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

Chemistry Commons™

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

2018

Discipline
Institution
Keyword
Publication
Publication Type
File Type

Articles 721 - 750 of 1672

Full-Text Articles in Chemistry

Errata For Manuscript #34, Carl W. David, Jan Siroky Apr 2018

Errata For Manuscript #34, Carl W. David, Jan Siroky

Chemistry Education Materials

An error in manuscript 34 of this collection concerning the Laplacian in spherical polar coordinates is corrected.

Go to article

Evaluation Of Cafo Dairy Manure Treatment To Reduce Nutrient Transport, Jenna Laib Apr 2018

Evaluation Of Cafo Dairy Manure Treatment To Reduce Nutrient Transport, Jenna Laib

Honors Projects

Excess amounts of phosphorus and nitrogen flowing into Lake Erie from agricultural fields in Northwest Ohio has led to several harmful algal blooms (HABs). One potential source of those nutrients is manure applied to fields for fertilizer. Manure from confined animal feeding operations (CAFOs) is 95-98% water with only ~3% solids and nutrients, thus physical transportation is expensive relative to the value of the agricultural nutrients. Furthermore, once manure nutrients are applied to agricultural fields, they are relatively easily mobilized to waterways by precipitation. More than 800 lab-scale tests have been used to optimize the treatment of CAFO manure with …

Go to article

Synthesis Of A Silsesquioxane Based Supramolecular Polymer, Rachel Bianculli Apr 2018

Synthesis Of A Silsesquioxane Based Supramolecular Polymer, Rachel Bianculli

Honors Projects

Research toward smart materials, specifically self-healing polymers, is an expanding topic within the materials science field. These materials rely heavily on dynamic crosslinking that is achieved by inducing different degrees of hydrogen bonding, van der Waals forces, etc. This work, demonstrated by research previously done within the Ostrowski research group, shows how coordination bonds of transition metals have been shown to create light activated, self-healing properties. Work done with these light-activated chromium (III) complexes with a poly(butylyene-co-ethylene) backbone have shown how metal—ligand coordination geometries can tune mechanical properties of the polymeric material. However, these materials suffer from being incredibly soft …

Go to article

A Label-Free Immunosensor Based On K3[Fe(Cn)6] And Aldehyde-Functionalized Pyridinium, Xia Hu, You-Ming Shen, Guang-Yu Shen Apr 2018

A Label-Free Immunosensor Based On K3[Fe(Cn)6] And Aldehyde-Functionalized Pyridinium, Xia Hu, You-Ming Shen, Guang-Yu Shen

Journal of Electrochemistry

A novel aldehyde-functionalized pyridinium was successfully synthesized. Using K3[Fe(CN)6] as a redox species modified on the surface of the electrode through Poly(diallyldimethylammonium chloride), we developed a label-free immunosensor based on aldehyde-functionalized pyridinium that was applied to simplify antibody immobilization on the electrode surface, in which no additional chemical cross-linking was required. In addition, the introduction of K3[Fe(CN)6] on the surface of electrode avoided the use of other redox species in the electrolyte solution. Under the optimal experimental conditions, differential pulse voltammetry (DPV) signals corresponding to different α-Fetoprotein (AFP) concentrations were measured. After …

Go to article

One-Step Co-Deposition Of Zsm-5/Pani/Pss Electroactive Film And Its Kinetics Characteristics Of Electrochemical Control Selective Separation For Pb2+ Ions, Wen-Lei Qiao, Xiao Du, Feng-Feng Gao, Jun-Lan Zheng, Sha-Sha Li, Xiao-Gang Hao Apr 2018

One-Step Co-Deposition Of Zsm-5/Pani/Pss Electroactive Film And Its Kinetics Characteristics Of Electrochemical Control Selective Separation For Pb2+ Ions, Wen-Lei Qiao, Xiao Du, Feng-Feng Gao, Jun-Lan Zheng, Sha-Sha Li, Xiao-Gang Hao

Journal of Electrochemistry

A novel electroactive composite film consisting of ZSM-5/polyaniline/polystyrene sulfonate(ZSM-5/PANI/PSS) was prepared by double pulse one step co-deposition method. The ZSM-5/PANI/PSS composite film was characterized by FT-IR, SEM, XRD, and XPS techniques. The highly crystalline nano-ZSM-5 was synthesized by hydrothermal method, which could be evenly dispersed in aqueous solution by ultrasonic treatment. The synthesis condition of composite film was optimized through changing the pH value of solution. The ZSM-5/PANI/PSS composite film showed higher adsorption capacity for Pb2+ ions. Langmuir model was applied to analyze the adsorption process. The adsorption capacity of composite film for Pb2+ ions was 235 mg·g …

Go to article

Numerical Simulation Of Output Performance In Pemfc, Xin Luo, Shi-Zhong Chen, Yu-Hou Wu Apr 2018

Numerical Simulation Of Output Performance In Pemfc, Xin Luo, Shi-Zhong Chen, Yu-Hou Wu

Journal of Electrochemistry

The COMSOL software was used to analyze the output performances in proton exchange membrane fuel cell(PEMFC) under three kinds of flow fields. Under the same operating conditions, the performance differences among single serpentine flow field, interdigitated flow field and mixed flow field are compared, and the causes of the differences in the output performances of PEMFC under three kinds of flow fields were analyzed. The simulation results showed that the output performance of the mixed flow field was the best, the output performance of the interdigitated flow field the second and the output performance of single serpentine flow field the …

Go to article

Synthesis And Electrochemical Properties Of Li3V2(Bo3)3/C Anode Materials For Lithium-Ion Batteries, You Wang, Yi-Wen Zeng, Xing Zhong, Xing Liu, Quan Tang Apr 2018

Synthesis And Electrochemical Properties Of Li3V2(Bo3)3/C Anode Materials For Lithium-Ion Batteries, You Wang, Yi-Wen Zeng, Xing Zhong, Xing Liu, Quan Tang

Journal of Electrochemistry

The Li3V2(BO3)3/C (LVB/C) composite materials were successfully synthesized in two steps:Firstly, a stoichiomertric mixture of Li2C2O4, V2O5, H3BO3, H2C2O4•H2O and ethanol was thoroughly ball-milled to get the precursors. Secondly, the precursors were post-calcinated to get the ultimate products. The calcination temperatures of 750 ℃, 800 ℃ and 850 ℃ were selected based on TG-DTA analyses. The crystal structures, surface morphologies and carbon contents of the samples calcinated at five conditions, …

Go to article

Electrochemical Performance Of Moo2-C Composite Coatings, Quan-Yi Li, Qi Yang, Yan-Hong Zhao Apr 2018

Electrochemical Performance Of Moo2-C Composite Coatings, Quan-Yi Li, Qi Yang, Yan-Hong Zhao

Journal of Electrochemistry

The molybdenum dioxide-carbon(MoO2-C)composite coatings on the surface of Cu foils were prepared by simple knife coating route and followed by sintering in vacuum. The morphology, composition, structure and electrochemical performance of the MoO2-C composite coatings were investigated. The results demonstrated that the MoO2-C composite coatings consist of MoO2 nano-particles with monoclinic crystal structure and amorphous carbon. Some MoO2 nano-particles with a size range of 5-30nm were loaded on the surface of carbon matrices; while some MoO2 nano-particles with a size of ~5nm were encapsulated inside. The composite coatings showed porous structure …

Go to article

Solid-Phase Synthesis Of Azole-Comprising Peptidomimetics And Coordination Of A Designed Analog To Zn2+, Aanchal Mohan, Allyson H. M. Koh, Gregory Gate, Anna L. Calkins, Kyra N. Mccomas, Amelia A. Fuller Apr 2018

Solid-Phase Synthesis Of Azole-Comprising Peptidomimetics And Coordination Of A Designed Analog To Zn2+, Aanchal Mohan, Allyson H. M. Koh, Gregory Gate, Anna L. Calkins, Kyra N. Mccomas, Amelia A. Fuller

Chemistry and Biochemistry

Peptidomimetics that can coordinate transition metals have a variety of potential applications as catalysts, sensors, or materials. A new modular peptidomimetic scaffold, the “azole peptoid”, is introduced here. We report methods for the solid-phase synthesis of eleven examples of trimeric N-substituted oligoamides that include oxazole- or thiazole-functionalized backbones. The products prepared comprise a diversity of functionality, including a metal-coordinating terpyridine group. The modular synthetic approach enables ready preparation of analogs for specific applications. To highlight a potential use of this new synthetic scaffold, a trimeric azole peptoid functionalized with a terpyridine residue was prepared and studied. The characteristic 2:1 ligand:metal …

Go to article

Preparation Of Ni(Dpim)2Cl2 Complex For The Electrocatalytic Reduction Of Co2, Li-Pu Zhang, Dong-Fang Niu, Xin-Sheng Zhang Apr 2018

Preparation Of Ni(Dpim)2Cl2 Complex For The Electrocatalytic Reduction Of Co2, Li-Pu Zhang, Dong-Fang Niu, Xin-Sheng Zhang

Journal of Electrochemistry

A new Ni(dpim)2Cl2complex using 2-(diphenylphosphino)-1-methylimidazole (dpim) as ligand was prepared and served as a catalyst for the electrochemical reduction of CO2. The electrochemical redox behavior of Ni(dpim)2Cl2 in CH3CN/TPABF4 solution under nitrogen atmosphere showed the two-electron irreversible reduction at -0.7 V and one-electron quasi-reversible reduction at -1.3 V. After bubbling CO2 into the electrolyte, the reduction peak appeared at -1.3 V became irreversible and the peak current increased from 0.48 mA·cm-2 to 0.55 mA·cm-2. Moreover, the peak current at -1.3 V could further increase …

Go to article

Preparation Of Co3O4/Ti Electrocatalytic Membrane Electrode For Catalytic Oxidation Of Benzyl Alcohol, Yu-Mei Zheng, Zhen Yin, Hong Wang, Jian-Xin Li Apr 2018

Preparation Of Co3O4/Ti Electrocatalytic Membrane Electrode For Catalytic Oxidation Of Benzyl Alcohol, Yu-Mei Zheng, Zhen Yin, Hong Wang, Jian-Xin Li

Journal of Electrochemistry

The cobalt oxide(Co3O4) nanoparticles were loaded on microporous Ti membrane to prepare Co3O4/Ti electrocatalytic membrane electrode by dip-coating method. The microstructures and electrochemical properties of Co3O4/Ti electrocatalytic membrane were investigated. The Co3O4/Ti electrocatalytic membrane reactor (ECMR) assembled by using the Co3O4/Ti electrocatalytic membrane as an anode was adopted for catalytic oxidation of benzyl alcohol to produce benzaldehyde and benzoic acid.The effects of different operation parameters on benzyl alcohol conversion, and selectivity to benzaldehyde and benzoic acid of ECMR were studied. …

Go to article

Electrochemical Oxidation Of P-Chlorophenol On Porous Ti/Bdd Electrode Cooperated With Cathode Dechlorination, Rong-Ling Chen, Wei-Min Huang, Ya-Peng He, Jun Shi, Hai-Bo Lin Apr 2018

Electrochemical Oxidation Of P-Chlorophenol On Porous Ti/Bdd Electrode Cooperated With Cathode Dechlorination, Rong-Ling Chen, Wei-Min Huang, Ya-Peng He, Jun Shi, Hai-Bo Lin

Journal of Electrochemistry

The electrochemical oxidation of p-chlorophenol on porous Ti/BDD electrode cooperated with synergistic effect of cathode dechlorination was studied. Electrochemical degradation tests of p-chlorophenol were conducted in single and double compartment electrolytic cells separately, and the results showed that the mineralization happened mainly in the anode region. The product of chloride ions produced from the cathodic reduction of 4-chlorophenol in the single cell migrated to the anode region and further generated active chlorine toward electro-catalytic oxidation. At the same time, the chloride ion produced from the cathode of the double cell was difficult to be migrated to the anode region, which …

Go to article

Preparation And Properties Of Manganese Oxide And Polyaniline-Carbon Composite Electrode, Tian-Tian Zhou, Bing Wu, Chao Deng, Ying Gao Apr 2018

Preparation And Properties Of Manganese Oxide And Polyaniline-Carbon Composite Electrode, Tian-Tian Zhou, Bing Wu, Chao Deng, Ying Gao

Journal of Electrochemistry

The polyaniline-carbon (PAnC) electrode was prepared by the polymerization of aniline monomer and activated carbon in ice water bath, and followed by chemical deposition of manganese dioxide MnO2-PAnC composite material. The specific capacitance of MnO2-PAnC reached 459 F•g-1. The cyclic voltammetric results showed a small deformation in the voltammogram curve obtained with the MnO2-PAnC electrode at high scan rate, indicating good reversibility and capacitive properties. The AC impedance results revealed that the MnO2-PAnC electrode displayed the smallest charge transfer resistance and the fastest diffusion
rate of surface ions than other …

Go to article

Preparations And Corrosion Protection Investigations Of Diethylene Triamine Penta(Methylene Phosphonic Acid)-Zn2+ Conversion Coatings On Cold Rolled Steel Substrates, Wei He, Ru Yan, Ying-Qi Wang, Xiang Gao, Hou-Yi Ma Apr 2018

Preparations And Corrosion Protection Investigations Of Diethylene Triamine Penta(Methylene Phosphonic Acid)-Zn2+ Conversion Coatings On Cold Rolled Steel Substrates, Wei He, Ru Yan, Ying-Qi Wang, Xiang Gao, Hou-Yi Ma

Journal of Electrochemistry

Novel diethylene triamine penta(methylene phosphonic acid) (DTPMPA)-zinc ion (Zn2+) conversion coatings with uniform blue color and excellent corrosion protection were directly formed on the cold rolled steel (CRS) substrates by immersing a CRS plate into the film-forming solutions containing the appropriate concentrations of DTPMPA and Zn2+ ion at the proper pH. In this paper, surface morphologies and elemental compositions of DTPMPA-Zn2+ conversion coatings were characterized by SEM and EDS, respectivey. The surface functional groups, chemical constituents and binding modes to the substrates were investigated by means of FTIR and XPS methods. The influences of DTPMPA concentrations …

Go to article

Simulation Analysis In Dynamic Performance Of Proton Exchange Membrane Fuel Cell Under Starting Condition, Yan Xiao, Ying-Jie Chang, Wei Zhang, Qiu-Hong Jia Apr 2018

Simulation Analysis In Dynamic Performance Of Proton Exchange Membrane Fuel Cell Under Starting Condition, Yan Xiao, Ying-Jie Chang, Wei Zhang, Qiu-Hong Jia

Journal of Electrochemistry

Based on the equivalent circuit model, by considering both the dynamic gas pressure model and the dynamic heat transfer model, a lumped parameter model is developed. The start process of the fuel cell is simulated by using SIMULINK software. The undershoot of the voltage is observed from the simulation results, and the response time of the voltage is basically the same as that of the fuel cell temperature, which indicates that the temperature has great influence on the dynamic performance of the fuel cell. From the perspective of the temperature, the dynamic responses of the thermodynamic potential, the activation overvoltage, …

Go to article

Interaction Between Energy And Electrocatalysis —— A Review On The 1st Young Scientist Forum On Energy Electrocatalysis, Hong Li, Wen-Bin Cai Apr 2018

Interaction Between Energy And Electrocatalysis —— A Review On The 1st Young Scientist Forum On Energy Electrocatalysis, Hong Li, Wen-Bin Cai

Journal of Electrochemistry

No abstract provided.

Go to article

Effects Of Rotating Magnetic Fields On Pem Fuel Cell Performance, Mao-Liang Wu, En-Ze Wang, Guang-De Pan, Zhong-Jun Liu, Fei Xie Apr 2018

Effects Of Rotating Magnetic Fields On Pem Fuel Cell Performance, Mao-Liang Wu, En-Ze Wang, Guang-De Pan, Zhong-Jun Liu, Fei Xie

Journal of Electrochemistry

Proton Exchange Membrane (PEM) fuel cell performance may be improved by application of additional magnetic fields. In this work, one square permanent magnet, made of either 16 combination cylinder magnets with homopolarity or 16 combination cylinder magnets with heteropolarity, was exerted on the fuel cell surface to produce additional magnetic field affecting PEM fuel cell performance. The influences of magnetic field status (rotating, static and none) on polarization and power density curves measured in a PEM fuel cell were investigated. The results verified the benefit of magnetic field, proving that the magnetic field distribution could improve the fuel cell output. …

Go to article

Examining The Bacterial Methionine Transporter Utilizing Soluble Lipid Bilayer Systems, Gabrielle Isabelle Servito, Michael Winslow, Dennis Hicks, Lyle Patrick Ureta Apr 2018

Examining The Bacterial Methionine Transporter Utilizing Soluble Lipid Bilayer Systems, Gabrielle Isabelle Servito, Michael Winslow, Dennis Hicks, Lyle Patrick Ureta

Creative Activity and Research Day - CARD

The phospholipid bilayer present in both eukaryotes and prokaryotes regulates the cell’s acquisition of nutrients and excretion of waste. Studies on the complex components of the lipid bilayer have paved the way for learning about the selective permeability of the membrane. It is of great interest to understand how materials are being transported through transmembrane proteins in relation to the electrochemical gradient. Investigation into the mechanistic properties of these transport proteins, particularly ATP-binding cassettes (ABC) transporters, can clarify how substrates are being transported via the binding and hydrolysis of adenosine triphosphate (ATP). The study of ABC transporters is significant in …

Go to article

Ligand Substitution Of Ruthenium (Ii) Complexes That Elicit Physical And Chemical Changes, Dakota Tan, Megan Farley, Jeff Curtis, John Hendrix Apr 2018

Ligand Substitution Of Ruthenium (Ii) Complexes That Elicit Physical And Chemical Changes, Dakota Tan, Megan Farley, Jeff Curtis, John Hendrix

Creative Activity and Research Day - CARD

Over the last few years the exploration into ruthenium compounds and the field of coordination chemistry have grown. Ruthenium (II) and ruthenium (III) carry oxidation states that accommodate six-coordinated octahedral configurations in which axial attached ligands can determine chemical and steric properties. UV/Vis spectrometry, H1 NMR, and electrochemical voltammetry will be used to gather data from previously synthesized ruthenium (II) coordination complexes. We hope that by substituting various R groups on three different locations of our ruthenium (II) complex we will be able to control for many physical and chemical changes. After collecting the data from all three complimentary techniques …

Go to article

Depolymerization Of Trityl End-Capped Poly(Ethyl Glyoxylate): Potential Applications In Smart Packaging, Bo Fan, Romulo Salazar, Elizabeth R. Gillies Apr 2018

Depolymerization Of Trityl End-Capped Poly(Ethyl Glyoxylate): Potential Applications In Smart Packaging, Bo Fan, Romulo Salazar, Elizabeth R. Gillies

Chemistry Publications

The temperature-dependent depolymerization of self-immolative poly(ethyl glyoxylate) (PEtG) capped with triphenylmethyl (trityl) groups was studied and its potential application for smart packaging was explored. PEtGs with four different trityl end-caps were prepared and found to undergo depolymerization to volatile products from the solid state at different rates depending on temperature and the electron-donating substituents on the trityl aromatic rings. Through the incorporation of hydrophobic dyes including Nile red and IR-780, the depolymerization was visualized as a color change of the dye as it changed from a dispersed to aggregated state. The ability of this platform to provide information on thermal …

Go to article

Practical Spectrophotometric Assay For The Dape-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, A Potential Antibiotic Target, Tahira K. Heath, Marlon R. Lutz Jr., Cory T. Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Hotz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker Apr 2018

Practical Spectrophotometric Assay For The Dape-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, A Potential Antibiotic Target, Tahira K. Heath, Marlon R. Lutz Jr., Cory T. Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Hotz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker

Chemistry: Faculty Publications and Other Works

A new enzymatic assay for the bacterial enzyme succinyl-diaminopimelate desuccinylase (DapE, E.C. 3.5.1.18) is described. This assay employs N6-methyl-N2-succinyl-L,L-diaminopimelic acid (N6-methyl-L,L-SDAP) as the substrate with ninhydrin used to detect cleavage of the amide bond of the modified substrate, wherein N6-methylation enables selective detection of the primary amine enzymatic product. Molecular modeling supported preparation of the mono-N6-methylated-L,L-SDAP as an alternate substrate for the assay, given binding in the active site of DapE predicted to be comparable to the endogenous substrate. The alternate substrate for the assay, N6 …

Go to article

Ring Opening Polymerization, Zoua Pa Vang Apr 2018

Ring Opening Polymerization, Zoua Pa Vang

Celebrating Scholarship and Creativity Day (2018-)

The goal of the research discussed in this paper is to demonstrate that N-heterocyclic carbenes can be bonded to a transition metal center resulting in a complex that is able to effectively catalyze the ring opening polymerization of caprolactone. While N-Heterocyclic carbene ligands have been documented as effective catalysts for the ring opening polymerization (ROP) of lactones and lactides, less is known about the catalytic abilities of these ligands when bound to a labile metal center. This article focuses on examining the synthesis and reactivity of different transition metal complexes containing tin, zinc, aluminium and titanium metal centers. In addition …

Go to article

Practical Spectrophotometric Assay For The Dape-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, A Potential Antibiotic Target, Tahirah K. Heath, Marlon R. Lutz Jr., Cory Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Holz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker Apr 2018

Practical Spectrophotometric Assay For The Dape-Encoded N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase, A Potential Antibiotic Target, Tahirah K. Heath, Marlon R. Lutz Jr., Cory Reidl, Estefany R. Guzman, Claire A. Herbert, Boguslaw P. Nocek, Richard C. Holz, Kenneth W. Olsen, Miguel A. Ballicora, Daniel P. Becker

Chemistry Faculty Research and Publications

A new enzymatic assay for the bacterial enzyme succinyl-diaminopimelate desuccinylase (DapE, E.C. 3.5.1.18) is described. This assay employs N6-methyl-N2-succinyl-L,L-diaminopimelic acid (N6-methyl-L,L-SDAP) as the substrate with ninhydrin used to detect cleavage of the amide bond of the modified substrate, wherein N6-methylation enables selective detection of the primary amine enzymatic product. Molecular modeling supported preparation of the mono-N6-methylated-L,L-SDAP as an alternate substrate for the assay, given binding in the active site of DapE predicted to be comparable to the endogenous substrate. The alternate substrate for the assay, N6 …

Go to article

Synthesis And Characterization Of A Model Multi-Copper Oxidase, Joshua Gavin Apr 2018

Synthesis And Characterization Of A Model Multi-Copper Oxidase, Joshua Gavin

Celebrating Scholarship and Creativity Day (2018-)

Multi-copper oxidases possess an unusual triangular copper complex; ceruloplasmin is an example. Ceruloplasmin oxidizes iron from the ferrous state to the ferric state, assisting in iron transport. This oxidn. is coupled with the redn. of dioxygen to water, the mechanism of which is unclear. In order to elucidate more the mechanism of redn., this study focuses on the synthesis and characterization of a novel copper (I) complex with a new tapma-based ligand. This tapma ligand is modeled after the tris (2-pyridylmethyl) amine-based (tpma) ligand family where nitrogen based donors are employed. This tapma ligand is synthesized from 1,3,5-tris(azidomethyl)-2,4,6-triethylbenzene in a …

Go to article

Conformational Studies Of Gram-Negative Bacterial Quorum Sensing Acyl Homoserine Lactone (Ahl) Molecules: The Importance Of The N→* Interaction, Fintan Kelleher, Goar Sánchez-Sanz, Darren Crowe, Alan Nicholson, Adrienne Fleming Apr 2018

Conformational Studies Of Gram-Negative Bacterial Quorum Sensing Acyl Homoserine Lactone (Ahl) Molecules: The Importance Of The N→* Interaction, Fintan Kelleher, Goar Sánchez-Sanz, Darren Crowe, Alan Nicholson, Adrienne Fleming

Articles

A 1H NMR study shows the presence of intermolecular hydrogen bonds for AHLs in CDCl3 solution. A detailed computational study of the structure of AHLs and the relative stability between the extended conformations (X) and those showing n→p* interactions (np) have been carried out by means of DFT calculations. Solvent effects have been shown to be very important when stabilising np conformations, particularly with polar solvents. This was shown by the shortening of C···O intramolecular distances and the increase in the relative energies favouring the np conformation with the dielectric constant of the solvent. …

Go to article

Effect Of Magnesium Bond On The Competition Between Hydrogen Bond And Halogen Bond And The Induction Of Proton And Halogen Transfer, Hui-Li Xu, Qing-Zhong Li, Steve Scheiner Apr 2018

Effect Of Magnesium Bond On The Competition Between Hydrogen Bond And Halogen Bond And The Induction Of Proton And Halogen Transfer, Hui-Li Xu, Qing-Zhong Li, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

HOX (X=Cl, Br, I, and At) can engage in either a H‐bond (HB) or halogen bond (XB) with a base‐like HCN, NH3, and imidazole. Although the former is energetically preferred for X=Cl and Br, it is the XB that is more stable for At, with I showing little preference. MgY2 forms a Mg‐bond with the O atom of HOX, which grows stronger in the order X=Cl

Go to article

Department Of Chemistry And Biochemistry 23rd Departmental Symposium In Conjunction With The Petersheim Academic Exposition, Seton Hall University Apr 2018

Department Of Chemistry And Biochemistry 23rd Departmental Symposium In Conjunction With The Petersheim Academic Exposition, Seton Hall University

Petersheim Academic Exposition

No abstract provided.

Go to article

Methylated Dnmt1 And E2f1 Are Targeted For Proteolysis By L3mbtl3 And Crl4dcaf5 Ubiquitin Ligase, Feng Leng, Jiekai Yu, Chunxiao Zhang, Salvador Alejo, Nam Hoang, Hong Sun, Fei Lu, Hui Zhang Apr 2018

Methylated Dnmt1 And E2f1 Are Targeted For Proteolysis By L3mbtl3 And Crl4dcaf5 Ubiquitin Ligase, Feng Leng, Jiekai Yu, Chunxiao Zhang, Salvador Alejo, Nam Hoang, Hong Sun, Fei Lu, Hui Zhang

Chemistry and Biochemistry Faculty Research

Many non-histone proteins are lysine methylated and a novel function of this modification is to trigger the proteolysis of methylated proteins. Here, we report that the methylated lysine 142 of DNMT1, a major DNA methyltransferase that preserves epigenetic inheritance of DNA methylation patterns during DNA replication, is demethylated by LSD1. A novel methyl-binding protein, L3MBTL3, binds the K142-methylated DNMT1 and recruits a novel CRL4DCAF5 ubiquitin ligase to degrade DNMT1. Both LSD1 and PHF20L1 act primarily in S phase to prevent DNMT1 degradation by L3MBTL3-CRL4DCAF5. Mouse L3MBTL3/MBT-1 deletion causes accumulation of DNMT1 protein, increased genomic DNA methylation, and late embryonic lethality. …

Go to article

Solution Growth And Thermal Treatment Of Crystals Lead To Two New Forms Of 2-((2,6-Dimethylphenyl)Amino)Benzoic Acid, Rong Hu, Yunping Zhoujin, Meng Liu, Mingtao Zhang, Sean Parkin, Panpan Zhou, Jianzhi Wang, Faquan Yu, Sihui Long Apr 2018

Solution Growth And Thermal Treatment Of Crystals Lead To Two New Forms Of 2-((2,6-Dimethylphenyl)Amino)Benzoic Acid, Rong Hu, Yunping Zhoujin, Meng Liu, Mingtao Zhang, Sean Parkin, Panpan Zhou, Jianzhi Wang, Faquan Yu, Sihui Long

Chemistry Faculty Publications

We report the discovery of two new forms (II and III) of a potential non-steroidal anti-inflammatory and thyroid drug, 2-((2,6-dimethylphenyl)amino)benzoic acid (HDMPA) through solution growth and thermal treatment of crystals. Form II has been discovered through crystal growth in a variety of solvents, and characterized by single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), FT-IR, and Raman spectroscopy. Form II converts into form III upon thermal treatment, as indicated by the phase behavior study of form II with differential scanning calorimetry (DSC). Form III has been characterized by IR, Raman and PXRD. Conformational flexibility of the molecule seems to lead to …

Go to article

Pharmaflights: Fragment Based Drug Discovery Based On Chalcones With A 3,4,5-Trimethoxy Substitution On Ring B., Cody Fourman Apr 2018

Pharmaflights: Fragment Based Drug Discovery Based On Chalcones With A 3,4,5-Trimethoxy Substitution On Ring B., Cody Fourman

The University Honors Program

The 3,4,5-trimethoxyphenyl motif is a common structural feature of a number of natural occurring antimitotic agents, especially those capable interacting with microtubules such as the cis-stilbene, combrestatin A-4. Chalcones possessing this pharmacophore have likewise been demonstrated to exhibit a diverse range of biological actions including anticancer, anti-invasive, antioxidant, and anti-inflammatory activities. As part of an experiential learning experience in academic drug discovery termed WSU PharmaFlights, so-called flights of 6-10 molecules based on a particular biologically relevant structural pattern on the privileged chalcone scaffold are to be designed, synthesized, and spectroscopically characterized as a starting point for lead-development with potential biological …

Go to article

First Prev Next Last