Open Access. Powered by Scholars. Published by Universities.®

Physical Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

2310 Full-Text Articles 3371 Authors 286242 Downloads 88 Institutions

All Articles in Physical Chemistry

Faceted Search

2310 full-text articles. Page 1 of 47.

Synthesis And Catalytic Evaluation Of Novel C-Alpha-Methyl-Beta-Proline Analogues, And Concise Synthetic Approach To Nh-Fmoc-S-Trityl-C-Alpha-Methyl Cysteine, Hari Kiran Kotapati 2017 University of Southern Mississippi

Synthesis And Catalytic Evaluation Of Novel C-Alpha-Methyl-Beta-Proline Analogues, And Concise Synthetic Approach To Nh-Fmoc-S-Trityl-C-Alpha-Methyl Cysteine, Hari Kiran Kotapati

Dissertations

In the field of chemistry there is a growing demand for small molecule organocatalysts such as amino acids, more specifically proline and its analogues, which could catalyze various key chemical reactions in the synthesis of several biologically important molecules. Even though natural proline is reported to catalyze various chemical reactions, its use as organocatalyst is limited mainly due to the solubility issues in the reaction media and high catalyst loadings, which is not very ideal for bulk scale manufacturing. To address these limitations we planned to develop unnatural analogues of proline that could catalyze the reactions with lower catalyst loadings ...


Adsorption And Wetting In Model Mesoporous Silicas And In Complex Metal Oxide Catalysts, Karthik Jayaraman 2017 Seton Hall University

Adsorption And Wetting In Model Mesoporous Silicas And In Complex Metal Oxide Catalysts, Karthik Jayaraman

Seton Hall University Dissertations and Theses (ETDs)

The surface of most metal oxides is covered by hydroxyl groups which influence many surface phenomena such as adsorption and wetting, catalysis and surface reactions. Surface chemistry of silica is a subject of exhaustive studies owing to a wide variety of practical applications of silica. In Chapter 1, a brief review of classification, synthesis and characterization of silica is provided. The hydroxylation of silica surface i.e the number of hydroxyl (-OH) groups on the surface is of utmost importance for its practical applications. In Chapter 2, a brief introduction to surface hydration of silica is provided followed by the ...


Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic 2017 Georgia College and State University

Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic

Georgia College Student Research Events

Bromophenol blue is a common pH indicator and dye used in many different industries. Once a solution of bromophenol blue is placed in a concentrated basic solution, the color fades from a blue/violet color to clear solution with a pH of 4.6 or greater. The rate law of the reaction is analyzed through the use of a small footprint visible-near-infrared spectrometer (Vis-NIR) with a diode array detector. An absorbance wavelength of 590 nm as a function of time was collected using Ocean Optics OceanView software. The results contained in the data collection file are exported to a spreadsheet ...


Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon 2017 Georgia State University

Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon

Georgia State Undergraduate Research Conference

No abstract provided.


Hydration Site Of Cyclophilin A And Its Allosteric Effects On The Enzyme's Function, Abdullah Shouaib, Jonathan Lopez 2017 Georgia State University

Hydration Site Of Cyclophilin A And Its Allosteric Effects On The Enzyme's Function, Abdullah Shouaib, Jonathan Lopez

Georgia State Undergraduate Research Conference

No abstract provided.


Characterization Of Α-Anomeric Damaged Dna In Complex With Endonuclease Iv Using Fluorescence Resonance Energy Transfer (Fret), Beatrice Edjah 2017 Georgia State University

Characterization Of Α-Anomeric Damaged Dna In Complex With Endonuclease Iv Using Fluorescence Resonance Energy Transfer (Fret), Beatrice Edjah

Georgia State Undergraduate Research Conference

No abstract provided.


Synthesis Of 1-Phenyl-3,5-Diaryl-4-Bromopyrazoles, 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromopyrazoles, And 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromoisoxazoles., Keren Antoine, Anne K. Jean, Roseleen Almenord, Sierra A. Fleming, Titilope Akinwe, Paula Garzon, Julio C. Falcon 2017 Georgia State University

Synthesis Of 1-Phenyl-3,5-Diaryl-4-Bromopyrazoles, 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromopyrazoles, And 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromoisoxazoles., Keren Antoine, Anne K. Jean, Roseleen Almenord, Sierra A. Fleming, Titilope Akinwe, Paula Garzon, Julio C. Falcon

Georgia State Undergraduate Research Conference

No abstract provided.


Regiospecific P-Bromination Of Activated Aromatic Systems – Greener Approach, Elnaz Jalali 2017 Western Kentucky University

Regiospecific P-Bromination Of Activated Aromatic Systems – Greener Approach, Elnaz Jalali

Masters Theses & Specialist Projects

The halogenated derivatives of heterocyclic compounds (haloarenes) are highly utilized in many fields of chemistry, including drug discovery, medicinal, and material chemistry. There are a variety of ways to functionalize an aromatic system and introduce halogen substituent into the ring. However, electrophilic aromatic substitution (EAS) has been the focus of growing attention, particularly for electronrich substrates.

Electrophilic aromatic bromination protocols are one of the most important electrophilic aromatic substitution reactions. However, preparation of bromoarenes classically recommends the use of highly oxidative agents along with utilizing various metal catalysts in a halogenated solvent. The corrosive and toxic nature of these reagents ...


Theoretical Study Of Ozone Forming Recombination Reaction And Anomalous Isotope Effect Associated With It, Alexander Teplukhin 2017 Marquette University

Theoretical Study Of Ozone Forming Recombination Reaction And Anomalous Isotope Effect Associated With It, Alexander Teplukhin

Dissertations (2009 -)

The ozone forming recombination reaction stands out among many chemical processes that take place in the atmosphere. This reaction is responsible for the reconstruction of ozone layer, which protects life on Earth from harmful ultra-violate radiation and is a source of so-called anomalous isotope effect in ozone. The reaction was intensively studied, but at a very basic level. There were only couple of papers where the recombination rate coefficient was computed and found to roughly agree with the experimental data. In this dissertation, the recombination process in ozone is approached using new and efficient method, which includes several modern techniques ...


Computational Modeling Of S-Thiolation Reaction: Toward Discovering The Enzymatic Mechanisms Of Endogenous Hno Formation, Elena Ivanova 2017 Marquette University

Computational Modeling Of S-Thiolation Reaction: Toward Discovering The Enzymatic Mechanisms Of Endogenous Hno Formation, Elena Ivanova

Dissertations (2009 -)

S-nitrosothiols (RSNOs) have long been proposed as potential sources of the elusive endogenous nitroxyl (HNO) via S-thiolation reaction with thiols. It is however not clear how S-thiolation can compete with the trans-S-nitrosation pathway commonly observed in vitro. Based on the insights into the highly unusual, antagonistic chemical nature of RSNO molecules, we hypothesize that, while difficult in vitro, S-thiolation could easily lend itself to enzymatic catalysis. To explore this possibility, we adopted a bottom-up computational approach that aims to identify possible catalytic mechanisms able to steer the RSNO + thiol reaction toward HNO production. Inspired by recent discovery of small bioactive ...


Electrochemical And Modelling Studies On Simulated Spent Nuclear Fuel Corrosion Under Permanent Waste Disposal Conditions, Nazhen Liu 2017 The University of Western Ontario

Electrochemical And Modelling Studies On Simulated Spent Nuclear Fuel Corrosion Under Permanent Waste Disposal Conditions, Nazhen Liu

Electronic Thesis and Dissertation Repository

The safety assessment models for the deep geological disposal of spent nuclear fuel require a fundamental understanding of the corrosion of spent fuel in a failed waste container. The overall research goal of this project is to investigate the corrosion of simulated spent fuel under permanent disposal conditions, using both model simulations and experimental investigations. A model for fuel corrosion has been expanded to determine the relative importance of radiolytic hydrogen and hydrogen from corrosion of the steel vessel in suppressing fuel corrosion. It was shown that, for CANDU (CANada Deuterium Uranium) fuel with moderate in-reactor burnup, only micromolar concentrations ...


Catalysis In Real Time Using X-Ray Lasers, A. Nilsson, Jerry L. LaRue, H. Öberg, H. Ogasawara, M. Dell’Angela, M. Beye, H. Öström, J. Gladh, J. K. Nørskov, W. Wurth, F. Abild-Pedersen, L. G. M. Pettersson 2017 Stockholm University

Catalysis In Real Time Using X-Ray Lasers, A. Nilsson, Jerry L. Larue, H. Öberg, H. Ogasawara, M. Dell’Angela, M. Beye, H. Öström, J. Gladh, J. K. Nørskov, W. Wurth, F. Abild-Pedersen, L. G. M. Pettersson

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We describe how the unique temporal and spectral characteristics of X-ray free-electron lasers (XFEL) can be utilized to follow chemical transformations in heterogeneous catalysis in real time. We highlight the systematic study of CO oxidation on Ru(0001), which we initiate either using a femtosecond pulse from an optical laser or by activating only the oxygen atoms using a THz pulse. We find that CO is promoted into an entropy-controlled precursor state prior to desorbing when the surface is heated in the absence of oxygen, whereas in the presence of oxygen, CO desorbs directly into the gas phase. We monitor ...


Nitrate Radicals And Biogenic Volatile Organic Compounds: Oxidation, Mechanisms And Organic Aerosol, Nga Lee Ng, Steven S. Brown, Alexander T. Archibald, Elliot Atlas, Ronald C. Cohen, John N. Crowley, Douglas A. Day, Neil M. Donahue, Juliane L. Fry, Hendrik Fuchs, Robert J. Griffin, Marcelo I. Guzman, Hartmut Hermann, Alma Hodzic, Yoshiteru Iinuma, José L. Jimenez, Astrid Kiendler-Scharr, Ben H. Lee, Deborah J. Luecken, Jingqiu Mao, Robert McLaren, Anke Mutzel, Hans D. Osthoff, Bin Ouyang, Benedicte Picquet-Varrault, Ulrich Platt, Havala O. T. Pye, Yinon Rudich, Rebecca H. Schwantes, Manabu Shiraiwa, Jochen Stutz, Joel A. Thornton, Andreas Tilgner, Brent J. Williams, Rahul A. Zaveri 2017 Georgia Institute of Technology

Nitrate Radicals And Biogenic Volatile Organic Compounds: Oxidation, Mechanisms And Organic Aerosol, Nga Lee Ng, Steven S. Brown, Alexander T. Archibald, Elliot Atlas, Ronald C. Cohen, John N. Crowley, Douglas A. Day, Neil M. Donahue, Juliane L. Fry, Hendrik Fuchs, Robert J. Griffin, Marcelo I. Guzman, Hartmut Hermann, Alma Hodzic, Yoshiteru Iinuma, José L. Jimenez, Astrid Kiendler-Scharr, Ben H. Lee, Deborah J. Luecken, Jingqiu Mao, Robert Mclaren, Anke Mutzel, Hans D. Osthoff, Bin Ouyang, Benedicte Picquet-Varrault, Ulrich Platt, Havala O. T. Pye, Yinon Rudich, Rebecca H. Schwantes, Manabu Shiraiwa, Jochen Stutz, Joel A. Thornton, Andreas Tilgner, Brent J. Williams, Rahul A. Zaveri

Chemistry Faculty Publications

Oxidation of biogenic volatile organic compounds (BVOC) by the nitrate radical (NO3) represents one of the important interactions between anthropogenic emissions related to combustion and natural emissions from the biosphere. This interaction has been recognized for more than 3 decades, during which time a large body of research has emerged from laboratory, field, and modeling studies. NO3-BVOC reactions influence air quality, climate and visibility through regional and global budgets for reactive nitrogen (particularly organic nitrates), ozone, and organic aerosol. Despite its long history of research and the significance of this topic in atmospheric chemistry, a number of ...


Integration Of Orbital-Dependent Exchange-Correlation Potentials, Hanqing Zhao 2017 The University of Western Ontario

Integration Of Orbital-Dependent Exchange-Correlation Potentials, Hanqing Zhao

Electronic Thesis and Dissertation Repository

In density-functional theory, one can approximate either the exchange-correlation energy functional or the corresponding Kohn--Sham effective potential, which is then converted into an energy functional by functional integration. A directly approximated potential may depend on the electron density explicitly or implicitly through Kohn--Sham orbitals. A potential that depends on the electron density explicitly can be converted into an energy functional by evaluating the Leeuwen--Baerends line integral along some path of electron densities. We extend this technique to orbital-dependent potentials by integrating them along the path of scaled orbitals. Using this method, we assign energy expressions to the Slater, Becke--Johnson and ...


Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich 2017 Iowa State University

Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich

Chemistry Publications

Metal−semiconductor nanohybrids (or heterostructures), such as Au−CdS, have become an important class of materials because of their role in photochemical hydrogen production and in other catalytic reactions. Here we report the results of photophysical studies of the interactions of these particles with ATTO dyes (ATTO 590 and 655), which are used as fluorescent probes in a wide range of spectroscopic techniques, most notably super-resolution microscopies. The most important feature of the Au−CdS particles is that they provide the possibility of selective excitation at either their CdS or their Au domains, which absorb preferentially at wavelengths shorter or ...


Design And Activation Of Frequency Tunable 200ghz Gyrotron, Natalie Golota, Faith Scott, Edward Saliba, Brice Albert, Alexander Barnes 2017 Washington University in St. Louis

Design And Activation Of Frequency Tunable 200ghz Gyrotron, Natalie Golota, Faith Scott, Edward Saliba, Brice Albert, Alexander Barnes

Undergraduate Research Symposium Posters

Dynamic Nuclear Polarization (DNP) when combined with Nuclear Magnetic Resonance (NMR) yields high sensitivity spectra while decreasing sample acquisition time. DNP transfers polarization from electron to nuclear spins, giving a strong enhancement of NMR signal. DNP is rapidly developing area of research due in part to application of cyclotron resonance masers (gyrotron) as high power microwave sources. Gyrotrons provide a high-power, high-frequency microwave source that can be used in close proximity to high field NMR magnets. Gyrotrons are operated under strong vacuum and within a cryogenic superconducting magnetic. Gyrotron microwave power is generated by a magnetron injection gun (MIG) composed ...


C.V., Wojciech M. Budzianowski 2017 Wroclaw University of Technology

C.V., Wojciech M. Budzianowski

Wojciech Budzianowski

-


Abstract Template Resrb 2017, Wojciech M. Budzianowski 2017 Wroclaw University of Technology

Abstract Template Resrb 2017, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Order Form Resrb 2017, Wojciech M. Budzianowski 2017 Wroclaw University of Technology

Order Form Resrb 2017, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Photodynamic Cancer Therapy A Study Of The Photochemical Properties Of Meso-Tetra (2,3,4-Trifluorophenyl) Porphyrin And Meso-Tetra (2,3,5,6-Tetrafluorophenyl) Porphyrin, Delanie L. Newberry 2017 Georgia Southern University

Photodynamic Cancer Therapy A Study Of The Photochemical Properties Of Meso-Tetra (2,3,4-Trifluorophenyl) Porphyrin And Meso-Tetra (2,3,5,6-Tetrafluorophenyl) Porphyrin, Delanie L. Newberry

University Honors Program Theses

Photodynamic therapy(PDT) is a type of cancer treatment that utilizes photosensitive molecules that absorb photons and use that energy to create cytotoxic molecules. Porphyrins are photosensitive compounds that can be used selectively at the site of cancerous tumors. Their selectivity is due to the fact the porphyrins are generally not toxic in absence of light; in the presence of light, the drug will be activated to produce the cytotoxic molecule, singlet oxygen(1O2 ). 9,10 diphenyl anthracene(DPA) was used to simulate the cancer cells and monitor how effective the porphyrin was in creating 1O2, because DPA reacts with ...


Digital Commons powered by bepress