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Doctoral Dissertation, University of Minnesota. Accessed January 16, 2021. http://hdl.handle.net/11299/199079.

MLA Handbook (7^th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Web. 16 Jan 2021.

Vancouver:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/11299/199079.

Council of Science Editors:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/199079

Univerzitet u Beogradu

2. Arsovski, Violeta M., 1972-. Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora.

Degree: Tehnološko-metalurški fakultet, 2018, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:15619/bdef:Content/get

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Hemijske nauke - Organska hemija / Chemical Sciences - Organic Chemistry

Predmet istraživanja ove doktorske disertacije bila je eksperimentalna i teorijska analiza strukture hinolonskih azo… (more)

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Hemijske nauke - Organska hemija / Chemical Sciences - Organic Chemistry

Predmet istraživanja ove doktorske disertacije bila je eksperimentalna i teorijska analiza strukture hinolonskih azo boja i njihovih prekursora. U okviru disertacije, izvršena je sinteza azo boja kod kojih je ulogu kuplujuće komponente imao 4-hidroksi- -2-hinolon, dok je diazo komponenta bila odgovarajući p-supstituisan anilin. Najpre je izvršena sinteza serije N,N’-bisarilmalonamida (prekursora hinolona) čija je detaljna analiza (eksperimentalna i teorijska) dala odgovore u vezi sa geometrijom i reaktivnošću ispitivanih prekursora. Proučavan je uticaj supstituenata fenilnog jezgra, na azo-hidrazon tautomeriju u rastvorima (kod azo boja), kao i na geometriju i reaktivnost prekursora (kod N,N’-bisarilmalonamida). Takođe, proučavan je uticaj i rastvarača na formiranje intra- i intermolekulske vodonične veze kod N,N’-bisarilmalonamida. Izvršena je analiza uticaja rastvarača na apsorpcione spektre ispitivanih jedinjenja primenom linearne korelacije energije solvatacije (LSER) uz korišćenje Kamlet-Taftove (Kamlet-Taft) i Katalanove (Catalán) jednačine. Urađena je i optimizacija geometrije ispitivanih jedinjenja i proučeno je prenošenje elektronskih efekata primenom kvantno-hemijskih proračuna (DFT). Sva jedinjenja sintetisana su prema originalnim ili modifikovanim metodama iz literature. Jedinjenja su okarakterisana temperaturama topljenja, UV-Vis, FT-IR, 1H i 13C NMR spektrima i elementarnom analizom. Na osnovu spektralnih podataka utvrđena je struktura tautomernih oblika boja. UV-Vis apsorpcioni maksimumi određeni su u različitim rastvaračima (spektroskopske čistoće). Uticaj supstituenata na prenošenje elektronskih efekata kod N,N’-bisarilmalonamida ispitan je primenom jednoparametarske i dvoparametarske Hametove (Hammett) jednačine, kao i primenom Svain-Luptonove (Swain-Lupton) jednačine. Rezultati dobijeni UV-spektroskopskim merenjima (kod N,N'-bisarilmalonamida) pokazuju, da na položaj UV-apsorpcionih frekvencija mnogo više utiče prisutni supstituent na fenilnom prstenu, nego svojstva rastvarača. Kamlet-Taft analiza je pokazala da solvatohromizam nastaje najvećim delom zbog dipolarnosti/polarizabilnosti rastvarača. Rezultati dobijeni Hametovom jednačinom ukazuju na postojanje proširene delokalizacije. Kvantno mehanički poračuni ukazuju da u zavisnosti od okolnog medijuma molekuli N,N'-bisarilmalonamida mogu imati različitu geometriju. Rezultati dobijeni FT-IR i UV-Vis analizom hinolonskih boja pokazuju postojanje tautomerije kao i dominantnost hidrazo-keto oblika u odnosu na druge. Uticaj supstituenata na fenilnom jezgru na UV-Vis apsorpcione spektre takođe je veći nego uticaj rastvarača. NBO analize daju jasnu sliku o intramolekulskom prenosu naelektrisanja kod ispitivanih jedinjenja u zavisnosti od prisutnih supstituenata...

Advisors/Committee Members: Mijin, Dušan, 1962-.

Subjects/Keywords: Malonamide · Quinolones · Azo dyes · Quantum-chemical calculations · Solvatochromism · Substituent effect

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APA (6^th Edition):

Arsovski, Violeta M., 1. (2018). Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:15619/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Arsovski, Violeta M., 1972-. “Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora.” 2018. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:15619/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Arsovski, Violeta M., 1972-. “Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora.” 2018. Web. 16 Jan 2021.

Vancouver:

Arsovski, Violeta M. 1. Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora. [Internet] [Thesis]. Univerzitet u Beogradu; 2018. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:15619/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Arsovski, Violeta M. 1. Eksperimentalna i kvantno-hemijska proučavanja hinolonskih azo boja i njihovih prekursora. [Thesis]. Univerzitet u Beogradu; 2018. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:15619/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Univerzitet u Beogradu

3. Lazić, Anita, 1988-. Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина.

Degree: Tehnološko-metalurški fakultet, 2018, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:17309/bdef:Content/get

Tehnološko inţenjerstvo - Hemijsko inţenjerstvo / Technical engineering - Chemical engineering

У оквиру проучавања односа структуре и биолошке активности деривата циклоалканспиро-5-хидантоина, у овом раду су синтетисане три нове серије једињења и то: 3-(4-супституисани бензил)циклопентанспиро-5-хидантоини, 3-(4-супституисани бензил)циклохексанспиро-5-хидантоини и 3-(4-супституисани бензил)циклохептанспиро-5-хидантоини...

Advisors/Committee Members: Ušćumlić, Gordana, 1951-.

Subjects/Keywords: Spirohydantoins  Solvatochromism  The crystal structure DFT calculation  Antiproliferative activity

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APA (6^th Edition):

Lazić, Anita, 1. (2018). Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:17309/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Lazić, Anita, 1988-. “Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина.” 2018. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:17309/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Lazić, Anita, 1988-. “Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина.” 2018. Web. 16 Jan 2021.

Vancouver:

Lazić, Anita 1. Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина. [Internet] [Thesis]. Univerzitet u Beogradu; 2018. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:17309/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Lazić, Anita 1. Синтеза, структура и својства потенцијално биолошки активних деривата циклоалканспиро-5-хидантоина. [Thesis]. Univerzitet u Beogradu; 2018. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:17309/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Bucknell University

4. Donovan, Dylan R. Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile.

Degree: 2012, Bucknell University

URL: https://digitalcommons.bucknell.edu/masters_theses/83

► Towards the goal of investigating the possible Twisted Intramolecular Charge Transfer (TICT) state mechanism of fluorescence emission, two aromatic dicyanovinyl compounds, 2-(naphthalene-2-ylmethylene) malononitrile (DCN) and… (more)

Subjects/Keywords: Fluorescence; Solvatochromism; Dicyano Vinyl Compound; Low-Temperature Glass; Chemistry

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APA (6^th Edition):

Donovan, D. R. (2012). Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile. (Thesis). Bucknell University. Retrieved from https://digitalcommons.bucknell.edu/masters_theses/83

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Donovan, Dylan R. “Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile.” 2012. Thesis, Bucknell University. Accessed January 16, 2021. https://digitalcommons.bucknell.edu/masters_theses/83.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Donovan, Dylan R. “Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile.” 2012. Web. 16 Jan 2021.

Vancouver:

Donovan DR. Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile. [Internet] [Thesis]. Bucknell University; 2012. [cited 2021 Jan 16]. Available from: https://digitalcommons.bucknell.edu/masters_theses/83.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Donovan DR. Testing the TICT State Hypothesis: an Investigation into the Solvatochromic Behavior of 2-Naphthalenylmethylene Malononitrile. [Thesis]. Bucknell University; 2012. Available from: https://digitalcommons.bucknell.edu/masters_theses/83

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

5. Zoto, Christopher A. Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones.

Degree: PhD, 2012, Worcester Polytechnic Institute

URL: etd-072712-120208 ; https://digitalcommons.wpi.edu/etd-dissertations/330

► " A series of symmetric and asymmetric 2-arylidene and 2,5-diarylidene cyclopentanone dyes have been synthesized. Their electronic absorption and fluorescence spectra have been measured in… (more)

Subjects/Keywords: photochemistry; solvatochromism; internal charge transfer; photophysical; spectroscopic; ketocyanine dyes

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APA (6^th Edition):

Zoto, C. A. (2012). Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones. (Doctoral Dissertation). Worcester Polytechnic Institute. Retrieved from etd-072712-120208 ; https://digitalcommons.wpi.edu/etd-dissertations/330

Chicago Manual of Style (16^th Edition):

Zoto, Christopher A. “Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones.” 2012. Doctoral Dissertation, Worcester Polytechnic Institute. Accessed January 16, 2021. etd-072712-120208 ; https://digitalcommons.wpi.edu/etd-dissertations/330.

MLA Handbook (7^th Edition):

Zoto, Christopher A. “Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones.” 2012. Web. 16 Jan 2021.

Vancouver:

Zoto CA. Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones. [Internet] [Doctoral dissertation]. Worcester Polytechnic Institute; 2012. [cited 2021 Jan 16]. Available from: etd-072712-120208 ; https://digitalcommons.wpi.edu/etd-dissertations/330.

Council of Science Editors:

Zoto CA. Structural and Photophysical Properties of Internal Charge Transfer 2-Arylidene and 2,5-Diarylidene Cyclopentanones. [Doctoral Dissertation]. Worcester Polytechnic Institute; 2012. Available from: etd-072712-120208 ; https://digitalcommons.wpi.edu/etd-dissertations/330

Indian Institute of Science

6. Venkatraman, Ravi Kumar. Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study.

Degree: PhD, Faculty of Science, 2017, Indian Institute of Science

URL: http://etd.iisc.ac.in/handle/2005/2921

► Solvent effects play diverse roles in myriads of chemical, physical and biological processes. The solvent interacts with the solute by: i) non-specific (Coulombic, van der… (more)

▼ Solvent effects play diverse roles in myriads of chemical, physical and biological processes. The solvent interacts with the solute by: i) non-specific (Coulombic, van der Waals interactions) and ii) specific interactions (hydrogen bonding, etc.). These interactions are responsible for solvation of the solute and are collectively termed as “solvent polarity”. Differential solvation of ground and excited electronic states is manifested in the absorption spectrum as a change in the band position, intensity or shape, which is termed as “solvatochromism”. Intermolecular hydrogen bonding (IHB) is a kind of specific solute-solvent interaction, which plays a key role in molecular or supramolecular photochemistry, as well as in photobiology. Solvation and its influence on various physico-chemical and biological processes can be understood by i) top-down; and ii) bottom-up approaches. In the top-down approach, the macroscopic properties like dielectric constant, refractive index are used to understand the microscopic solvation. This approach fails when specific interactions like hydrogen bonding interactions come into play, and furthermore it can reproduce only the macroscopic polarization of the solvent but fails miserably at the cybotactic region of solvation. With the recent advancements in the computational field, the molecular level description of solvation has been within reach for chemical physicists and experimentalists to corroborate their experimental results and in turn to visualize processes of fundamental or technologically relevant problems. The energy levels of the nπ* and ππ* singlet and triplet excited states of aromatic ketones are close-lying and therefore their energy levels can be altered by the substituents. The solvent polarity can be used as a surrogate to tune their energy levels. In certain cases, the lowest triplet or singlet excited states can switch their electronic character with increasing solvent polarity known as “electronic state switching” and thus modulate their photochemical or photophysical properties. Therefore, aromatic ketones were used as solvatochromic probes in this work. Comprehensive analyses of the solvent effects on xanthone (XT), 9,10-phenanthrenequinone (PQ) and benzophenone (Bzp) were carried out using steady-state and nanosecond time-resolved absorption, and resonance Raman spectroscopy in conjunction with ad hoc and classical-molecular dynamics and simulations generated supermolecule-continuum solvent model quantum mechanical calculations to corroborate the experimental outcomes and in turn to visualize the solvation process at the molecular level. The present thesis is divided into eight chapters and the summary of each chapter is described below: Chapter 1 provides a brief literature review of solvation effects and their influence on various physico-chemical and biological processes. Furthermore, the importance of understanding solvation at the molecular level and key concepts are discussed, which forms the heart of this thesis. Chapter 2 discusses the experimental and… Advisors/Committee Members: Umapathy, Siva (advisor).

Subjects/Keywords: Aromatic Carbonyls; Photophysics; Solvatochromism; Solvation; Aromatic Ketones; Raman Spectroscopy; Resonance Raman Theory; Time-Resolved Spectroscopy; Computational Chemistry; Intermolecular Hydrogen Bonding; Solvatochromism; Photochemistry; Inorganic Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Venkatraman, R. K. (2017). Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study. (Doctoral Dissertation). Indian Institute of Science. Retrieved from http://etd.iisc.ac.in/handle/2005/2921

Chicago Manual of Style (16^th Edition):

Venkatraman, Ravi Kumar. “Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study.” 2017. Doctoral Dissertation, Indian Institute of Science. Accessed January 16, 2021. http://etd.iisc.ac.in/handle/2005/2921.

MLA Handbook (7^th Edition):

Venkatraman, Ravi Kumar. “Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study.” 2017. Web. 16 Jan 2021.

Vancouver:

Venkatraman RK. Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study. [Internet] [Doctoral dissertation]. Indian Institute of Science; 2017. [cited 2021 Jan 16]. Available from: http://etd.iisc.ac.in/handle/2005/2921.

Council of Science Editors:

Venkatraman RK. Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study. [Doctoral Dissertation]. Indian Institute of Science; 2017. Available from: http://etd.iisc.ac.in/handle/2005/2921

7. Silva, Carlos Eduardo Bistafa da. Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos.

Degree: Mestrado, Física, 2011, University of São Paulo

URL: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-31032011-134135/ ;

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A molécula 5-fluorouracil (5FU) é muito utilizada em tratamentos de câncer. Seu espectro de absorção é caracterizado por duas bandas de diferentes intensidades, as transições… (more)

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A molécula 5-fluorouracil (5FU) é muito utilizada em tratamentos de câncer. Seu espectro de absorção é caracterizado por duas bandas de diferentes intensidades, as transições n-p* e p-p*, e seu estudo em diferentes solventes é de considerável importância para compreender a fotofísica do estado excitado. Este é o primeiro passo essencial para obter a caracterização da dinâmica de emissão. Neste trabalho, nós estudamos teoricamente o espectro de absorção da 5FU em dois solventes, água e acetonitrila, usando o método Sequential Quantum Mechanics/ Molecular Mechanics (SQM/MM). Uma etapa importante para uma simulação realista é a polarização do soluto pelo solvente. Neste estudo, esta polarização foi obtida usando dois modelos: Polarizable Continuum Model (PCM), que é uma alternativa simples e um método iterativo usando Average Solvent Electrostatic Configuration (ASEC). Após isso, simulações usando Monte Carlo Metrópolis no ensemble NVT em condições normais de temperatura e pressão foram realizadas e configurações estatisticamente descorrelacionadas separadas para subsequentes cálculos de Mecânica Quântica usando diversos métodos: Configuration Interaction (CI), Time Dependent Density Functional Theory (TD-DFT) e um método semi-empírico (INDO/CIS). Os espectros calculados em ambos os solventes foram obtidos em mais de uma aproximação: contínua, discreta e explícita. Os resultados estão em boa concordância com os valores experimentais e enfatizam a importância da inclusão de moléculas de solvente explícitas nos cálculos. Nós especialmente notamos que em solventes, a transição n-p* é deslocada para o azul enquanto a transição p-p* é deslocada para o vermelho, indicando uma tendência para reversão dessas duas bandas se comparadas à fase gasosa. Isto aponta para diferenças na fotofísica, dependendo da polaridade do solvente. Os resultados também permitem uma avaliação dos diferentes procedimentos teóricos utilizados.

The 5-fluorouracil molecule is very used in cancer treatment. Its absorption spectrum is characterized by two broad bands of different intensities, the n-p* and p-p* transitions, and its study in different solvents is of considerable importance for the understanding of the photophysics of the excited state. It is the first essential step for obtaining the characterization of the emission dynamics. In this work we have theoretically studied the absorption spectrum of 5FU in two solvents, water and acetonitrile, using the Sequential Quantum Mechanics/Molecular Mechanics method (SQM/MM). An important step for a realistic simulation is the polarization of the solute by the solvent. In this study, this polarization was obtained by using two models: Polarizable Continuum Model (PCM), which is a simple alternative, and an iterative method using the Average Solvent Electrostatic Configuration (ASEC). After this, Monte Carlo Metropolis simulations in the NVT ensemble in normal conditions of temperature and pressure were made and statistically uncorrelated configurations sampled for the subsequent Quantum Mechanics…

Advisors/Committee Members: Canuto, Sylvio Roberto Accioly.

Subjects/Keywords: 5-fluorouracil; 5-fluorouracil; Absorção; Absorption; Polarização; Polarization; Solvatochromism; Solvatocromismo; SQM/MM; SQM/MM

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APA (6^th Edition):

Silva, C. E. B. d. (2011). Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/43/43134/tde-31032011-134135/ ;

Chicago Manual of Style (16^th Edition):

Silva, Carlos Eduardo Bistafa da. “Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos.” 2011. Masters Thesis, University of São Paulo. Accessed January 16, 2021. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-31032011-134135/ ;.

MLA Handbook (7^th Edition):

Silva, Carlos Eduardo Bistafa da. “Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos.” 2011. Web. 16 Jan 2021.

Vancouver:

Silva CEBd. Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos. [Internet] [Masters thesis]. University of São Paulo; 2011. [cited 2021 Jan 16]. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-31032011-134135/ ;.

Council of Science Editors:

Silva CEBd. Efeito de solvente no espectro de absorção da 5-fluorouracil. Análise de diferentes procedimentos teóricos. [Masters Thesis]. University of São Paulo; 2011. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-31032011-134135/ ;

Univerzitet u Beogradu

8. Mirković, Jelena, 1985-. Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona.

Degree: Tehnološko-metalurški fakultet, 2016, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:11373/bdef:Content/get

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Hemijske nauke - Organska hemija / Chemical Sciences - Organic Chemistry

U okviru disertacije, sintetisane su tri serije arilazo piridonskih boja: 5-(arilazo)- 3-cijano-1-etil-6-hidroksi-4-metil-2-piridoni, 5-(arilazo)-3-cijano-6-hidroksi-4-metil-2- -piridoni… (more)

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Hemijske nauke - Organska hemija / Chemical Sciences - Organic Chemistry

U okviru disertacije, sintetisane su tri serije arilazo piridonskih boja: 5-(arilazo)- 3-cijano-1-etil-6-hidroksi-4-metil-2-piridoni, 5-(arilazo)-3-cijano-6-hidroksi-4-metil-2- -piridoni i 5-(4-arilazo)-3-cijano-6-hidroksi-1-hidroksietil-4-metil-2-piridoni. Predmet istraživanja je potpuna strukturna i solvatohromna karakterizacija sintetisanih jedinjenja kombinacijom eksperimentalnih tehnika i kvantno-hemijskih proračuna. Eksperimentalne metode podrazumevaju rendgensku strukturnu analizu i FT-IR, NMR i UV-Vis spektoskopiju. Energija, geometrijske strukture i vibracioni talasni brojevi 5-(metoksi supstituisanih fenilazo)-3-cijano-1-etil-6-hidroksi-4-metil-2-piridona dobijeni su kvantno-hemijskim proračunom, korišćenjem B3LYP, M06 i M06-2X modela, a stabilnost ovih molekula, kao posledica hiperkonjugativnih interakcija i delokalizacije naelektrisanja, izučavana je pomoću NBO analize. Optimizovane geometrije 5-(arilazo)- -3-cijano-1-etil-6-hidroksi-4-metil-2-piridona u vakuumu dobijene su pomoću B3LYP/6-311++G(d,p) metode. UV-Vis apsorpcione energije za ista jedinjenja dobijene su pomoću vremenski zavisne DFT metode (TD-DFT). Simulacija je izvedena pomoću četiri modela: B3LYP, CAM-B3LYP, M06-2X i PBE0. UV-Vis spektralna svojstva jedinjenja i tautomerija detaljno su ispitani u dva rastvarača i to u etanolu i N,N-dimetilformamidu. Analizirani su UV-Vis apsorpcioni spektri u različitim rastvaračima i ispitivan je njihov uticaj na položaj apsorpcionih maksimuma. Takođe, ispitivan je uticaj prirode i položaja supstituenata u fenilnom jezgru i različitih supstituenata u položaju 1 piridonovog jezgra na apsorpcione spektre. Za kvantitativnu ocenu uticaja rastvarača na apsorpcione maksimume svih jedinjenja, primenjeni su principi LSER analize, i to Kamlet-Taft-ov i Catalán-ov model. Kvantitativna analiza uticaja supstituenata na apsorpcione maksimume 5-(4-arilazo)-3- -cijano-6-hidroksi-1-hidroksietil-4-metil-2-piridona urađena je pomoću LFER modela i to primenom Hammett-ove jednačine. Pored toga, LFER model je primenjen i u ispitivanju uticaja elektronskih efekata supstituenata na 1H and 13C NMR pomeraje,...

Advisors/Committee Members: Mijin, Dušan, 1962-.

Subjects/Keywords: Pyridones · Azo dyes · Azo-hidrazone tautomerism · Quantum-chemical calculations · Solvatochromism · Substituent effect · Voltammetry · Electrolysis.

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Mirković, Jelena, 1. (2016). Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:11373/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Mirković, Jelena, 1985-. “Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona.” 2016. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:11373/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Mirković, Jelena, 1985-. “Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona.” 2016. Web. 16 Jan 2021.

Vancouver:

Mirković, Jelena 1. Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona. [Internet] [Thesis]. Univerzitet u Beogradu; 2016. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:11373/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mirković, Jelena 1. Strukturne i solvatohromne karakteristike 5-(arilazo)-3-cijano-6-hidroksi-4metil-1-supstituisanih-2-piridona. [Thesis]. Univerzitet u Beogradu; 2016. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:11373/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Univerzitet u Beogradu

9. Trišović, Nemanja P., 1983-. Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје.

Degree: Tehnološko-metalurški fakultet, 2014, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get

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Hеmiја - Оrgаnskа hеmiја / Chemistry - Organic chemistry

U cilјu prоučаvаnjа еfеkаtа sоlvаtаciје nа fаrmаkоlоškа svојstvа dеrivаtа hidаntоinа u оvоm rаdu su sintеtisаnе dvе… (more)

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Hеmiја - Оrgаnskа hеmiја / Chemistry - Organic chemistry

U cilјu prоučаvаnjа еfеkаtа sоlvаtаciје nа fаrmаkоlоškа svојstvа dеrivаtа hidаntоinа u оvоm rаdu su sintеtisаnе dvе sеriје јеdinjеnjа: а) 5-supstituisаni-5-fеnilhidаntоini, kојu čini 11 dеrivаtа, kоd kојih su rаzličitе аlkil-, ciklоаlkil- i аril-grupе (mеtil, еtil, n-prоpil, izоprоpil, n-butil, izоbutil, terc-butil, ciklоpеntil, ciklоhеksil, fеnil i bеnzil) uvеdеnе u pоlоžај 5 hidаntоinskоg prstеnа; b) 3,5-disupstituisаni-5-fеnilhidаntоini, kојu čini 25 dеrivаtа, kоd kојih su rаzličitе аlkil-, ciklоаlkil-, аlkеnil- i аril-grupе (mеtil, еtil, n-prоpil, izоprоpil, аlil, n-butil, izоbutil, terc-butil, ciklоpеntil, ciklоhеksil, fеnil i bеnzil) uvеdеnе u pоlоžаје 3 i 5 hidаntоinskоg prstеnа. Svа јеdinjеnjа su sintеtisаnа prеmа pоstupcimа оpisаnim u litеrаturi ili njihоvim mоdifikаciјаmа i оkаrаktеrisаnа оdrеđivаnjеm tеmpеrаturе tоplјеnjа, kао i UV, FTIR, 1H i 13C NMR spеktrоskоpiјоm, а njihоvа čistоćа је utvrđеnа pоmоću HPLC-а. Аpsоrpciоni mаksimumi prоučаvаnih dеrivаtа hidаntоinа оdrеđеni su u 15 rаstvаrаčа rаzličitе pоlаrnоsti u оpsеgu tаlаsnih dužinа оd 200 dо 400 nm. Dа bi sе idеntifikоvаli еlеktrоnski prеlаzi kојi sе оdigrаvајu pri аpsоrpciјi zrаčеnjа, izvršеnа su kvаntnоhеmiјskа izrаčunаvаnjа: ab initio, pоmоću prоgrаmskоg pаkеtа Gaussian03, i sеmiеmpiriјski prоrаčun, pоmоću prоgrаmskоg pаkеtа MOPAC 2009. Kvаntitаtivnа prоcеnа uticаја rаstvаrаčа nа pоmеrаnjе аpsоrpciоnih mаksimumа izvršеnа је primеnоm mеtоdа linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје (LSER), оdnоsnо Kаmlеt–Таftоvоm јеdnаčinоm. Оsnоvа zа rаzumеvаnjе еfеkаtа sоlvаtаciје nа fаrmаkоlоškа svојstvа prоučаvаnih dеrivаtа hidаntоinа pоstаvlјеnа је kоrеlisаnjеm pоdаtаkа, kојi izrаžаvајu uticај rаstvаrаčа nа pоmеrаnjе аpsоrpciоnih mаksimumа, i pаrаmеtrа lipоfilnоsti (log P), kао i mоlеkulskih dеskriptоrа, kојi оpisuјu intеstinаlnu аpsоrpciјu (%Abs.), spоsоbnоst prоdirаnjа krоz krvnо–mоždаnu bаriјеru (log BB) i vеzivаnjе zа prоtеinе plаzmе (log kA). Vrеdnоsti log P su izrаčunаtе primеnоm prоgrаmskоg pаkеtа ACD Solaris v. 4.67, а mоlеkulski dеskriptоri, kојi оpisuјu оdgоvаrајućа ADMET svојstvа, primеnоm prоgrаmskоg pаkеtа ChemSilico. Оslаnjајući sе nа Аbrаhаmоv pristup u prоcеni еfеkаtа sоlvаtаciје, prikаzаnа је i diskutоvаnа vеzа izmеđu fаrmаkоlоški rеlеvаntnih svојstаvа i rаzličitih tipоvа intеrаkciја izmеđu mоlеkulа rаstvаrаčа i rаstvоrеnе supstаncе. Dоbiјеni rеzultаti su pоkаzаli dа su prоučаvаni dеrivаti hidаntоinа ispunili fаrmаkоkinеtičkе uslоvе dа budu kаndidаti zа lеkоvе i kvаlifikоvаli sе zа fаrmаkоdinаmičku fаzu ispitivаnjа. Аntikоnvulzivnа аktivnоst čеtiri 3,5-disupstituisаnа-5-fеnilhidаntоinа, čiје su lipоfilnоsti sličnе lipоfilnоsti fеnitоinа, оdrеđеnа је nа pаcоvimа Vistаr sоја u s.c. PTZ i i.v. PTZ tеstоvimа. Rеndgеnskа strukturnа аnаlizа tri јеdinjеnjа pоkаzаlа је dа pоstојi kvаlitаtivnа kоrеlаciја izmеđu mеđumоlеkulskih intеrаkciја u kristаlnоm stаnju i intеrаkciја sа biоlоškim rеcеptоrоm, kоје su оdgоvоrnе zа njihоvu аntikоnvulzivnu аktivnоst. Јеdinо kоd…

Advisors/Committee Members: Ušćumlić, Gordana, 1951-.

Subjects/Keywords: Hydantoins; solvatochromism; lipophilicity; ADMET properties; anticonvulsant Activity; crystal structure; antiproliferative activity; antibacterial activity

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Trišović, Nemanja P., 1. (2014). Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Trišović, Nemanja P., 1983-. “Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје.” 2014. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Trišović, Nemanja P., 1983-. “Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје.” 2014. Web. 16 Jan 2021.

Vancouver:

Trišović, Nemanja P. 1. Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје. [Internet] [Thesis]. Univerzitet u Beogradu; 2014. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Trišović, Nemanja P. 1. Prоučаvаnjе uticаја strukturе nа аntikоnvulzivnu аktivnоst 3,5-disupstituisаnih-5-fеnilhidаntоinа mеtоdоm linеаrnе kоrеlаciје еnеrgiје sоlvаtаciје. [Thesis]. Univerzitet u Beogradu; 2014. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Central Florida

10. Moreshead, William. Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior.

Degree: 2013, University of Central Florida

URL: https://stars.library.ucf.edu/etd/2891

► The discovery of any new technology is usually accompanied by a need for new or improved materials which make that technology useful in practical applications.… (more)

Subjects/Keywords: Squaraines; two photon absorption; photophysical properties; solvatochromism; Chemistry; Dissertations, Academic – Sciences, Sciences – Dissertations, Academic

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Moreshead, W. (2013). Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior. (Doctoral Dissertation). University of Central Florida. Retrieved from https://stars.library.ucf.edu/etd/2891

Chicago Manual of Style (16^th Edition):

Moreshead, William. “Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior.” 2013. Doctoral Dissertation, University of Central Florida. Accessed January 16, 2021. https://stars.library.ucf.edu/etd/2891.

MLA Handbook (7^th Edition):

Moreshead, William. “Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior.” 2013. Web. 16 Jan 2021.

Vancouver:

Moreshead W. Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior. [Internet] [Doctoral dissertation]. University of Central Florida; 2013. [cited 2021 Jan 16]. Available from: https://stars.library.ucf.edu/etd/2891.

Council of Science Editors:

Moreshead W. Enhanced Two-photon Absorption In A Squaraine-fluorene-squaraine Dye: Design, Synthesis, Photophysical Properties, And Solvatochromic Behavior. [Doctoral Dissertation]. University of Central Florida; 2013. Available from: https://stars.library.ucf.edu/etd/2891

11. Lopes, José Guilherme da Silva. Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes.

Degree: PhD, Físico-Química, 2007, University of São Paulo

URL: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23072007-102123/ ;

►

No presente trabalho utilizamos as espectroscopias eletrônica e vibracional, com o apoio de simulação computacional de líquidos para estudar o comportamento solvatocrômico e ionocrômico de… (more)

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No presente trabalho utilizamos as espectroscopias eletrônica e vibracional, com o apoio de simulação computacional de líquidos para estudar o comportamento solvatocrômico e ionocrômico de diaminoantraquinonas. Adicionalmente estudamos a potencialidade da 1,2-diaminoantraquinona (1,2-DAAQ) no reconhecimento de ânions em superfícies de prata. Utilizando espectroscopia de absorção obtivemos espectros da 1,2-DAAQ e alguns isômeros em diversos solventes. Estes resultados foram analisados por métodos empíricos de solvatocromismo, principalmente, pela escala solvatocrômica de Kamlet-Taft. Esta análise nos propiciou um conhecimento preciso sobre o comportamento da 1,2-DAAQ em meio solvente e serviu de suporte para o estudo do ionocromismo, e da interação com as superfícies. Através da simulação computacional geramos estruturas de soluções da 1,2-DAAQ em três solventes e analisamos a estrutura destas soluções via análise das Funções de Distribuição Radial de pares, o que nos possibilitou uma visão no nível microscópico do efeito das interações com o solvente. As estruturas geradas serviram de base para o cálculo do espectro de absorção para comparação com os valores experimentais. Baseado nesta comparação foi possível especular que a estrutura da 1,2-DAAQ é afetada pelo solvente no estado excitado. Utilizando espectroscopia no infravermelho e eletrônica foi possível caracterizar o tipo de interação entre a 1,2-DAAQ e o ânion fluoreto, como sendo por ligação de hidrogênio de força moderada. A atribuição vibracional da 1,2-DAAQ foi realizada com base nos espectros Raman, auxiliada por cálculos de freqüência. A atribuição foi utilizada para a determinação da orientação da 1,2-DAAQ nas superfícies de prata e principalmente para estudar a natureza desta interação. A análise destes resultados nos permitiu traçar um panorama bastante claro sobre esta interação além de auxiliar no entendimento do uso da 1,2-DAAQ como sonda aniônica de superfícies. Finalmente, através da espectroscopia Raman ressonante foi possível confirmar e detalhar a atribuição da transição eletrônica observada na região do visível, característica das diaminoantraquinonas.

In the present work, the ionochromic and solvatochromic behavior of several diaminoantraquinones were investigated by means of optical and vibrational spectroscopies, alongside computational simulation. The UV-Vis spectra of 1,2- diaminoantraquinone (1,2-DAAQ) were analyzed using empirical solvatochromic scales, like the Kamlet-Taft. Such analysis enabled an accurate description of its solvatochromic behavior that was instrumental to understand its interaction with anions and metallic surfaces. Computational simulation provided the structures of 1,2-DAAQ solutions in three different solvents, and the analyses of the radial distribution functions revealed a microscopic view of its interactions with the solvents. The obtained structures were the departing points for the calculation of the electronic spectrum, then compared with the experimental one. The results suggest that the structure…

Advisors/Committee Members: Santos, Paulo Sergio.

Subjects/Keywords: Diaminoanthraquinone; Diaminoantraquinonas; Electronic spectroscopy; Espectroscopia eletrônica; Espectroscopia vibracional; Interações Intermoleculares; Intermolecular interaction; Ionochromism; Ionocromismo; Solvatochromism; Solvatocromismo; Vibrational spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lopes, J. G. d. S. (2007). Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23072007-102123/ ;

Chicago Manual of Style (16^th Edition):

Lopes, José Guilherme da Silva. “Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes.” 2007. Doctoral Dissertation, University of São Paulo. Accessed January 16, 2021. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23072007-102123/ ;.

MLA Handbook (7^th Edition):

Lopes, José Guilherme da Silva. “Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes.” 2007. Web. 16 Jan 2021.

Vancouver:

Lopes JGdS. Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes. [Internet] [Doctoral dissertation]. University of São Paulo; 2007. [cited 2021 Jan 16]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23072007-102123/ ;.

Council of Science Editors:

Lopes JGdS. Espectroscopia vibracional e eletrônica de Diaminoantraquinonas como sondas de microambientes. [Doctoral Dissertation]. University of São Paulo; 2007. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23072007-102123/ ;

University of Michigan

12. Rudalevige, Trevor D. The study of fullerene aggregates in solution.

Degree: PhD, Pure Sciences, 1998, University of Michigan

URL: http://hdl.handle.net/2027.42/131525

► The electronic spectra of C₆₀ and C₇₀ exhibit extreme solvatochromism and other environmental effects. These arise, in part, because the fullerenes are good electrophiles and… (more)

▼ The electronic spectra of C₆₀ and C₇₀ exhibit extreme solvatochromism and other environmental effects. These arise, in part, because the fullerenes are good electrophiles and may form both ground and excited state complexes with π-electron donating aromatic solvents. However, solute aggregation also profoundly affects the electronic spectra of these species. In this work, we focus on the phenomenon of fullerene aggregate formation in solution and its effect on the electronic spectra of the fullerenes. Aggregates are distinguished from precipitate by characteristic size and their stability in solution. The aggregates may also have a structure distinct from the crystalline phase and may carry charge. We have used both static and dynamic Rayleigh Scattering to examine the growth kinetics and structure of the aggregates and photoluminescence spectroscopy to study the photophysics of the aggregates. In single solvent systems, aggregation was sensitive to the container surface and was inhibited by the addition of a radical scavenger suggesting a radical mechanism of growth. The aggregates continued growing until precipitating from solution at ∼800 nm in diameter. In polar, binary mixed-solvents, aggregation occurred quickly and was dependent on the specific mixture and the fullerene concentration. The most stable solutions were 90% acetonitrile or methanol and 10% toluene and contained negatively charged aggregates ∼200 nm in diameter. The photoluminescence spectra of the aggregate solutions contain spectral features similar to features seen in the spectra of solid fullerene and are assigned to excimer emission. TEM images and diffraction patterns show that the aggregates consist of a number of crystallites. The C₆₀ aggregates have the same crystal structure as the powder while the C₇₀ aggregates' diffraction pattern does not correspond to structures reported for C₇₀ crystals. This work shows that aggregation must be taken into account when studying fullerene properties, even in dilute solutions and that many of the discrepancies in the literature can be attributed to aggregation. Advisors/Committee Members: Francis, Anthony H. (advisor).

Subjects/Keywords: Aggregates; Electronic Spectra; Fullerene; Solution Aggregation; Solvatochromism; Study

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APA (6^th Edition):

Rudalevige, T. D. (1998). The study of fullerene aggregates in solution. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/131525

Chicago Manual of Style (16^th Edition):

Rudalevige, Trevor D. “The study of fullerene aggregates in solution.” 1998. Doctoral Dissertation, University of Michigan. Accessed January 16, 2021. http://hdl.handle.net/2027.42/131525.

MLA Handbook (7^th Edition):

Rudalevige, Trevor D. “The study of fullerene aggregates in solution.” 1998. Web. 16 Jan 2021.

Vancouver:

Rudalevige TD. The study of fullerene aggregates in solution. [Internet] [Doctoral dissertation]. University of Michigan; 1998. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/2027.42/131525.

Council of Science Editors:

Rudalevige TD. The study of fullerene aggregates in solution. [Doctoral Dissertation]. University of Michigan; 1998. Available from: http://hdl.handle.net/2027.42/131525

13. Moyon, N Shaemningwar. Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;.

Degree: Physical Chemistry, 2011, North-Eastern Hill University

URL: http://shodhganga.inflibnet.ac.in/handle/10603/5281

None

References p. 133-141, Synopsis included, List of publications p. 144-145

Advisors/Committee Members: Mitra, Sivaprasad.

Subjects/Keywords: Physical Chemistry; Molecular Fluorescence; Electromagnetic Radiation; Solvatochromism

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APA (6^th Edition):

Moyon, N. S. (2011). Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;. (Thesis). North-Eastern Hill University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/5281

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Moyon, N Shaemningwar. “Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;.” 2011. Thesis, North-Eastern Hill University. Accessed January 16, 2021. http://shodhganga.inflibnet.ac.in/handle/10603/5281.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Moyon, N Shaemningwar. “Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;.” 2011. Web. 16 Jan 2021.

Vancouver:

Moyon NS. Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;. [Internet] [Thesis]. North-Eastern Hill University; 2011. [cited 2021 Jan 16]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/5281.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Moyon NS. Solvatochromism and Photophysical Properties of Alloxazine Derivatives in Homogeneous Solvents and Supramolecular Assemblies;. [Thesis]. North-Eastern Hill University; 2011. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/5281

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

14. Alimmari Adel. Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones.

Degree: PhD, Technology and Metallurgy, 2013, University of Belgrade

URL: http://dx.doi.org/10.2298/BG20130619ALIMMARI ; http://eteze.bg.ac.rs/application/showtheses?thesesId=320 ; https://fedorabg.bg.ac.rs/fedora/get/o:5778/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=43570703

►

Three series of some novel arylazo pyridone dyes, 5-arylazo-6-hydroxy-4-phenyl- 3-cyano-2-pyridone dyes, 5-arylazo-6-hydroxy-4-(4-metoxyphenyl)-3-cyano-2-pyridone dyes and 5-arylazo-6-hydroxy-4-(4-nitrophenyl)-3-cyano-2-pyridone dyes have been synthetized. The structure of the dyes was… (more)

▼

Three series of some novel arylazo pyridone dyes, 5-arylazo-6-hydroxy-4-phenyl- 3-cyano-2-pyridone dyes, 5-arylazo-6-hydroxy-4-(4-metoxyphenyl)-3-cyano-2-pyridone dyes and 5-arylazo-6-hydroxy-4-(4-nitrophenyl)-3-cyano-2-pyridone dyes have been synthetized. The structure of the dyes was confirmed by UV-Vis, FTIR, 1H NMR and 13C NMR spectroscopy and elemental analysis. The solvatochromic behavior of the dyes was evaluated with respect to their visible absorption properties in various solvents. The azo-hydrazone tautomeric equilibration was found to depend on the substituents as well as on the solvent. These dyes exist in the hydrazone form in the solid state and in solvent DMSO-d6 and there was an equilibrium between hydrazone form and azo form in the different solvents. The Kamlet-Taft and Catalan parameters were used for describing the solutesolvent interactions and solvatochromic shifts of the visible absorption band. It was found that the solute dipolarity / polarizability (especially polarizability by Catalan equation) play an important role in the description of the pronounced solvatochromism in the studied solutions. The Catalan solvent scales were found to be more suitable for describing the solvatochromic shifts. The geometry data of the investigated dyes were obtained using DFT quantumchemical calculations. The obtained calculational results are in very good agreement with the experimental data.

U okviru proučavanja strukture i karakteristika azo piridonskih boja, u čvrstom stanju i u rastvoru, su sintetisane tri nove serije arilazo piridonskih boja koje do sada nisu poznate u literaturi: 5-arilazo-6-hidroksi-4-fenil-6-cijano-2-piridonske boje, 5-arilazo-6- hidroksi-4-(4-metoksifenil)-6-cijano-2-piridonske boje i 5-arilazo-6-hidroksi-4-(4- nitrofenil)-6-cijano-2-piridonske boje. Sve azo boje su sintetisane diazotovanjem odgovarajućih 4-supstituisanih anilina i kuplovanjem dobijenih diazo soli sa odgovarajućim piridonima, prethodno dobijenim iz odgovarajućih etil-4-supstituisanih benzoilacetata i cijanoacetamida. Struktura sintetisanih azo boja je potrvđena na osnovu podataka iz UV-vis, FTIR, 1H NMR i 13C NMR spektara. Solvatohromna svojstva su određena u odnosu na njihovu apsorpciju u vidljivom delu UV-Vis spektra u različitim rastvaračima. Efekti polarnosti rastvarača, proton-donorske i proton-akceptorske karakteristike interakcije rastvarač-rastvorena supstanca su kvantitativno procenjene Kamlet-Taft-ovim i Catalan-ovim solvatohromnim modelima. Proučavanje uticaja supstituenata na arilazo komponenti na azo-hidrazon tautomeriju sintetisanih boja izvršeno je korelacijom UV-Vis apsorpcionih frekvenci Hammett-ovom jednačinom. Azo boje sintetizovane u ovoj disertaciji mogu postojati u azo i hidrazon tautomernim oblicima. Na azo-hidrazon ravnotežu veliki uticaj imaju rastvarači i supstituenti prisutni u arilazo komponenti. Rezultati ostvareni u ovom radu ukazuju na dominantan hidrazonski tautomerni oblik, kako u čvrstom stanju tako i u rastvorima azo boja u ratsvaračima…

Subjects/Keywords: arylazo pyridone dyes; tautomerism; solvent effects; substituent effects; solvatochromism; arilazo piridonske boje; tautomerija; uticaj rastvarača; uticaj supstituenata; solvatohromizam

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Adel, A. (2013). Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones. (Doctoral Dissertation). University of Belgrade. Retrieved from http://dx.doi.org/10.2298/BG20130619ALIMMARI ; http://eteze.bg.ac.rs/application/showtheses?thesesId=320 ; https://fedorabg.bg.ac.rs/fedora/get/o:5778/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=43570703

Chicago Manual of Style (16^th Edition):

Adel, Alimmari. “Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones.” 2013. Doctoral Dissertation, University of Belgrade. Accessed January 16, 2021. http://dx.doi.org/10.2298/BG20130619ALIMMARI ; http://eteze.bg.ac.rs/application/showtheses?thesesId=320 ; https://fedorabg.bg.ac.rs/fedora/get/o:5778/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=43570703.

MLA Handbook (7^th Edition):

Adel, Alimmari. “Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones.” 2013. Web. 16 Jan 2021.

Vancouver:

Adel A. Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones. [Internet] [Doctoral dissertation]. University of Belgrade; 2013. [cited 2021 Jan 16]. Available from: http://dx.doi.org/10.2298/BG20130619ALIMMARI ; http://eteze.bg.ac.rs/application/showtheses?thesesId=320 ; https://fedorabg.bg.ac.rs/fedora/get/o:5778/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=43570703.

Council of Science Editors:

Adel A. Synthesis, structure and solvatochromism of new 5-(4-substituted phenylazo)-4-(4-substituted phenyl)-6-hydroxy-3-cyano-2-pyridones. [Doctoral Dissertation]. University of Belgrade; 2013. Available from: http://dx.doi.org/10.2298/BG20130619ALIMMARI ; http://eteze.bg.ac.rs/application/showtheses?thesesId=320 ; https://fedorabg.bg.ac.rs/fedora/get/o:5778/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=43570703

Univerzitet u Beogradu

15. Rančić, Milica. 1973-. Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona.

Degree: Tehnološko-metalurški fakultet, 2016, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/get

Hemija i hemijska tehnologija - Organska hemija / Chemistry and Chemical Technology - Organic Chemistry Advisors/Committee Members: Marinković, Aleksandar, 1970-.

Subjects/Keywords: 5-Arylidene-2,4-thiazolidindione; Substituent effect; Absorption spectra; Solvatochromism, LFER; Yukawa-Tsuno model; Quantum-chemical calculation, Michel adition; Electrophilicity parameter

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APA (6^th Edition):

Rančić, M. 1. (2016). Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Rančić, Milica 1973-. “Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona.” 2016. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Rančić, Milica 1973-. “Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona.” 2016. Web. 16 Jan 2021.

Vancouver:

Rančić M1. Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona. [Internet] [Thesis]. Univerzitet u Beogradu; 2016. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Rančić M1. Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona. [Thesis]. Univerzitet u Beogradu; 2016. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Univerzitet u Beogradu

16. Marković, Jelena M. 1985-. Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom.

Degree: Tehnološko-metalurški fakultet, 2016, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:12879/bdef:Content/get

►

Hemija - Organska hemija / Chemistry - Organic chemistry

U cilju proučavanja odnosa strukture i svojstava tečnih kristala, u okviru ove disertacije sintetisane su tri… (more)

Subjects/Keywords: liquid crystals; bent-core mesogens; pyridine; B1 mesophase; B7 mesophase; SAXS; DFT; solvatochromism; fluorescence; conformational analysis

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APA (6^th Edition):

Marković, J. M. 1. (2016). Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:12879/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Marković, Jelena M 1985-. “Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom.” 2016. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:12879/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Marković, Jelena M 1985-. “Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom.” 2016. Web. 16 Jan 2021.

Vancouver:

Marković JM1. Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom. [Internet] [Thesis]. Univerzitet u Beogradu; 2016. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:12879/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Marković JM1. Proučavanje strukture i svojstava tečnih kristala oblika banane sa piridinom kao centralnim prstenom. [Thesis]. Univerzitet u Beogradu; 2016. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:12879/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Univerzitet u Beogradu

17. Božić, Aleksandra R., 1985-. N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost.

Degree: Tehnološko-metalurški fakultet, 2017, Univerzitet u Beogradu

URL: https://fedorabg.bg.ac.rs/fedora/get/o:16676/bdef:Content/get

►

Hemijske nauke-Organska hemija / Chemical Sciences-Organic Chemistry

U okviru disertacije, sintetisane su dve serije jedinjenja: N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene (dhO) i tiougljene kiseline… (more)

▼

Hemijske nauke-Organska hemija / Chemical Sciences-Organic Chemistry

U okviru disertacije, sintetisane su dve serije jedinjenja: N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene (dhO) i tiougljene kiseline (dhS). Jedan od predmeta istraživanja se odnosio na potpunu strukturnu karakterizaciju N-heteroaromatičnih monohidrazona dihidrazida ugljene kiseline (mh-UK) primenom različitih eksperimentalnih metoda i kvantnohemijskih proračuna. Eksperimentalne metode podrazumevaju rendgensku strukturnu analizu (RSA) i FT-IR (infracrvena spektroskopija sa Furijeovom transformacijom), NMR (nuklearna magnetna rezonancija) i UV-Vis spektoskopiju (ultravioletna-vidljiva spektroskopija). Optimizovane geometrije u vakumu izračunate su pomoću B3LYP/6-311++G(d,p) metode. UV-Vis apsorpcioni spektri, elektronski prelazi i veličine intramolekulskog prenosa naelektrisanja (ICT) su proračunom DCT (rastojanje prenosa naelektrisanja) i QCT (količina prenetog naelektrisanja) vrednosti, kao i AIM (analiza raspodele elektronske gustine na atomima u molekulu) analiza intramolekulske vodonične veze u osnovnom stanju za mh-UK dobijeni pomoću vremenski zavisne DFT metode (TD-DFT, teorija funkcionala gustine u zavisnosti od vremena). Primećeno je da se najjači ICT javlja u E obliku 4-piridinil supstituisanih jedinjenja. Analizirani su UV-Vis apsorpcioni spektri u različitim rastvaračima i ispitivan je njihov uticaj na položaj apsorpcionih maksimuma. Takođe, analiziran je uticaj prirode i položaja supstituenata i ˝aza˝ atoma azota u heteroaromatičnom jezgru i supstituenata na azometisnkom atomu ugljenika na apsorpcione spektre. Za kvantitativnu ocenu uticaja rastvarača na apsorpcione maksimume svih jedinjenja, primenjeni su principi LSER analize (linearna korelacija solvatacionih energija) i to Kamlet-Taft-ovog i Catalán-ovog model. Pozitivan znak koeficijenta a za sva jedinjenja osim za ona koja u svojoj strukturi sadrže hinolinski prsten kod kojih su prisutni supstituenti u položaju 8 ukazuje da je hipsohromni (plavi pomak) uzrokovan veličinom elektron-donorskog efekta supstituenta i jačine vodonične veze koja utiče na elektronsku distribuciju ispitivanih molekula. Dobijeni rezultati ukazuju na bolju stabilizaciju osnovnog stanja u odnosu na pobuđeno stanje...

Advisors/Committee Members: Marinković, Aleksandar D., 1970-.

Subjects/Keywords: N-Heteroaromatic hydrazones; Quantum-chemical calculations; Solvatochromism; Substituent effect; 3D-QSAR; GRIND methodology; Antimicrobial activity; Antioxidant activity; Anticancer activity; HSA.

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Božić, Aleksandra R., 1. (2017). N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:16676/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Božić, Aleksandra R., 1985-. “N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost.” 2017. Thesis, Univerzitet u Beogradu. Accessed January 16, 2021. https://fedorabg.bg.ac.rs/fedora/get/o:16676/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Božić, Aleksandra R., 1985-. “N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost.” 2017. Web. 16 Jan 2021.

Vancouver:

Božić, Aleksandra R. 1. N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost. [Internet] [Thesis]. Univerzitet u Beogradu; 2017. [cited 2021 Jan 16]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:16676/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Božić, Aleksandra R. 1. N-heteroaromatični hidrazoni i dihidrazoni dihidrazida ugljene i tiougljene kiseline:karakterizacija, kvantnomehanička studija i biološka aktivnost. [Thesis]. Univerzitet u Beogradu; 2017. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:16676/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Rochester

18. Schneider, Jacob (1980 - ). Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water.

Degree: PhD, 2009, University of Rochester

URL: http://hdl.handle.net/1802/6456

► The research presented in this thesis has been written in two parts. The first involves the structural and luminescence properties of gold(I) benzimidazolethiolate complexes, discussed… (more)

▼ The research presented in this thesis has been written in two parts. The first involves the structural and luminescence properties of gold(I) benzimidazolethiolate complexes, discussed in chapters 1-3, and the second examines cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water, discussed in chapter 4 - 7. Chapter 1 describes the underlying principles of gold – gold bonding interactions, as well as the effect thiolate donors have on the excited states. Chapters 2 and 3 build on the theories of gold – gold bonding. Chapter 2 examines the structural and photophysical properties of a new series of cationic and neutral Au(I) dinuclear compounds bridged by bis(diphenylphosphino)methane (dppm) and substituted benzimidazolethiolate (X-BIT) ligands, where X = H, Me, OMe, and Cl. The monocationic and neutral complexes have relatively short Au(I) – Au(I) separations ranging between 2.8597(3) and 2.9822(8) Å. The complexes exhibit excited state transitions assigned to IL, MC, LMCT, and LMMCT states. Three of the cationic complexes exhibit unusual <I>luminescence tribochromism</I> in the solid-state. Chapter 3 describes a high-nuclearity cluster composed of twelve Au(I) nuclei, four sulfur donors, and one Ag(I) ion. The cluster, [AgAu₁₂(µ-H-BIT)₈(µ-dppm)₄][CF3CO2]₄[Cl], has an eight-coordinate Ag(I) ion at the core that is bound to four Au(I) nuclei and four sulfur donors. It possesses exceptionally high extinction coefficients in the UV-vis spectrum and has emission maxima of 595, 503, and 464 nm in fluid CH₂Cl₂ solution at room temperature, frozen glass (77 K), and in the solid state at room temperature, respectively. Chapter 4 provides an introduction to the light-driven reduction of water using multiple component systems that contain a visible light sensitizer, an electron transfer mediator, a hydrogen evolving catalyst, and an electron source. Chapter 5 presents a new group of cyclometalated 6-phenyl-4-(<I>p</I>-R-phenyl)-2,2´-bipyridyl (C^N^N) Pt(II) thiophenolate complexes (R = CH₃, COOCH₃, and P(O)(OEt)₂) with two charge-transfer bands in their electronic spectra tentatively assigned to a MLCT (λ_abs ~ 415 nm) transition and a mixed metal - ligand-to-ligand´ charge-transfer (MMLL´CT, λ_abs ~ 555 nm) transition, respectively. The MMLL´CT band is solvatochromic with absorption maxima in the range of 496 nm in MeOH to 590 nm in toluene. Chapter 6 is a detailed study on the photochemical properties of cyclometalated Pt(II) acetylide complexes, Pt(C^N^N-Ph-R)(CCPh) where R = Me, COOMe, and P(O)(OEt)₂. The compounds undergo oxidative quenching by MV²⁺ and reductive quenching by several aryl amine donors with quenching rate constants on the order of the diffusion-controlled limit. When the complexes are employed as the sensitizer in multiple component system, approximately 1 turnover of…

Subjects/Keywords: Solvatochromism; Reductive quenching; Oxidative quenching; Water reduction; Aurophilic; Molecular catalyst; Tribochromism

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APA (6^th Edition):

Schneider, J. (. -. ). (2009). Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/6456

Chicago Manual of Style (16^th Edition):

Schneider, Jacob (1980 - ). “Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water.” 2009. Doctoral Dissertation, University of Rochester. Accessed January 16, 2021. http://hdl.handle.net/1802/6456.

MLA Handbook (7^th Edition):

Schneider, Jacob (1980 - ). “Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water.” 2009. Web. 16 Jan 2021.

Vancouver:

Schneider J(-). Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water. [Internet] [Doctoral dissertation]. University of Rochester; 2009. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/1802/6456.

Council of Science Editors:

Schneider J(-). Part I. structural and luminescence properties of gold(I) benzimidazolethiolate complexes : Part II. cyclometalated platinum(II) coordination compounds as potential chromophores for the photogeneration of hydrogen from water. [Doctoral Dissertation]. University of Rochester; 2009. Available from: http://hdl.handle.net/1802/6456

19. Sato, Bruno Maiko. Síntese e propriedades de líquidos iônicos e tensoativos.

Degree: Mestrado, Química, 2011, University of São Paulo

URL: http://www.teses.usp.br/teses/disponiveis/46/46136/tde-03092012-141515/ ;

►

O trabalho desenvolvido teve como objetivo estudar a solvatação em misturas binárias de água com líquidos iônicos, LIs, destacando a influência da lipofilicidade e estrutura… (more)

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O trabalho desenvolvido teve como objetivo estudar a solvatação em misturas binárias de água com líquidos iônicos, LIs, destacando a influência da lipofilicidade e estrutura deste últimos. Além disso, estudou-se uma série inédita de líquidos iônicos tensoativos, LITs, cujas propriedades em solução aquosa, foram determinadas através de diversas técnicas experimentais. Em relação aos LIs, os estudo iniciou-se com a síntese, purificação e caracterização dos cloretos de 1-alil-3-alquilimidazólios, e posteriormente, analisou-se a solvatação pelas referidas misturas binárias. Para este estudo, foram utilizados compostos (sondas solvatocrômicas) cujos espectros Uv-Vis são sensíveis às propriedades do meio. Juntamente com tais sondas, aplicou-se um modelo de solvatação preferencial, proposto pelo grupo, que descreve a solvatação da sonda, considerando os dois solventes e um “complexo” água-LI. O estudo de solvatocromismo envolveu a utilização de três sondas, MePMBr2, OcPMBr2 e MeQMBr2 e três líquidos iônicos, AlMeImCl, AlBuImCl e AlHxImCl, visando a compreensão das interações hidrofóbicas, o efeito de anelação e o aumento da cadeia alquílica. Os resultados mostraram a importância de várias interações sonda-LI, incluindo ligações de hidrogênio, eletrostáticas, e hidrofóbicas, para a solvatação das sondas. Em relação aos LITs, a série estudada, cloretos de 1-metil-3(3-acilaminopropil) imidazólio, foi sintetizada, purificada e caracterizada. As propriedades das soluções de tensoativos em soluções aquosas foram determinadas através das técnicas de condutância, tensão superficial, espalhamento estático de luz e solvatocromismo. Os valores de concentração micelar crítica, cmc, e energia livre de Gibbs de micelização, ΔGmic, obtidos através das três primeiras técnicas citadas, foram comparados com os valores dos cloretos de 1-metil-3-alquilimidazólio, (tensoativos análogos aos estudados, exceto pela ausência do grupo propilamida) e mostraram que a presença da amida, favorece o processo de micelização, uma vez que os valores dos dois parâmetros citados foram menores para os tensoativos estudados. No estudo de solvatocromismo em soluções micelares, foram utilizadas as sondas WB, 4-nitroanisol, 4-nitroanilina e N,N-dimetil-4-nitroanilina. Com estas sondas foi possível estudar a acidez, α, basicidade, β, polarizabilidade, π* e concentração da água interfacial, [água]interfacial. Notou-se que , α,β, [água]interfacial, diminuíram com o aumento da cauda hidrofóbica do tensoativo, devido a maior proximidade entre os grupos hidrofílicos diminuindo a área mínima das cabeças. Tal diminuição comprime as cabeças dos tensoativos, e atenua a disponibilidade do H2 ácido do imidazol, justificando a diminuição de α com o aumento da hidrofobicidade do tensoativo.

The developed work focused the study of the solvation of binary mixtures among water and ionic liquids, ILs. Highlighting the influence of the lipophilicity and structure of the ILs. Moreover, it was studied a new series of surface active…

Advisors/Committee Members: El Seoud, Omar A.

Subjects/Keywords: Ionic liquids; Líquidos iônicos; Solvatação em misturas binárias; Solvatação em soluções micelares; Solvation in binay mixtures; Solvation in micellar solutions; Solvatochromism; Solvatocromismo; Surfactants; Tensoativos

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Sato, B. M. (2011). Síntese e propriedades de líquidos iônicos e tensoativos. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46136/tde-03092012-141515/ ;

Chicago Manual of Style (16^th Edition):

Sato, Bruno Maiko. “Síntese e propriedades de líquidos iônicos e tensoativos.” 2011. Masters Thesis, University of São Paulo. Accessed January 16, 2021. http://www.teses.usp.br/teses/disponiveis/46/46136/tde-03092012-141515/ ;.

MLA Handbook (7^th Edition):

Sato, Bruno Maiko. “Síntese e propriedades de líquidos iônicos e tensoativos.” 2011. Web. 16 Jan 2021.

Vancouver:

Sato BM. Síntese e propriedades de líquidos iônicos e tensoativos. [Internet] [Masters thesis]. University of São Paulo; 2011. [cited 2021 Jan 16]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46136/tde-03092012-141515/ ;.

Council of Science Editors:

Sato BM. Síntese e propriedades de líquidos iônicos e tensoativos. [Masters Thesis]. University of São Paulo; 2011. Available from: http://www.teses.usp.br/teses/disponiveis/46/46136/tde-03092012-141515/ ;

20. Trišović Nemanja. Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method.

Degree: PhD, Technology and Metallurgy, 2012, University of Belgrade

URL: http://dx.doi.org/10.2298/BG20120113TRISOVIC ; http://eteze.bg.ac.rs/application/showtheses?thesesId=648 ; https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=40148495

► Тo examine solvation effects on the pharmacological properties of hydantoin derivatives, two series of compounds have been synthesized: a) 5-substituted-5-phenylhydantoins include 11 compounds with different… (more)

▼ Тo examine solvation effects on the pharmacological properties of hydantoin derivatives, two series of compounds have been synthesized: a) 5-substituted-5-phenylhydantoins include 11 compounds with different alkyl, cycloalkyl and aryl groups (methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, cyclopentyl, cyclohexyl, phenyl and benzyl) in position 5 of the hydantoin ring; b) 3,5-disubstituted-5-phenylhydantoins include 25 compounds with different alkyl, cycloalkyl, alkenyl and aryl groups (methyl, ethyl, n-propyl, isopropyl, allyl, n-butyl, isobutyl, tert-butyl, cyclopentyl, cycloheksyl, phenyl and benzyl) in positions 3 and 5 of the hydantoin ring. All compounds have been synthesized according to procedures given in the literature or their modifications and characterized by UV, FTIR, 1H and 13C NMR spectroscopy and their purity has been confirmed by HPLC. The absorption spectra of the investigated hydantoin derivatives have been recorded in fifteen solvents of different polarities in the range from 200 to 400 nm. In order to determine a spectroscopic assignment of the absorption bands, the quantum chemical calculations have been performed using Gausian03 for DFT calculations and MOPAC 2009 for semiempirical calculations. The quantitative assessment of solvent effects on the absorption maxima shifts of the investigated molecules has been carried out by means of the linear solvation energy relationship (LSER) using the Kamlet–Taft equation. To provide a framework for an analyze of solvation effects on the pharmacological properties of the investigated hydantoin derivatives, the data, which interpret solvent effects on the absorption maxima shifts, have been correlated with the lipophilicity parameter (log P) and the in silico calculated bioactivity descriptors, in particular %Abs. (human intestinal absorption), log BB (blood–brain barrier permeation) and log kA (protein binding affinities) parameters. The log P values have been estimated with the ACD Solaris v. 4.67 and molecular descriptors for predicting ADMET properties have been obtained with the ChemSilico program. Drawing on Abraham's approach in assessing solvation effects, the relationship between pharmacologically relevant properties and different types of solvent–solute interactions has been presented and disscussed. In view of the results of this study, the investigated hydantoin derivatives have met the pharmacokinetic criteria for pre-selection as drug candidates and qualified them for the pharmacodynamic phase of antiepileptic drug development. The anticonvulsant activities of four 3,5-disubstituted-5-phenylhydantoins, the lipophilicities of which have been estimated to be similar to the lipophilicity of phenytoin, have been evaluated on male Wistar rats by the s.c. pentylenetetrazol (PTZ) seizure test and i.v. PTZ threshold test and the spontaneous locomotor activity test was used to assess the possible sedative effects. The X-ray analysis of three compounds has suggested that certain analogies might be drawn between interactions in…

Subjects/Keywords: Hydantoins; solvatochromism; lipophilicity; ADMET properties; anticonvulsant Activity; crystal structure; antiproliferative activity; antibacterial activity; hidаntоini; sоlvаtоhrоmizаm; lipоfilnоst; ADMET svојstvа; аntikоnvulzivnа аktivnоst; kristаlnа strukturа; аntiprоlifеrаtivnа аktivnоst; аntibаktеriјskа аktivnоst

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Nemanja, T. (2012). Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method. (Doctoral Dissertation). University of Belgrade. Retrieved from http://dx.doi.org/10.2298/BG20120113TRISOVIC ; http://eteze.bg.ac.rs/application/showtheses?thesesId=648 ; https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=40148495

Chicago Manual of Style (16^th Edition):

Nemanja, Trišović. “Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method.” 2012. Doctoral Dissertation, University of Belgrade. Accessed January 16, 2021. http://dx.doi.org/10.2298/BG20120113TRISOVIC ; http://eteze.bg.ac.rs/application/showtheses?thesesId=648 ; https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=40148495.

MLA Handbook (7^th Edition):

Nemanja, Trišović. “Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method.” 2012. Web. 16 Jan 2021.

Vancouver:

Nemanja T. Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method. [Internet] [Doctoral dissertation]. University of Belgrade; 2012. [cited 2021 Jan 16]. Available from: http://dx.doi.org/10.2298/BG20120113TRISOVIC ; http://eteze.bg.ac.rs/application/showtheses?thesesId=648 ; https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=40148495.

Council of Science Editors:

Nemanja T. Investigation of structural effects on the anticonvulsant activity of 3,5-disubstituted-5-phenylhydantoins by the linear solvation relationship method. [Doctoral Dissertation]. University of Belgrade; 2012. Available from: http://dx.doi.org/10.2298/BG20120113TRISOVIC ; http://eteze.bg.ac.rs/application/showtheses?thesesId=648 ; https://fedorabg.bg.ac.rs/fedora/get/o:6853/bdef:Content/get ; http://vbs.rs/scripts/cobiss?command=SEARCH&base=99999&select=ID=40148495

21. Rouquette, Rémi. Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution.

Degree: Docteur es, Chimie, 2017, Université de Strasbourg

URL: http://www.theses.fr/2017STRAF075

►

Cette thèse se focalise sur le design, la synthèse et la caractérisation photophysiques de complexes de platine(II) neutres contenant un ligand chromophore tridenté et un… (more)

▼

Cette thèse se focalise sur le design, la synthèse et la caractérisation photophysiques de complexes de platine(II) neutres contenant un ligand chromophore tridenté et un ligand auxiliaire monodenté avec des groupes fonctionnels différents. De tels complexes montrent des changements drastiques de leurs propriétés de photoluminescence à cause de leur auto-assemblage, déclenché par l’établissement de faibles liaisons non covalents tels que l’empilement p-p et des interactions métallophiliques. Il a été démontré que ces complexes de platine(II) peuvent être attaché de manière covalente à des surfaces de silice et d’or mais aussi encapsulé dans des particules de polymère. Les propriétés d’autoassemblage de complexes de platine(II) amphiphiles ont également été étudiées en détails. Comprendre le comportement d’un complexe de platine dans un mélange de solvant nous a permis d’en apprendre plus sur le co-assemblage supramoléculaire de deux complexes de platine(II) différents. Cette approche conduit à la formation de fibres solvatochromiques avec des propriétés photophysiques spécifiques et réversibles. Les composés étudiés et leur auto-assemblage sonti ntéressant pour le développement de nouveaux matériaux fonctionnels aux applications sensoriels et réactives à certains stimuli.

This thesis focuses on the design, synthesis and the photophysical characterisation of luminescent neutral platinum(II) compounds containing a tridentate chromophoric ligand and a monodentate ancillary moiety with different functionalities. Such complexes exhibited drastic changes to their photoluminescence properties upon self-assembly, triggered by the establishment of weak noncovalent p-p stacking and metallophilic interactions. It was demonstrated that these platinum(II) complexes can be covalently attached to silicon and gold substrates but also encapsulated into polymer particles. The self-assembly properties of amphiphilic platinum(II) complexes have also been intensively studied. Understanding the behaviour of one complex in a solvent mixture allowed further investigation into the supramolecular co-assembly of two different platinum(II) complexes. This approach leads to the formation of solvatochromic fibers with specific and reversible phototophysical properties. The investigated compounds and their assemblies were useful for the development of novel functional materials for sensing or stimuli-responsiveness applications.

Advisors/Committee Members: De Cola, Luisa (thesis director).

Subjects/Keywords: Complexes de platine(II); Luminescence; Auto-assemblage; Fonctionnalisation de surface; Encapsulation; Supramoléculaire; Solvatochromisme; Platinum(II) complexes; Luminescence; Self-assembly; Surface functionalisation; Encapsulation; Supramolecular co-assembly; Solvatochromism; 541.3

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Rouquette, R. (2017). Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution. (Doctoral Dissertation). Université de Strasbourg. Retrieved from http://www.theses.fr/2017STRAF075

Chicago Manual of Style (16^th Edition):

Rouquette, Rémi. “Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution.” 2017. Doctoral Dissertation, Université de Strasbourg. Accessed January 16, 2021. http://www.theses.fr/2017STRAF075.

MLA Handbook (7^th Edition):

Rouquette, Rémi. “Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution.” 2017. Web. 16 Jan 2021.

Vancouver:

Rouquette R. Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution. [Internet] [Doctoral dissertation]. Université de Strasbourg; 2017. [cited 2021 Jan 16]. Available from: http://www.theses.fr/2017STRAF075.

Council of Science Editors:

Rouquette R. Self-assembly of platinum(II) complexes with tunable photophysical properties in confined spaces and in solution : Auto-assemblage de complexes de platine(II) aux propriétés photophysiques modulables dans des espaces confinés et en solution. [Doctoral Dissertation]. Université de Strasbourg; 2017. Available from: http://www.theses.fr/2017STRAF075

Georgia State University

22. Beckford, Garfield. The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase.

Degree: PhD, Chemistry, 2014, Georgia State University

URL: https://scholarworks.gsu.edu/chemistry_diss/99

► A new Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) bioassay to detect and study the catalytic activity of the sulfur assimilating enzyme commonly found… (more)

▼ A new Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) bioassay to detect and study the catalytic activity of the sulfur assimilating enzyme commonly found in E. coli species; alkanesulfonate monooxygenase (EC 1.14.14.5) is described for the first time. This technique enables the possibility for direct injection onto a capillary for detection without the need for pre-concentration of sample and with minimal sample preparative steps prior to analysis. In this bioassay, a group of Fischer based cyanine dyes and two Oxazine (Nile red) derivatives were designed for further optimization as key Vis-NIR fluorescent substrate. In developing this technique, the test dyes were first assessed for their photophysical properties, based on four criteria; (1) photostable (2) solvatochromism (3) binding affinity towards both the monooxygenase active site and serum albumin and (4) chemical stability in strong electric field strength. Applying key dye characterization procedures including; molar absorptivity determination, quantum yield determination, photostability, solvatochromism and protein interaction studies it was determined that the Fischer indolium cyanine dyes were most suitable for the method development. The data revealed that under the test conditions, reduced flavin, the oxidative monooxygenase catalytically specifically converts the alkylsulfonate substituted cyanine dyes to the corresponding aldehyde. This new bioassay has proven to be quick, portable, sensitive, reliable and the exhibit the possibility of ‘on-the-spot’ detection; advantages not readily realized with other commonly applied techniques such as PCR, SPR, ELISA and GC used to study bacterial sulfur assimilation processes. In addition, recent literature results proposed by other research groups developing similar techniques showed strong reliance on GC analyses. Those assays involve the use of low molecular weight straight chain non-emissive alkanesulfonate substrates. Once enzyme catalysis occurs the aldehyde is formed becomes rather volatile and requires complex and tedious headspace sampling for GC analyses. This feature limits the in vitro applicability and eliminated the possibility in vivo development. Our goal is to further develop, optimize and present this CZE based bioassay as a suitable alternative to the current trends in the field while creating a more robust and sensitive in vitro monooxygenase detection method with the possibilities of in vivo application. Advisors/Committee Members: Dr. Gabor Patonay.

Subjects/Keywords: Human Serum Albumin (HSA); Steric specificity; Solvatochromism; Nearinfrared laser induced fluorescence (NIR-LIF) spectroscopy; J-aggregation (Bathochromic) and H-aggregation (Hypsochromic); Riboflavin mononucleotide; Alkanesulfonate monooxygenase.

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Beckford, G. (2014). The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase. (Doctoral Dissertation). Georgia State University. Retrieved from https://scholarworks.gsu.edu/chemistry_diss/99

Chicago Manual of Style (16^th Edition):

Beckford, Garfield. “The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase.” 2014. Doctoral Dissertation, Georgia State University. Accessed January 16, 2021. https://scholarworks.gsu.edu/chemistry_diss/99.

MLA Handbook (7^th Edition):

Beckford, Garfield. “The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase.” 2014. Web. 16 Jan 2021.

Vancouver:

Beckford G. The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase. [Internet] [Doctoral dissertation]. Georgia State University; 2014. [cited 2021 Jan 16]. Available from: https://scholarworks.gsu.edu/chemistry_diss/99.

Council of Science Editors:

Beckford G. The Spectrochemical Characterization of Novel Vis-NIR Fluorescence Dyes and Developing a Laser Induced Fluorescence Capillary Zone Electrophoresis (LIF-CZE) Technique to Study Alkanesulfonate Monooxygenase. [Doctoral Dissertation]. Georgia State University; 2014. Available from: https://scholarworks.gsu.edu/chemistry_diss/99

23. Silva, Priscilla Leandro. Solvatação em solventes puros e misturas binárias: fundamentos e aplicações.

Degree: PhD, Química Orgânica, 2011, University of São Paulo

URL: http://www.teses.usp.br/teses/disponiveis/46/46135/tde-02112011-122800/ ;

► Este trabalho visou compreensão da solvatação em solventes puros e misturas binárias, e aplicar as informações obtidas para analisar o efeito de solventes na síntese… (more)

▼ Este trabalho visou compreensão da solvatação em solventes puros e misturas binárias, e aplicar as informações obtidas para analisar o efeito de solventes na síntese de líquido iônico, e na dependência das propriedades de filmes de acetatos de celulose, AC, sobre o grau de substituição do éster. Para a compreensão da solvatação utilizou-se compostos (sondas solvatocrômicas) cujos espectros Uv-Vis são sensíveis às propriedades do meio. Juntamente com tais sondas, foram usadas outras duas ferramentas: (i) Modelo de solvatação preferencial; proposto por nosso grupo e que descreve a composição da camada de solvatação da sonda, considerando a existência de um ägregado�̈�gua - solvente orgânico. (ii)Correlações multi-paramêtricas de energia livre de solvatação; que correlacionam uma propriedade dependente do meio com as propriedades dos solventes e suas misturas. Primeiramente, estudamos a solvatação de pares de sondas que possuíam pKas semelhantes e lipofilicidades diferentes em solventes próticos. Concluiu-se que a acidez e a dipolaridade/polarizabilidade dos solventes são as propriedades mais importantes. As conclusões foram corroboradas por cálculos teóricos, que mostraram a relação entre as características estruturais da sonda e suas susceptibilidades às propriedades do meio. O mesmo conjunto de sondas foi usado no estudo de misturas água-solventes próticos. Neste, aplicou-se com sucesso o modelo de solvatação acima mencionado e, de forma inédita, conseguimos racionalizar as constantes de equilíbrio para a troca das espécies presentes (água, solvente e água-solvente) na camada de solvatação com as propriedades dos solventes puros e/ou das misturas binárias. Os resultados revelaram que a composição da camada de solvatação é regida pelas propriedades de solventes, em particular a lipofilicidade e basicidade. As sondas RB e WB foram estudadas em misturas de água com alcoóis e com solventes apróticos. O intuito era ampliar a aplicabilidade do modelo de solvatação, para o qual precisávamos conhecer o volume molar do agregado, VSolv-A, e a constante de dissociação, Kdissoc, do agregado água-solvente. Estas duas grandezas eram obtidas de forma simultânea, através de dados de densidade. Desta vez, fizemos uso de cálculos teóricos para obter, de forma independente, o volume molar e depois utilizá-lo, como parâmetro constante (não ajustável) na cálculo de Kdissoc. A comparação dos resultados mostrou que, por ambas as abordagens, o desvio entre os valores de Kdissoc era mínimo. Por outro lado, em nenhum caso a ordem de Kdissoc se alterava. Esta observação deve-se ao fato de que o cálculo simultâneo de Kdissoc e VSolv-A foi sempre baseado em número grande de dados de densidade (18) de forma que os ajustes por interação não convergissem para um falso mínimo; o nível de teoria usado nos cálculos teóricos foi adequado. Quanto às aplicações, ficou evidente como a escolha do solvente afeta a velocidade da síntese do líquido iônico. Em relação aos filmes de AC, tentamos reproduzir as propriedades dos mesmos, através de uso de… Advisors/Committee Members: El Seoud, Omar A.

Subjects/Keywords: Acetatos de celulose; Cellulose acetates; Equações de energia livre de solvatação; Equations of solvation free energy; Ionic liquids; Líquidos iônicos; Solvatação em misturas binárias; Solvatação em solventes puros; Solvation in binay mixtures; Solvation in pure solvents; Solvatochromism; Solvatocromismo; Solvent; Solvente

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Silva, P. L. (2011). Solvatação em solventes puros e misturas binárias: fundamentos e aplicações. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46135/tde-02112011-122800/ ;

Chicago Manual of Style (16^th Edition):

Silva, Priscilla Leandro. “Solvatação em solventes puros e misturas binárias: fundamentos e aplicações.” 2011. Doctoral Dissertation, University of São Paulo. Accessed January 16, 2021. http://www.teses.usp.br/teses/disponiveis/46/46135/tde-02112011-122800/ ;.

MLA Handbook (7^th Edition):

Silva, Priscilla Leandro. “Solvatação em solventes puros e misturas binárias: fundamentos e aplicações.” 2011. Web. 16 Jan 2021.

Vancouver:

Silva PL. Solvatação em solventes puros e misturas binárias: fundamentos e aplicações. [Internet] [Doctoral dissertation]. University of São Paulo; 2011. [cited 2021 Jan 16]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46135/tde-02112011-122800/ ;.

Council of Science Editors:

Silva PL. Solvatação em solventes puros e misturas binárias: fundamentos e aplicações. [Doctoral Dissertation]. University of São Paulo; 2011. Available from: http://www.teses.usp.br/teses/disponiveis/46/46135/tde-02112011-122800/ ;

24. Βερώνη, Ειρήνη. Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης.

Degree: 2006, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ)

URL: http://hdl.handle.net/10442/hedi/20827

► The present PhD thesis concerns a study of the coordination chemistry of certain diimine ligands to transition metals. We have synthesized, characterized and studied metal… (more)

▼ The present PhD thesis concerns a study of the coordination chemistry of certain diimine ligands to transition metals. We have synthesized, characterized and studied metal complexes of the type: fac-Re(CO)3Cl(L), W(CO)4(L), W(CO)5(L), cis-Ru(L)2X2, Pt(L)X2, where L stands for diimine. The diimines that have been used as ligands, belong to the class of quinoxalines (quin) and of dipyrido pyrazines (dppz). Starting from 2, 2΄- pyridyl quinoxaline (pq) - which was already bibliographically known - we have synthesized a new series of substituted pqs, which bear a group of either: -CH3, -Cl, -COOH, or -COOEt at the position 6 of the aromatic quinoxaline rings. The syntheses of the aforementioned ligands were based on condensation reactions between a substituted 1,2 phenyldiamine and 2-acetyl pyridyl. The new ligands were characterized through elementar analyses, IR, UV-Vis, NMR spectroscopy and their photophysical and electrochemical properties were studied through emission spectroscopy and cyclic voltammetry, correspondingly. Furthermore, the solvent effect on NMR and UV-Vis spectra has been examined, along with the effect of PH on absorption spectra. On the other hand, we report the syntheses of two dppz ligands that are substituted at position 11 with a -COOH group - the first - and at positions 3,6 with two -COOEt groups - the second. Their synthetic procedure is based on the synthesis of the appropriate phenanthroline dione, which is then condensated with the appropriate 1,2-diamino aromatic rings. The characterization and study of these ligands is through IR, UV-Vis, NMR and emission spectroscopy. A new series of complexes of the type fac-Re(CO)3Cl(L) have been synthesized with the aforementioned ligands, through substitution reactions of the starting complex Re(CO)5Cl with the corresponding diimine and parallel loss of two carbonyls. The complexes have been characterized by elementar analysis, IR, UV-Vis, and NMR spectroscopy and their photophysical and electrochemical properties were studied through emission spectroscopy and cyclic voltammetry, correspondingly. Moreover, the crystal structures of Re(CO)3Cl(pqCH3), Re(CO)3Cl(pqCOOH) and Re(CO)3Cl(dppz-3,6-COOEt) have been studied by X-rays. Beside the above complexes, Re(CO)3Cl(dppz-11,12-ΝΗ2) has also been synthesized; it defers from the others in relation to the fact that the ligand dppz-11,12-ΝΗ2 has been synthesized via a condensation reaction, while a part of it was already attached on the metal centre. Among the complexes of the type W(CO)4(L), we have endeavoured the major part of our concern on the characterization and the properties of W(CO)4(pq). This was synthesized after the addition of pq to the photo-chemically prepared W(CO)5(THF). The characterization and study have been done with all of the mentioned techniques (elementar analysis, X-Rays crystallography, IR, UV-Vis, NMR and emission spectroscopy, cyclic voltammetry) and in addition theoretical DFT calculations have been performed. The latter have given important information on the energies and…

Subjects/Keywords: Σύμπλοκα; Διϊμίνες; Κινοξαλίνες; Πυραζίνες; Μέταλλα μετάπτωσης; Σύνθεση; Διαλυτοχρωμισμός; Κρυσταλλικές δομές; Complexes; Diimines; Quinoxalines; Pyrazines; TRANSITION METALS; Synthesis; Solvatochromism; Crystal structures

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Βερώνη, . �. (2006). Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης. (Thesis). National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Retrieved from http://hdl.handle.net/10442/hedi/20827

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Βερώνη, Ειρήνη. “Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης.” 2006. Thesis, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Accessed January 16, 2021. http://hdl.handle.net/10442/hedi/20827.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Βερώνη, Ειρήνη. “Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης.” 2006. Web. 16 Jan 2021.

Vancouver:

Βερώνη �. Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης. [Internet] [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2006. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/10442/hedi/20827.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Βερώνη �. Σύνθεση, χαρακτηρισμός και μελέτη α-διϊμινικών συμπλόκων μετάλλων μετάπτωσης. [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2006. Available from: http://hdl.handle.net/10442/hedi/20827

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Freie Universität Berlin

25. Modrakowski, Claudia. Synthesis of Dendrimers with Site-specific Fluorescent Probes.

Degree: 2002, Freie Universität Berlin

URL: https://refubium.fu-berlin.de/handle/fub188/11121

► In the present thesis concepts for quantifying the polarity of the microenvironment of fluorescent molecules in dendrimers were developed. To accomplish the project, model compounds… (more)

▼ In the present thesis concepts for quantifying the polarity of the microenvironment of fluorescent molecules in dendrimers were developed. To accomplish the project, model compounds were planned and transferred into chemical structures. The concept is based on the generation specific fitting of fluorescent probes with high solvatochromism and their corresponding dummies into dendrimers. As illustrated in the architect's image on page 13, five probe- and dummy-pairs of the first dendron generation were prepared. Every received pair was examined for its fluorescent and chemical properties. The Suzuki cross-coupling was the main reaction for the construction of all dendrons. The dendrons were equipped with orthogonal protecting groups. Selective deprotection in the periphery or at the focal point was feasible without difficulty. The partial deprotected G1-probe- or dummy-containing dendrons were combined to G2-dendrons 50, 51, 112, 113 and 125 via peptide- or esterbondings. Subsequently, G2-dendrimers 67, 116 und 128 were synthesized. With those it was proved, that there was no excimer formation, when the molecules were excitated. Molecule 67 is the first known dendrimer in literature with a pyrene containing core. The results of the fluorescence experiments were, that the probes with two electron acceptor groups had the best properties. The solvatochromic shift between different solvents was very strong. The biggest difference in the fluoresence maxima in methylcyclohexan and acetonitrile was 185 nm. The solvatochromic sensitivity of probe 119 was so well-defined, that the different fluorescent wavelength, appearing in different solvents could be seen with the human eye. In order to convert a probe into a dummy it was sufficient to place a methylene group between the donor unit pyrene and the acceptor groups. An alternative successive way to get a dummy with excellent properties was the use of tetrahydropyrene instead of pyrene. The tetrahydropyrene dummy actually had the best fluorescence properties. Consequently a selective excitation of the probe in presence of the dummy was possible. The absorption of the tetrahydropyrene dummy was finished in the area of the absorption maximum of the corresponding probe 119. Lastly first measurements were conducted with probe 119, placed in different dendritic structures. The probe was placed in the first generation of 119, 125 and in dendrimer 128. The fluorescence wavelength was shifted in acetonitrile from 531 nm in the smallest dendron to 509 nm in the biggest structure. Perhaps this is the first hypsochromic shift, induced through the dendritic interior. This experiment proved to be so promising that in near future our system might be able to quantify the micro polarity of the interior of dendrimers and to give a statement on the direction of the polarity gradient in our dendrimer system. Advisors/Committee Members: n (gender), Prof. Dr. Arnulf Dieter Schlüter (firstReferee), Prof. Dr. Jürgen-H. Fuhrhop (furtherReferee).

Subjects/Keywords: Dendrimers; Fluorescence; Suzuki Cross-coupling; Pyrene; Solvatochromism; 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Modrakowski, C. (2002). Synthesis of Dendrimers with Site-specific Fluorescent Probes. (Thesis). Freie Universität Berlin. Retrieved from https://refubium.fu-berlin.de/handle/fub188/11121

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Modrakowski, Claudia. “Synthesis of Dendrimers with Site-specific Fluorescent Probes.” 2002. Thesis, Freie Universität Berlin. Accessed January 16, 2021. https://refubium.fu-berlin.de/handle/fub188/11121.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Modrakowski, Claudia. “Synthesis of Dendrimers with Site-specific Fluorescent Probes.” 2002. Web. 16 Jan 2021.

Vancouver:

Modrakowski C. Synthesis of Dendrimers with Site-specific Fluorescent Probes. [Internet] [Thesis]. Freie Universität Berlin; 2002. [cited 2021 Jan 16]. Available from: https://refubium.fu-berlin.de/handle/fub188/11121.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Modrakowski C. Synthesis of Dendrimers with Site-specific Fluorescent Probes. [Thesis]. Freie Universität Berlin; 2002. Available from: https://refubium.fu-berlin.de/handle/fub188/11121

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

26. Klimavicz, James Scott. Synthesis of donor-acceptor benzobis(oxazole) small molecules.

Degree: 2013, Iowa State University

URL: https://lib.dr.iastate.edu/etd/13376

► A variety of symmetric, π-conjugated organic chromophores were synthesized using trans-benzobis(oxazole) as an acceptor and the core of dye, changing the donating moieties in the… (more)

Subjects/Keywords: benzobisoxazole; chromophore; conjugated molecule; orthoester; pi-conjugation; solvatochromism; Chemistry; Organic Chemistry

…characterized. 17 2.3. Optical Properties and Solvatochromism The optical properties of the… …difference in solvatochromism between the triphenylamine dye 210 and the carbazole dye 211 is… …highly polar solvents.19 Figure 9: The solvatochromism the emission spectra of 208 and 210 in… …Figure 10: The solvatochromism the emission spectra of 211 in various solvents (left)…

10 more images…

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Klimavicz, J. S. (2013). Synthesis of donor-acceptor benzobis(oxazole) small molecules. (Thesis). Iowa State University. Retrieved from https://lib.dr.iastate.edu/etd/13376

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Klimavicz, James Scott. “Synthesis of donor-acceptor benzobis(oxazole) small molecules.” 2013. Thesis, Iowa State University. Accessed January 16, 2021. https://lib.dr.iastate.edu/etd/13376.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Klimavicz, James Scott. “Synthesis of donor-acceptor benzobis(oxazole) small molecules.” 2013. Web. 16 Jan 2021.

Vancouver:

Klimavicz JS. Synthesis of donor-acceptor benzobis(oxazole) small molecules. [Internet] [Thesis]. Iowa State University; 2013. [cited 2021 Jan 16]. Available from: https://lib.dr.iastate.edu/etd/13376.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Klimavicz JS. Synthesis of donor-acceptor benzobis(oxazole) small molecules. [Thesis]. Iowa State University; 2013. Available from: https://lib.dr.iastate.edu/etd/13376

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Notre Dame

27. Berlyn Rose Mellein. Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>.

Degree: Chemical Engineering, 2008, University of Notre Dame

URL: https://curate.nd.edu/show/gh93gx43t7h

► ILs show potential for different types of applications, yet removing compounds such as reaction products and impurities can be difficult. This work describes the… (more)

▼ ILs show potential for different types of applications, yet removing compounds such as reaction products and impurities can be difficult. This work describes the solvent strength effects on the anti-solvent behavior of CO2 with ILs and IL/organic mixtures. The anti-solvent behavior is measured for both liquid and solid solutes in ILs. A systematic study was done to highlight the effect of specific interactions. For liquid solutes, the anti-solvent ability is measured in terms of the Lower Critical End Point (LCEP). For all the IL/organic mixtures measured, the LCEP increases as the concentration of IL increases above ~10 mole%. The ease of separation depends on the CO2 solubility in the pure organic; 2-butanone is the easiest to separate and has the highest CO2 solubility. Another measure of the anti-solvent ability of CO2 is the nucleation pressure of solid [Cu(acac)(tmen)][BPh4] dissolved in IL/organic mixtures. It is not possible to separate [Cu(acac)(tmen)][BPh4] from [hmim][Tf2N] using CO2; a cosolvent is needed. For organic/[Cu(acac)(tmen)][BPh4] mixtures, the nucleation pressure depends on specific interactions and solute solubility. The presence of IL is significant, causing an increase in the nucleation pressure. The results for the systematic study of the solvent strength of IL/organic mixtures indicate that ILs in general preferentially solvate polar, protic compounds. The solvent strength of ILs is unaffected by CO2, even at large mole fractions. However, the organics are affected. The IL/organic mixtures with CO2 behave intermediary between that of IL/CO2 and organic/CO2. The solvent strength behavior can be used to explain the anti-solvent ability of CO2 for liquid organic solutes and the solid [Cu(acac)(tmen)][BPh4] solute. The solvent strength behavior can also be used to predict the anti-solvent behavior in terms of the LCEP. A correlation based on the Linear Solvation Energy Relationship (LSER) equation modified to take into account two components was used. The fit is excellent, and can also be used to predict data of other mixtures within 10% for ILs other than [bmim][PF6]. This is excellent considering that only pure component parameters for Ì¡*, γ, and Ì¢ were used. Advisors/Committee Members: Joan F. Brennecke, Committee Member, Jeanne Romero-Severson, Committee Chair, Ed Maginn, Committee Member, Elaine Zhu, Committee Member, Mark Stadtherr, Committee Member.

Subjects/Keywords: Ionic Liquids; Linear Solvation Energy Relationship; Solvatochromism; Carbon Dioxide; Anti-Solvent; Reichardt’s Dye; Lower Critical End Point

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Mellein, B. R. (2008). Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>. (Thesis). University of Notre Dame. Retrieved from https://curate.nd.edu/show/gh93gx43t7h

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Mellein, Berlyn Rose. “Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>.” 2008. Thesis, University of Notre Dame. Accessed January 16, 2021. https://curate.nd.edu/show/gh93gx43t7h.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Mellein, Berlyn Rose. “Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>.” 2008. Web. 16 Jan 2021.

Vancouver:

Mellein BR. Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>. [Internet] [Thesis]. University of Notre Dame; 2008. [cited 2021 Jan 16]. Available from: https://curate.nd.edu/show/gh93gx43t7h.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mellein BR. Solvent Strength Effects on the Anti-Solvent Ability Of Carbon Dioxide With Ionic Liquid/Organic Mixtures</h1>. [Thesis]. University of Notre Dame; 2008. Available from: https://curate.nd.edu/show/gh93gx43t7h

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Florida

28. SILVERA BATISTA,CARLOS A. Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes.

Degree: PhD, Chemical Engineering, 2011, University of Florida

URL: https://ufdc.ufl.edu/UFE0042883

The photoluminescence from single wall carbon nanotubes (SWNTs) has been Advisors/Committee Members: Ziegler, Kirk (committee chair), Ural, Ant (committee member), Fan, Zhonghui H (committee member), Rinzler, Andrew G (committee member).

Subjects/Keywords: Absorption spectra; Aggregation; Carbon nanotubes; Diameters; Electrodes; Micelles; Molecules; Nanotubes; Solvents; Surfactants; AGAROSE – CHROMATOGRAPHY – OPTICAL – SANS – SHEAR – SOLVATOCHROMISM

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

A, S. B. (2011). Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0042883

Chicago Manual of Style (16^th Edition):

A, SILVERA BATISTA,CARLOS. “Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes.” 2011. Doctoral Dissertation, University of Florida. Accessed January 16, 2021. https://ufdc.ufl.edu/UFE0042883.

MLA Handbook (7^th Edition):

A, SILVERA BATISTA,CARLOS. “Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes.” 2011. Web. 16 Jan 2021.

Vancouver:

A SB. Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes. [Internet] [Doctoral dissertation]. University of Florida; 2011. [cited 2021 Jan 16]. Available from: https://ufdc.ufl.edu/UFE0042883.

Council of Science Editors:

A SB. Manipulation of the Microenvironment Surrounding Single Wall Carbon Nanotubes and Its Effect on Photoluminescence and Separation Processes. [Doctoral Dissertation]. University of Florida; 2011. Available from: https://ufdc.ufl.edu/UFE0042883

Georgia Tech

29. Ford, Jackson Walker. Designing for sustainability with CO2-tunable solvents.

Degree: PhD, Chemical Engineering, 2007, Georgia Tech

URL: http://hdl.handle.net/1853/19866

► Developing greener, more efficient, and less energy-intensive processes will lead the chemical industry into a more sustainable future. Gas-expanded liquids (GXLs) form a unique class… (more)

Subjects/Keywords: Gas-expanded liquids; Alternative solvents; Carbon dioxide; Solvatochromism; Local structure; Carbon dioxide; Solvents; Sustainable engineering; Green products

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Ford, J. W. (2007). Designing for sustainability with CO2-tunable solvents. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/19866

Chicago Manual of Style (16^th Edition):

Ford, Jackson Walker. “Designing for sustainability with CO2-tunable solvents.” 2007. Doctoral Dissertation, Georgia Tech. Accessed January 16, 2021. http://hdl.handle.net/1853/19866.

MLA Handbook (7^th Edition):

Ford, Jackson Walker. “Designing for sustainability with CO2-tunable solvents.” 2007. Web. 16 Jan 2021.

Vancouver:

Ford JW. Designing for sustainability with CO2-tunable solvents. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/1853/19866.

Council of Science Editors:

Ford JW. Designing for sustainability with CO2-tunable solvents. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/19866

30. Achilleos, Demetra. Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids.

Degree: 2011, University of Crete (UOC); Πανεπιστήμιο Κρήτης

URL: http://hdl.handle.net/10442/hedi/30140

► The aim of this work is the synthesis and the investigation of the responsive behavior of a range of spiropyran (SP)-based materials including random copolymers,… (more)

▼ The aim of this work is the synthesis and the investigation of the responsive behavior of a range of spiropyran (SP)-based materials including random copolymers, spherical polymer brushes and hollow nanoparticles. The ability of these materials to respond to a variety of applied external stimuli such as light, pH, temperature and solvent polarity renders them excellent candidates for various applications. Multiresponsive SP-based random copolymers which vary in the content of the SP moieties, were synthesized by the random copolymerization of 2- (dimethylamino)ethyl methacrylate (DMAEMA) or methyl methacrylate (MMA) with the in-house synthesized SP monomer 1',3',3'-trimethyl-6-methacryloyloxy-spiro(2H1-benzopyran-2,2'-indoline) by ATRP in solution. The PDMAEMA-co-PSP copolymers exhibited “reverse photochromism” and “negative solvatochromism” upon increasing the polarity of the solvent, in contrast to the PMMA-co-PSP analogue. Moreover, the PDMAEMA-co-PSP copolymers exhibited a reversible pHresponsive character in aqueous media with an acid-induced the SP-to-merocyanine (MC) isomerization and the formation of [MC-OH]+ and [SP-NH]+ species. The lower critical solution temperature (LCST) of the copolymers increased with their content in hydrophilic MC moieties, while the recovery of the hydrophobic SP species decreased the LCST. Finally, the copolymers exhibited a first-order photo induced bleaching of the chromophore units in water and acetonitrile, with a slower decoloration rate in the aqueous medium due to the effective stabilization of the bipolar MC form. A PDMAEMA-co-(1΄-(2-methacryloxyethyl)-3΄,3΄-dimethyl-6-nitrospiro-(2H-1- benzopyran-2,2΄-indoline)) (PSPMA) random copolymer which exhibited “normal photochromism”, that is the SP-to-MC isomerization upon stimulation with UV light was also synthesized using the in-house synthesized monomer SPMA. The stimulation of the PDMAEMA-co-PSPMA copolymer with UV light in water resulted in the generation of three switterionic moieties from the same parent SP molecule; namely the non-planar X isomer and two different planar MC species, MC1 and MC2 which differ in polarity. The photo-isomers followed a biexponential thermal bleaching mechanism originated from localized barriers inherent in the polymer matrix which establish a non-homogeneous microenvironment around the chromophores. Moreover, the copolymer exhibited an intra- and inter-chain fluorescence resonance energy transfer (FRET) upon the photo-induced generation of both X and MC species which are FRET donor-acceptor pairs, respectively, from the SP isomers. The photo-regulated energy transfer was favored by the close proximity of the bipolar isomers promoted by the association of the random copolymers in water and the spectral overlap of the emission and absorption bands of X and MC isomers, respectively. The FRET process is interrupted by the thermal MC-to-SP isomerization which is retarded by the polar microenvironment and enabled before relaxation of the acceptors the read-out process. In the second part of this…

Subjects/Keywords: Σπιροπυράνια; Τυχαία συμπολυμερή; Οργανικά-ανόργανα υβρίδια; Νανοκάψουλες; Ριζικός πολυμερισμός μεταφοράς ατόμου; Ανάστροφος και κανονικός φωτοχρωμισμός; Αρνητικός διαλυτοχρωμισμός; Συντονιζόμενη μεταφορά ενέργειας Foster; Spiropyrans; Random copolymers; Core-shell hybrid particles; Atom transfer radical polymerization; Reverse and normal photochromism; Hollow nanocapsules; Negative solvatochromism; Forster resonance energy transfer

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APA (6^th Edition):

Achilleos, D. (2011). Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids. (Thesis). University of Crete (UOC); Πανεπιστήμιο Κρήτης. Retrieved from http://hdl.handle.net/10442/hedi/30140

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Achilleos, Demetra. “Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids.” 2011. Thesis, University of Crete (UOC); Πανεπιστήμιο Κρήτης. Accessed January 16, 2021. http://hdl.handle.net/10442/hedi/30140.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Achilleos, Demetra. “Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids.” 2011. Web. 16 Jan 2021.

Vancouver:

Achilleos D. Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids. [Internet] [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2011. [cited 2021 Jan 16]. Available from: http://hdl.handle.net/10442/hedi/30140.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Achilleos D. Synthesis of multiresponsive copolymers for the development of smart organic-inorganic hybrids. [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2011. Available from: http://hdl.handle.net/10442/hedi/30140

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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