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2014

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Articles 1111 - 1140 of 1401

Full-Text Articles in Chemistry

Nature Of Second-Order Nonlinear Optical Response In Phthalocyanine Derivatives: A Density Functional Theory Study, Chiming Wang, Chao Chen, Qingqi Zhang, Dongdong Qi, Jianzhuang Jiang Jan 2014

Nature Of Second-Order Nonlinear Optical Response In Phthalocyanine Derivatives: A Density Functional Theory Study, Chiming Wang, Chao Chen, Qingqi Zhang, Dongdong Qi, Jianzhuang Jiang

Turkish Journal of Chemistry

Density functional theory was employed to investigate a series of phthalocyanine derivatives, discovering the limitation when the expansion of the conjugated system was employed to improve the hyper-Rayleigh scattering response coefficient. Furthermore, an unusually C_{\infty v}-type octupolar population was found by electrostatic potential analysis. In addition, the dynamic and static hyper-Rayleigh scattering responses (\beta_{HRS}) were simulated using the coupled perturbed density functional theory, showing an increasing dynamic \beta_{HRS} value along with an increase in incident light energy.


Thin Layer Chromatography For Forensic Science, Kseniya Chumachenko Jan 2014

Thin Layer Chromatography For Forensic Science, Kseniya Chumachenko

A with Honors Projects

For this Parkland A with Honors project, the author works to identify a good or better recipe for the solution for chromatography projects in a forensic science lab class.


การพัฒนาโปรแกรมพลศาสตร์ของไหลเชิงคำนวณสำหรับการไหลภายในท่อขนส่งน้ำมันดิบ, วันวิสา รักทอง Jan 2014

การพัฒนาโปรแกรมพลศาสตร์ของไหลเชิงคำนวณสำหรับการไหลภายในท่อขนส่งน้ำมันดิบ, วันวิสา รักทอง

Chulalongkorn University Theses and Dissertations (Chula ETD)

การขนส่งน้ำมันดิบผ่านท่อเป็นกระบวนการที่พบเห็นได้ทั่วไปในอุตสาหกรรมปิโตรเลียม น้ำมันดิบส่วนใหญ่มีความหนืดสูง อีกทั้งโดยปกติแล้วอุณหภูมิของสิ่งแวดล้อมภายนอกท่อนั้นมักจะต่ำกว่าอุณหภูมิของน้ำมันดิบภายในท่อ น้ำมันดิบจึงเกิดการสูญเสียความร้อน อุณหภูมิจะลดลงเรื่อยๆ ตามระยะทางและเวลาที่เปลี่ยนแปลงไป เมื่ออุณหภูมิของน้ำมันดิบลดลงจนถึงจุดขุ่น (Cloud point) น้ำมันดิบบางส่วนจะเปลี่ยนสถานะกลายเป็นไข (Wax) และเมื่ออุณหภูมิลดลงต่อไปเรื่อยๆ จนกระทั่งถึงจุดไหลเท (Pour point) ไขจะมีการสะสมตัวจนทำให้ท่ออุดตัน น้ำมันดิบจะไม่สามารถไหลได้ ดังนั้น การขนส่งน้ำมันดิบผ่านท่อจะไม่สามารถดำเนินการต่อได้ เพื่อป้องกันหรือลดความรุนแรงจากการสูญเสียประสิทธิภาพที่เกิดขึ้นจากไขภายในท่อขนส่ง งานวิจัยนี้จึงทำการเขียนโปรแกรมคอมพิวเตอร์ในการสร้างแบบจำลองการไหลภายในท่อขนส่งน้ำมันดิบเพื่อศึกษาพฤติกรรมการไหลที่มีความซับซ้อน และทำนายการเกิดไขในระบบท่อ ความรู้ทางพลศาสตร์ของไหลเชิงคำนวณ (Computational fluid dynamics) ถูกนำมาใช้ในการแก้ปัญหาการไหลสำหรับงานวิจัยนี้ สำหรับการพัฒนาโปรแกรมพลศาสตร์ของไหลเชิงคำนวณ แบบจำลองที่นำมาใช้มีลักษณะเป็นท่อตรงยาว และทำการแบ่งกริดในรูปแบบของกริดแบบเยื้องกัน เกิดเป็นปริมาณควบคุม ซึ่งจะเป็นตัวเก็บตัวแปรที่ต้องการคำนวณหาคำตอบ ได้แก่ ความเร็ว ความดัน อุณหภูมิ เป็นต้น โดยใช้ระเบียบวิธี ไฟไนต์วอลุมแปลงสมการเชิงอนุพันธ์ย่อยให้อยู่ในรูปสมการพีชคณิตเพื่อความสะดวกในการแก้ปัญหา ส่วนการหาคำตอบจากสมการพีชคณิตจะใช้ขั้นตอนวิธีเมทริกซ์สามแนวเฉียง ซึ่งวิธีการที่กล่าวมาข้างต้นเป็นส่วนหนึ่งในขั้นตอนวิธี Semi-Implicit Method for Pressure-Linked Equation ที่เป็นวิธีคำนวณซ้ำเพื่อให้ได้มาซึ่งคำตอบที่แม่นยำที่สุด ผลที่ได้พบว่า โปรแกรมจำลองมีความน่าเชื่อถือ โดยมีการเปรียบเทียบความถูกต้องกับการทดลองจริงและโปรแกรมสำเร็จรูป ANSYS FLUENT โปรแกรมที่ได้สามารถใช้ทำนายพฤติกรรมการไหลของน้ำมันดิบ รวมถึงการเกิดไขภายในระบบท่อได้อย่างแม่นยำ และสามารถประยุกต์ใช้กับระบบการไหลของของไหลประเภทอื่นได้อีกด้วย


Dry Reforming Of Methane In Palladium-Silver-Copper Alloy Membrane Reactor, Sarocha Sumrunronnasak Jan 2014

Dry Reforming Of Methane In Palladium-Silver-Copper Alloy Membrane Reactor, Sarocha Sumrunronnasak

Chulalongkorn University Theses and Dissertations (Chula ETD)

PdAgCu ternary alloy membranes were prepared by the sequential electroless plating of Pd following by electroplating of Ag and Cu onto stainless steel support. The metal composition of the membrane was varied by changing the metal deposition times. The fabricated membranes were then annealed at various temperatures from 500 °C to 600 °C under argon atmosphere in order to form the alloys for 20 to 120 hrs. The Energy Dispersive X-ray spectroscopy (EDX) and X-Ray Diffraction (XRD) were employed to investigate the element distribution in the membrane which provided the insight of the alloying formation. Complete formation of the alloy …


Preparation Of Polylactide/ Polycaprolactone/Hydroxyapatite Particles, Walaiporn Nguantanom Jan 2014

Preparation Of Polylactide/ Polycaprolactone/Hydroxyapatite Particles, Walaiporn Nguantanom

Chulalongkorn University Theses and Dissertations (Chula ETD)

This research focused on preparation of polylactide/polycaprolactone/hydroxyapatite particles by using the solvent evaporation method. The effects of HA loadings varied in a range of 10-40 wt% and blending ratios between PLA and PCL on the size distribution, morphology, and thermal properties of the composite films were investigated. The results showed that the size distributions of the composite particles were composed of both small and large particles, depending on the HA concentration and blending ratio of PLA/PCL. The addition of HA at 10 wt% exhibited a strong influence on the size distribution of microspheres, while the PLA/PCL blend tended to produce …


Mechanical And Thermal Properties Of Polylactide/Polymeric Plasticizers, Wanlapha Apising Jan 2014

Mechanical And Thermal Properties Of Polylactide/Polymeric Plasticizers, Wanlapha Apising

Chulalongkorn University Theses and Dissertations (Chula ETD)

The current study focused on flexibility improvement of polylactide by using three new types of plasticizers: diethyl succinate, glycerol ethoxylate, poly(di(ethylene glycol)adipate). The plasticizer concentrations were varied depending on each type. Mechanical property of the plasticized polymers was investigated. It was found that elongation at break of the plasticized polymers was increased, whereas tensile strength and Young’s modulus were decreased. The plasticized polymer with diethyl succinate exhibited the highest elongation at break. Thermal property of the plasticized polymers containing glycerol ethoxylate yielded the lowest Tg and Tc. When the plasticizers were added, thermal property was reduced, in which the plasticized …


Synthesis Of Poly(N-Isopropylacrylamide)-Based Nanogels Via Differential Microemulsion Polymerization For Drug Delivery Systems, Meshaya Pruettiphap Jan 2014

Synthesis Of Poly(N-Isopropylacrylamide)-Based Nanogels Via Differential Microemulsion Polymerization For Drug Delivery Systems, Meshaya Pruettiphap

Chulalongkorn University Theses and Dissertations (Chula ETD)

This thesis is to study the synthesis of poly(N-isopropylacrylamide-co-protic acid) nanogels and their performance to be used as drug delivery carriers. The objective is to achieve thermal/pH-responsive nanogels with a lower critical solution temperature (LCST) close to human body temperature. Differential microemulsion polymerization (DMP) technique, which has been considered the best one to produce nanoparticles of a high solid content with a low surfactant amount, was applied. Specifically, one-step DMP was used for synthesizing poly(N-isopropylacrylamide) (PNIPAM) preparation while two-step DMP was adopted to synthesize poly[N-isopropylacrylamide-co-(acrylic acid)] (poly(NIPAM-co-AA)) and poly[N-isopropylacrylamide-co-(itaconic acid)] (poly(NIPAM-co-IA)) nanogels, in which sodium dodecyl sulphate (SDS) was used …


Investigation Of Chicago Air Pollution And Meteorological Influence On Pollution Development: Physical Measurements And Multivariate Statistical Analyses, Katrina Lyn Binaku Jan 2014

Investigation Of Chicago Air Pollution And Meteorological Influence On Pollution Development: Physical Measurements And Multivariate Statistical Analyses, Katrina Lyn Binaku

Dissertations

The goal of this project was to evaluate air pollutants and meteorology in Chicago, Illinois during summers 2010, 2011, and 2012. Sixty-six collection days of air pollutant and meteorological data were completed at the Loyola University Chicago sampling station atop Mertz Hall. Trace gases, nitrogen oxides and ozone, as well as the water-soluble fraction of aerosol material were the air pollutants of focus in this study. Data analysis showed that chloride, nitrate, sulfate, and oxalate were the most frequently quantified water-soluble ions in aerosol samples, followed by acetate, formate, potassium, phosphate, calcium, and magnesium ions. Ionic ratios showed that stationary …


Biochemical Characterization Of Four Distinct Proteins, Gustavo A. Avila Jan 2014

Biochemical Characterization Of Four Distinct Proteins, Gustavo A. Avila

Open Access Theses & Dissertations

Proteins are ubiquitous in all living organisms, executing the majority of cellular functions in distinct ways. Understanding a protein's role necessitates investigating its structure and function, which are closely related. My research couples these two aspects by delving into the biochemical and structural characterization of proteins in four distinct systems, all playing central roles in numerous significant disease progressions. These four original research endeavors were all targeted for structural studies with a unifying relationship to establish our new structural biochemistry lab. These four systems are: (1) Gam1, an early adenovirus protein globally inhibiting host SUMOylation; (2) Anthrax toxin complexed with …


Application Of Stir Bar Sorptive Extraction Thermal Desorption Gas Chromatography Mass Spectrometry For The Study Of Water Accommodated Fractions Of Fossil Fuels And Biodiesel, Ricardo Mccreary Jan 2014

Application Of Stir Bar Sorptive Extraction Thermal Desorption Gas Chromatography Mass Spectrometry For The Study Of Water Accommodated Fractions Of Fossil Fuels And Biodiesel, Ricardo Mccreary

Open Access Theses & Dissertations

Even though measures are taken to decrease accidental release of crude oil and refined fuels into the aquatic environment, continued demand of such fuels--particularly in the transportation sector--pose a continued threat to the aquatic environment throughout their handling, processing, and consumption. Even though measures can be taken to remove the visible layers of fuel in water, it has been shown that constituents of these fuels--that partition into water--can have adverse health effects on the aquatic organisms at low concentrations that are not necessarily predictable through the study of the actual fuel's original composition. Consequently, this renders the need for an …


Synthesis Of Peptide-Α-Phenylthioesters Using A Solid Support With A Photoreactive Nitroindoline Moiety, Andrew Pardo Jan 2014

Synthesis Of Peptide-Α-Phenylthioesters Using A Solid Support With A Photoreactive Nitroindoline Moiety, Andrew Pardo

Open Access Theses & Dissertations

Peptide-alpha-phenylthioesters are particularly reactive starting materials for Native Chemical Ligation. Here we present a new photochemical method for the synThesis of peptide-alpha-phenylthioesters under neutral reaction conditions with various C-terminal amino acids. The peptides were synthesized by Fmoc strategy on Sieber amide resin with a photoreactive nitroindoline linker. After cleavage of the photoreactive and fully protected peptide from the beads with dilute trifluoroacetic acid an auxiliary nucleophile such as N-hydroxybenzotriazole or N-hydroxysuccinimide is used to photochemically generate the activated peptide ester in situ. Then thiophenol is introduced in the dark. This new method enabled us to synthesize peptide-alpha-phenylthioesters up to 21 …


Glyco-Modification Of Protein With O-Cyanate Chain-End Functionalized Glycopolymer Via Isourea Bond Formation, Valentinas Gruzdys, Hailong Zhang, Xue-Long Sun Jan 2014

Glyco-Modification Of Protein With O-Cyanate Chain-End Functionalized Glycopolymer Via Isourea Bond Formation, Valentinas Gruzdys, Hailong Zhang, Xue-Long Sun

Chemistry Faculty Publications

Glycoengineering aimed at addition of carbohydrates to proteins is an attractive approach to alter pharmacokinetic properties of proteins such as enhancing stability and prolonging the duration of action. We report a novel protein glyco-modification of BSA and recombinant thrombomodulin with O-cyanate chain-end functionalized glycopolymer via isourea bond formation. The protein glycoconjugates were confirmed by SDS-PAGE, western blot, and MALDI-TOF Mass Spectrometry. Protein C activation activity of the glyco-modified recombinant thrombomodulin was confirmed, proving no interference to activity from the glycopolymer modification. The isourea bond formation under mild conditions was demonstrated as an alternative method for protein modification with polymers.


The Mechanism Of Galvanic/Metal-Assisted Etching Of Silicon, Kurt W. Kolasinski Jan 2014

The Mechanism Of Galvanic/Metal-Assisted Etching Of Silicon, Kurt W. Kolasinski

Chemistry Faculty Publications

No abstract provided.


Bubbles: A Review Of Their Relationship To The Formation Of Thin Films And Porous Materials, Kurt W. Kolasinski Jan 2014

Bubbles: A Review Of Their Relationship To The Formation Of Thin Films And Porous Materials, Kurt W. Kolasinski

Chemistry Faculty Publications

No abstract provided.


Fluorescence Off-On Sensors For F-, K+, Fe3+, And Ca2+ Ions, Binglin Sui Jan 2014

Fluorescence Off-On Sensors For F-, K+, Fe3+, And Ca2+ Ions, Binglin Sui

Electronic Theses and Dissertations

Fluorescence spectroscopy has been considered to be one of the most important research techniques in modern analytical chemistry, biochemistry, and biophysics. At present, fluorescence is a dominant methodology widely used in a great number of research domains, including biotechnology, medical diagnostics, genetic analysis, DNA sequencing, flow cytometry, and forensic analysis, to name just a few. In the past decade, with the rapid development of fluorescence microscopy, there has been a considerable growth in applying fluorescence technique to cellular imaging. The distinguished merits of fluorescence techniques, such as high sensitivity, non-invasiveness, low cytotoxicity, low cost, and convenience, make it a promising …


Synthesis And Study Of Chemo-Hydrothermally Derived Water-Soluble Chitosan And Chiosan-Metal Oxide Composites, Srijita Basumallick Jan 2014

Synthesis And Study Of Chemo-Hydrothermally Derived Water-Soluble Chitosan And Chiosan-Metal Oxide Composites, Srijita Basumallick

Electronic Theses and Dissertations

Chitosan (CS) is a man-made sugar based biopolymer derived from chitin, the second most abundant natural polymer after cellulose. Chitin is sourced from crustacean species such as shrimps and crabs. The chemical structure of chitin contains N-Acetyl D-glucosamine monomer units which forms CS upon deacetylation. In CS, ?-(1-4) linked D-glucosamine units are randomly distributed. Approximately 75% - 80% sugar units contains primary amine groups in commercially available low molecular weight CS. Biodegradability, low toxicity, mucoadhesive and transfecting properties of CS polymer are attractive for applications as oral and nasal drug delivery systems. Chitosan polymer is water insoluble at neutral pH. …


Art Or Science?, Allison Marsh Jan 2014

Art Or Science?, Allison Marsh

Section 3: Imaging the Fast Moving

No abstract provided.


Ru/C: A Simple Heterogeneous Catalyst For The Amination Of Azoles Under Ligand Free Conditions, K. Harsha Vardhan Reddy, B. S.P. Anil Kumar, V. Prakash Reddy, R. Uday Kumar, Y. V.D. Nageswar Jan 2014

Ru/C: A Simple Heterogeneous Catalyst For The Amination Of Azoles Under Ligand Free Conditions, K. Harsha Vardhan Reddy, B. S.P. Anil Kumar, V. Prakash Reddy, R. Uday Kumar, Y. V.D. Nageswar

Chemistry Faculty Research & Creative Works

A ligand free Ru/C-catalyzed amination of 2-halo azoles with a broad scope of aminating reagents has been developed. A variety of 2-aminoazole derivatives were synthesized in moderate to good yields by utilizing this protocol. The methodology is operationally simple and not sensitive to air and moisture. It provides potentially useful products by using an inexpensive and recyclable catalytic system under ligand free conditions without significant loss of its catalytic activity up to four cycles. This journal is


Synthesis, Optical Properties And Photovoltaic Applications Of Hybrid Rod-Coil Diblock Copolymers With Coordinatively Attached Cdse Nanocrystals, Shaohua Li, Yong Li, Clarissa A. Wisner, Lu Jin, Nicholas Leventis, Zhonghua Peng Jan 2014

Synthesis, Optical Properties And Photovoltaic Applications Of Hybrid Rod-Coil Diblock Copolymers With Coordinatively Attached Cdse Nanocrystals, Shaohua Li, Yong Li, Clarissa A. Wisner, Lu Jin, Nicholas Leventis, Zhonghua Peng

Chemistry Faculty Research & Creative Works

The performance of hybrid solar cells based on conjugated polymers and nanostructured inorganic semiconductors is often limited by the poor interfacial interaction and the lack of controlled phase separation. Improvements are being made by building intimate contact between the two components through coordinative linkages. in this contribution, three rod-coil diblock copolymers (DCPs) of the modified poly(3-hexylthiophene)-polystyrene (P3HT-PS) type with different phosphorus-containing functional groups for binding to inorganic nanoparticles are reported. Their corresponding P3HT-PS-CdSe hybrid DCPs (HDCPs) were prepared by ligand-exchange with chemically prepared CdSe nanocrystals. the three DCPs have different size disparity between the rod and coil blocks, where the …


On Harmonic Vibrational Frequency Convergence To The Complete Basis Set Limit In Water Dimers And Hydrogen Fluoride Dimers, Amanda Hardwick Jan 2014

On Harmonic Vibrational Frequency Convergence To The Complete Basis Set Limit In Water Dimers And Hydrogen Fluoride Dimers, Amanda Hardwick

Honors Theses

This work focuses on the convergence of harmonic vibrational frequencies in the water dimer (H2O)2 and the hydrogen fluoride dimer (HF)2 to the complete basis set (CBS) limit. It also evaluates the effect of counterpoise (CP) correction procedures and the effect of sequentially removing diffuse functions from specific basis sets on the harmonic vibrational frequencies of these dimers. Computations were run using second-order Møller-Plesset perturbation theory (MP2) with large, flexible correlation consistent basis sets. This research aims to determine if removing diffuse functions can increase the speed of harmonic vibrational frequency computations without sacrificing accuracy. Results indicate that CP-correction procedures …


Raman Spectroscopic And Computational Analysis Of The Effects Of Noncovalent Interactions On Dmso, Ashton T. Nicholson Jan 2014

Raman Spectroscopic And Computational Analysis Of The Effects Of Noncovalent Interactions On Dmso, Ashton T. Nicholson

Honors Theses

Dimethyl sulfoxide (DMSO) is a widely used chemical in synthetic chemistry and also has unique and important biological applications. In the pure liquid, DMSO forms chain like structures of alternating sulfur and oxygen atoms due to its high self-association. However, it is known that DMSO/water mixtures form solutions with unique physical characteristics depending on the mole ratio. For instance, at a 1:2 ratio of DMSO/water a eutectic mixture forms with a freezing point of-70 C. Vibrational spectroscopy allows us to study the effects of noncovalent interactions when water and DMSO interact in solution. Spectral shifts can be analyzed in order …


Synthesis Of An Unsymmetrical Ccc-Nhc Pincer Ligand Precursor, Brian Spurlock Jan 2014

Synthesis Of An Unsymmetrical Ccc-Nhc Pincer Ligand Precursor, Brian Spurlock

Honors Theses

The purpose of this study was to synthesize a 3-butyl-1-(3-(3-butyl-1H-imidazol-3-ium-1-yl)phenyl)-4,5-dichloro-1H-imidazol-3-ium salt using an Ullmann-type copper coupling reaction. This salt would subsequently be metallated and evaluated for C-H bond activation and luminescence. However, NMR and MS spectra did not show evidence of conversion to the desired product under standard conditions so a model reaction was designed making use of recent findings concerning the Ullmann-type coupling of imidazoles to aryl halides. Specifically, an activated aryl halide with a larger leaving group was used with a more soluble base and a ligand for the copper. The desired product appears by ESI-MS to have …


Evaluating The Efficacy Of Small Basis Sets And The Counterpoise Procedure To Reproduce Complete Basis Set Limit Higher-Order Correlation Corrections For Weakly Bound Molecular Clusters, Cara M. Thorne Jan 2014

Evaluating The Efficacy Of Small Basis Sets And The Counterpoise Procedure To Reproduce Complete Basis Set Limit Higher-Order Correlation Corrections For Weakly Bound Molecular Clusters, Cara M. Thorne

Honors Theses

The efficacy of small basis sets and the counterpoise procedure to accurately reproduce higher-order correlation corrections, which are routinely employed to estimate CCSD(T) interaction energies at the complete basis set (CBS) limit using an additive scheme, was examined through the study of four dispersion-dominated dimer systems. The dimers of acetylene (HCCH), cyanogen (NCCN), diphosphorous (P2) and 1,4-diphosphabutadiyne (PCCP) were studied in three different configurations: cross, parallel-displaced and t-shaped at the intermolecular distance corresponding to the minimum point on the CCSD(T) potential energy curve (PEC) for each system using MP2, CCSD and CCSD(T) methods in conjunction with eight basis sets from …


Domain-Specific Probes For Calcium Binding To Neural Cadherin, Charles Ryan Humphries Jan 2014

Domain-Specific Probes For Calcium Binding To Neural Cadherin, Charles Ryan Humphries

Honors Theses

Cadherin is a major mediator of cell adhesion whose adhesive function is dependent upon calcium binding. However, the binding of calcium is not completely understood. The binding of calcium can be monitored using an abbreviated construct that contains only the first two extracellular domains (EC12) which includes two tryptophan residues, W2 and W113. Single tryptophan mutants were created which contain only W113 (W2A) and W2 (W113F). Fluorescence spectra were obtained of W2A, W113F, and WT in the presence and absence of calcium. Calcium titration data were collected for each protein. In both experiments, calcium binding increased the fluorescence signal of …


Identification Of A Phytotoxic Fungus And An Investigation Into The Isolation Of Its Phytotoxic Constituents, William E. Briscoe Jan 2014

Identification Of A Phytotoxic Fungus And An Investigation Into The Isolation Of Its Phytotoxic Constituents, William E. Briscoe

Honors Theses

A fungus was isolated from Hedera helix (English ivy) leaves experiencing necrosis and identified as Diaporthe eres by molecular techniques. The fungus was grown in potato dextrose broth medium and the culture medium was extracted with ethyl acetate. Bioassay guided fractionation of ethyl acetate extract of culture filtrate of this fungus led to the isolation of two phytotoxic compounds that are active against the seed germination of the monocotyledon Agrostis stolonifera at 1 mg mL-1. Structures of these active compounds were determined by spectroscopic methods and were determined 8-hydroxy-3.7-dimethylisochroman-1-one and 2-(4-hydroxyphenyl)-ethanol. This is the first finding presented on the phytotoxic …


Anchoring The Potential Energy Surfaces Of Homogenous And Heterogenous Dimers Of Formaldehyde And Thiofomaldehyde, Christina M. Holy Jan 2014

Anchoring The Potential Energy Surfaces Of Homogenous And Heterogenous Dimers Of Formaldehyde And Thiofomaldehyde, Christina M. Holy

Honors Theses

This work characterizes five stationary points of the formaldehyde dimer, (CH2O)2, two of which are minima, seven newly-identified stationary points of the formaldehyde/thioformaldehyde (mixed) dimer, CH2O/CH2S, four of which are minima, and five newly-identified stationary points of the thioformaldehyde dimer, (CH2S)2 , three of which are minima. Full geometry optimizations and corresponding harmonic vibrational frequencies were performed on CH2O and CH2S as well as each of the dimer configurations (Figures 3-5). The computations were carried out with second order Møller-Plesset perturbation theory (MP2), with the heavy-auc-cc-pVTZ (haTZ) basis set. Additionally, thirteen density functional theory methods were employed: B3LYP, B3LYP-D3, B3LYP-D3(BJ), …


A Kinetic Analysis Of The Inhibition Of Fox-4 Β-Lactamase, A Plasmid-Mediated Ampc Cephalosporinase, By Monocyclic Β-Lactams And Carbapenems, Krisztina M. Papp-Wallace, Susana Mallo, Christopher R. Bethel, Magdalena A. Taracila, Andrea M. Hujer, Ana Fernandez, Julian A. Gatta, Kerri M. Smith, Yan Xu, Malcolm G.P. Page, Eric Desarbre, German Bou, Robert A. Bonomo Jan 2014

A Kinetic Analysis Of The Inhibition Of Fox-4 Β-Lactamase, A Plasmid-Mediated Ampc Cephalosporinase, By Monocyclic Β-Lactams And Carbapenems, Krisztina M. Papp-Wallace, Susana Mallo, Christopher R. Bethel, Magdalena A. Taracila, Andrea M. Hujer, Ana Fernandez, Julian A. Gatta, Kerri M. Smith, Yan Xu, Malcolm G.P. Page, Eric Desarbre, German Bou, Robert A. Bonomo

Chemistry Faculty Publications

Abstract: Objectives: Class C β-lactamases are prevalent among Enterobacteriaceae; however, these enzymes are resistant to inactivation by commercially available β-lactamase inhibitors. In order to find novel scaffolds to inhibit class C β-lactamases, the comparative efficacy of monocyclic β-lactam antibiotics (aztreonam and the siderophore monosulfactam BAL30072), the bridged monobactam β-lactamase inhibitor BAL29880, and carbapenems (imipenem, meropenem, doripenem and ertapenem) were tested in kinetic assays against FOX-4, a plasmid-mediated class C β-lactamase (pmAmpC). Methods: The FOX-4 β-lactamase was purified. Steady-state kinetics, electrospray ionization mass spectrometry (ESI-MS) and ultraviolet difference (UVD) spectroscopy were conducted using the β-lactam scaffolds described. Results: The Ki values …


Vanadium Complexes Are In Vitro Inhibitors Of Leishmania Secreted Acid Phosphatases, Richard Mendez, Benjamin M. Dorsey, Craig C. Mclauchlan, Matt Beio, Timothy L. Turner, Victoria H. Nguyen, Alexander Su, William Beynon, Jon A. Friesen, Marjorie A. Jones Jan 2014

Vanadium Complexes Are In Vitro Inhibitors Of Leishmania Secreted Acid Phosphatases, Richard Mendez, Benjamin M. Dorsey, Craig C. Mclauchlan, Matt Beio, Timothy L. Turner, Victoria H. Nguyen, Alexander Su, William Beynon, Jon A. Friesen, Marjorie A. Jones

Faculty Publications – Chemistry

Leishmaniasis is a parasitic disease caused by the protozoa Leishmania. These organisms secrete acid phosphatases during their growth cycle as an important part of cell targeting to host macrophage cells thus allowing for a successful infection. Secreted acid phosphatases (SAP) are reported to play a significant role in the survival of Leishmania cells, thus evaluation of these enzymes is of interest. The inhibition of SAP can be the focus of a new drug therapy. We tested for SAP activity from Leishmania tarentolae following the addition of a series of vanadium complexes including decavanadate. Cell cultures at different stages in their …


Novel Tuberculostatic Agents Suitable For Treatment Of Mycobacterium Tuberculosis Infections Of The Central Nervous System, Ronald Bartzatt, Preeti Sule, Suat L.G. Cirillo, Jeffrey D. Cirillo Jan 2014

Novel Tuberculostatic Agents Suitable For Treatment Of Mycobacterium Tuberculosis Infections Of The Central Nervous System, Ronald Bartzatt, Preeti Sule, Suat L.G. Cirillo, Jeffrey D. Cirillo

Chemistry Faculty Publications

Aims: To demonstrate the efficacy of five small molecule compounds for inhibiting the growth of Mycobacterium tuberculosis. To present evidence that these compounds will penetrate into the central nervous system.

Study Design: Five small molecule compounds bearing a hydrazide group were synthesized utilizing microwave excitation. These compounds were then placed into tissue culture with Mycobacterium tuberculosis at various concentrations for evaluation of bacterial growth inhibition.

Place and Duration of Study: The compounds to be tested were prepared at the University of Nebraska Chemistry Department August 2013. The evaluation of antibacterial activity was determined at the Texas A&M Health Science …


Position Of Premature Termination Codons Determines Susceptibility Of Herg Mutations To Nonsense-Mediated Mrna Decay In Long Qt Syndrome, Qiuming Gong, Matthew R. Stump, Zhengfeng Zhou Jan 2014

Position Of Premature Termination Codons Determines Susceptibility Of Herg Mutations To Nonsense-Mediated Mrna Decay In Long Qt Syndrome, Qiuming Gong, Matthew R. Stump, Zhengfeng Zhou

Faculty Publications - Department of Biological & Molecular Science

The degradation of human ether-a-go-go-related gene (hERG, KCNH2) transcripts containing premature termination codon (PTC)mutations by nonsense-mediatedmRNA decay (NMD) is an importantmechanismof long QT syndrome type 2 (LQT2). The mechanisms governing the recognition of PTC-containing hERG transcripts asNMD substrates have not been established. We used a minigene system to study two frameshift mutations, R1032Gfs*25 and D1037Rfs*82. R1032Gfs*25 introduces a PTC in exon 14, whereas D1037Rfs*82 causes a PTC in the last exon (exon 15). We showed that R1032Gfs*25, but not D1037Rfs*82, reduced the level of mutant mRNA compared to thewild-type minigene in an NMD-dependent manner. The deletion of intron 14 prevented …