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Chemistry Faculty Publications

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Articles 361 - 390 of 1129

Full-Text Articles in Chemistry

Ion Clustering In Aqueous Salt Solutions Near The Liquid/Vapor Interface, Smith J. D., Steven W. Rick Mar 2016

Ion Clustering In Aqueous Salt Solutions Near The Liquid/Vapor Interface, Smith J. D., Steven W. Rick

Chemistry Faculty Publications

Molecular dynamics simulations of aqueous NaCl, KCl, NaI, and KI solutions are used to study the effects of salts on the properties of the liquid/vapor interface. The simulations use the models which include both charge transfer and polarization effects. Pairing and the formation of larger ion clusters occurs both in the bulk and surface region, with a decreased tendency to form larger clusters near the interface. An analysis of the roughness of the surface reveals that the chloride salts, which have less tendency to be near the surface, have a roughness that is less than pure water, while the iodide …


Reducing Dynamic Disorder In Small-Molecule Organic Semiconductors By Suppressing Large-Amplitude Thermal Motions, Steffen Illig, Alexander S. Eggeman, Alessandro Troisi, Lang Jiang, Chris Warwick, Mark Nikolka, Guillaume Schweicher, Stephen G. Yeates, Yves Henri Geerts, John E. Anthony, Henning Sirringhaus Feb 2016

Reducing Dynamic Disorder In Small-Molecule Organic Semiconductors By Suppressing Large-Amplitude Thermal Motions, Steffen Illig, Alexander S. Eggeman, Alessandro Troisi, Lang Jiang, Chris Warwick, Mark Nikolka, Guillaume Schweicher, Stephen G. Yeates, Yves Henri Geerts, John E. Anthony, Henning Sirringhaus

Chemistry Faculty Publications

Thermal vibrations and the dynamic disorder they create can detrimentally affect the transport properties of van der Waals bonded molecular semiconductors. The low-energy nature of these vibrations makes it difficult to access them experimentally, which is why we still lack clear molecular design rules to control and reduce dynamic disorder. In this study we discuss the promising organic semiconductors rubrene, 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothio-phene and 2,9-di-decyl-dinaphtho-[2,3-b:20,30-f]-thieno-[3,2-b]-thiophene in terms of an exceptionally low degree of dynamic disorder. In particular, we analyse diffuse scattering in transmission electron microscopy, to show that small molecules that have their side chains attached along the long axis of their …


Dissolved Organic Carbon From The Upper Rio Negro Protects Zebrafish (Danio Rerio) Against Ionoregulatory Disturbances Caused By Low Ph Exposure, Rafael M. Duarte, D. Scott Smith, Adalberto L. Val, Chris M. Wood Feb 2016

Dissolved Organic Carbon From The Upper Rio Negro Protects Zebrafish (Danio Rerio) Against Ionoregulatory Disturbances Caused By Low Ph Exposure, Rafael M. Duarte, D. Scott Smith, Adalberto L. Val, Chris M. Wood

Chemistry Faculty Publications

The so-called “blackwaters” of the Amazonian Rio Negro are rich in highly coloured dissolved organic carbon (DOC), but ion-poor and very acidic, conditions that would cause fatal ionoregulatory failure in most fish. However these blackwaters support 8% of the world’s ichthyofauna. We tested the hypothesis that native DOC provides protection against ionoregulatory dysfunction in this extreme environment. DOCs were isolated by reverse-osmosis from two Rio Negro sites. Physico-chemical characterization clearly indicated a terrigenous origin, with a high proportion of hydroxyl and phenolic sites, high chemical reactivity to protons, and unusual proteinaceous fluorescence. When tested using zebrafish (a model organism), Rio …


New Urjc-1 Material With Remarkable Stability And Acid-Base Catalytic Properties, Pedro Leo, Ferdnando Martinez, Guillermo Calleja, David Briones, Lukasz Wojtas Feb 2016

New Urjc-1 Material With Remarkable Stability And Acid-Base Catalytic Properties, Pedro Leo, Ferdnando Martinez, Guillermo Calleja, David Briones, Lukasz Wojtas

Chemistry Faculty Publications

Emerging new metal-organic structures with tunable physicochemical properties is an exciting research field for diverse applications. In this work, a novel metal-organic framework Cu(HIT)(DMF)0.5, named URJC-1, with a three-dimensional non-interpenetrated utp topological network, has been synthesized. This material exhibits a microporous structure with unsaturated copper centers and imidazole–tetrazole linkages that provide accessible Lewis acid/base sites. These features make URJC-1 an exceptional candidate for catalytic application in acid and base reactions of interest in fine chemistry. The URJC-1 material also displays a noteworthy thermal and chemical stability in different organic solvents of different polarity and boiling water. Its catalytic …


Strain Effects On The Work Function Of An Organic Semiconductor, Yanfei Wu, Annabel R. Chew, Geoffrey A. Rojas, Gjergji Sini, Greg Haugstad, Alex Belianinov, Sergei V. Kalinin, Hong Li, Chad Risko, Jean-Luc Brédas, Alberto Salleo, C. Daniel Frisbie Feb 2016

Strain Effects On The Work Function Of An Organic Semiconductor, Yanfei Wu, Annabel R. Chew, Geoffrey A. Rojas, Gjergji Sini, Greg Haugstad, Alex Belianinov, Sergei V. Kalinin, Hong Li, Chad Risko, Jean-Luc Brédas, Alberto Salleo, C. Daniel Frisbie

Chemistry Faculty Publications

Establishing fundamental relationships between strain and work function (WF) in organic semiconductors is important not only for understanding electrical properties of organic thin films, which are subject to both intrinsic and extrinsic strains, but also for developing flexible electronic devices. Here we investigate tensile and compressive strain effects on the WF of rubrene single crystals. Mechanical strain induced by thermal expansion mismatch between the substrate and rubrene is quantified by X-ray diffraction. The corresponding WF change is measured by scanning Kelvin probe microscopy. The WF of rubrene increases (decreases) significantly with in-plane tensile (compressive) strain, which agrees qualitatively with density …


The Dual Regulatory Role Of Amino Acids Leu480 And Gln481 Of Prothrombin, Joesph R. Wiencek, Jamila Hirbawi, Vivien C. Yee, Michael Kalafatis Jan 2016

The Dual Regulatory Role Of Amino Acids Leu480 And Gln481 Of Prothrombin, Joesph R. Wiencek, Jamila Hirbawi, Vivien C. Yee, Michael Kalafatis

Chemistry Faculty Publications

Prothrombin (FII) is activated to α-thrombin (IIa) by prothrombinase. Prothrombinase is composed of a catalytic subunit, factor Xa (fXa), and a regulatory subunit, factor Va (fVa), assembled on a membrane surface in the presence of divalent metal ions. We constructed, expressed, and purified several mutated recombinant FII (rFII) molecules within the previously determined fVa-dependent binding site for fXa (amino acid region 473–487 of FII). rFII molecules bearing overlapping deletions within this significant region first established the minimal stretch of amino acids required for the fVa-dependent recognition exosite for fXa in prothrombinase within the amino acid sequence Ser478–Val479 …


Identification Of Critical Paraoxonase 1 Residues Involved In High Density Lipoprotein Interaction, Xiaodong Gu, Ying Huang, Bruce S. Levison, Gary Gerstenecker, Anthony J. Didonato, Leah B. Hazen, Joonsue Lee, Valentin Gogonea, Joseph A. Didonato, Stanley L. Hazen Jan 2016

Identification Of Critical Paraoxonase 1 Residues Involved In High Density Lipoprotein Interaction, Xiaodong Gu, Ying Huang, Bruce S. Levison, Gary Gerstenecker, Anthony J. Didonato, Leah B. Hazen, Joonsue Lee, Valentin Gogonea, Joseph A. Didonato, Stanley L. Hazen

Chemistry Faculty Publications

Paraoxonase 1 (PON1) is a high density lipoprotein (HDL)-associated protein with atherosclerosis-protective and systemic anti-oxidant functions. We recently showed that PON1, myeloperoxidase, and HDL bind to one another in vivo forming a functional ternary complex (Huang, Y., Wu, Z., Riwanto, M., Gao, S., Levison, B. S., Gu, X., Fu, X., Wagner, M. A., Besler, C., Gerstenecker, G., Zhang, R., Li, X. M., Didonato, A. J., Gogonea, V., Tang, W. H., et al. (2013) J. Clin. Invest. 123, 3815–3828). However, specific residues on PON1 involved in the HDL-PON1 interaction remain unclear. Unambiguous identification of protein residues involved in docking interactions to …


Hyperfine Rather Than Spin Splittings Dominate The Fine Structure Of The B 4Σ-X 4Σ- Bands Of Aic, Dennis J. Clouthier, Aimable Kalume Jan 2016

Hyperfine Rather Than Spin Splittings Dominate The Fine Structure Of The B 4Σ-–X 4Σ- Bands Of Aic, Dennis J. Clouthier, Aimable Kalume

Chemistry Faculty Publications

Laser-induced fluorescence and wavelength resolved emission spectra of the B 4ΣX4Σ band system of the gas phase cold aluminum carbide free radical have been obtained using the pulsed discharge jet technique. The radical was produced by electron bombardment of a precursor mixture of trimethylaluminum in high pressure argon. High resolution spectra show that each rotational line of the 0-0 and 1-1 bands of AlC is split into at least three components, with very similar splittings and intensities in both the P- and R-branches. The observed structure was reproduced by assuming b …


Orally Active And Selective Tubulin Inhibitors As Anti-Trypanosome Agents, Vishal Nanavaty, Rati Lama, Ranjodh Sandhu, Bo Zhong, Daniel Kulman, Viharika Bobba, Anran Zhao, Bibo Li, Bin Su Jan 2016

Orally Active And Selective Tubulin Inhibitors As Anti-Trypanosome Agents, Vishal Nanavaty, Rati Lama, Ranjodh Sandhu, Bo Zhong, Daniel Kulman, Viharika Bobba, Anran Zhao, Bibo Li, Bin Su

Chemistry Faculty Publications

Objectives: There is an urgent need to develop a safe, effective, orally active, and inexpensive therapy for African trypanosomiasis due to the drawbacks of current drugs. Selective tubulin inhibitors have the potential to be promising drug candidates for the treatment of this disease, which is based on the tubulin protein structural difference between mammalian and trypanosome cells. We propose to identify novel tubulin inhibitors from a compound library developed based on the lead compounds that selectively target trypanosomiasis. Methods: We used Trypanosoma brucei brucei as the parasite model, and human normal kidney cells and mouse microphage cells as the host …


Structural Insights Into High Density Lipoprotein: Old Models And New Facts, Valentin Gogonea Jan 2016

Structural Insights Into High Density Lipoprotein: Old Models And New Facts, Valentin Gogonea

Chemistry Faculty Publications

The physiological link between circulating high density lipoprotein (HDL) levels and cardiovascular disease is well-documented, albeit its intricacies are not well-understood. An improved appreciation of HDL function and overall role in vascular health and disease requires at its foundation a better understanding of the lipoprotein's molecular structure, its formation, and its process of maturation through interactions with various plasma enzymes and cell receptors that intervene along the pathway of reverse cholesterol transport. This review focuses on summarizing recent developments in the field of lipid free apoA-I and HDL structure, with emphasis on new insights revealed by newly published nascent and …


Glen Helen And Little Miami River Water Quality Fall 2015, Steven J. Ujvary, Sarah Izor, Lin Phu, Lauren Bruce, Justin Myers, Jessica Clemmons, Amy Mcneely, Ashlynn Boedecker, Ritu Ghose, Jessica Mckinley, Audrey E. Mcgowin Jan 2016

Glen Helen And Little Miami River Water Quality Fall 2015, Steven J. Ujvary, Sarah Izor, Lin Phu, Lauren Bruce, Justin Myers, Jessica Clemmons, Amy Mcneely, Ashlynn Boedecker, Ritu Ghose, Jessica Mckinley, Audrey E. Mcgowin

Chemistry Faculty Publications

Service Learning Intensive (SVI) - a teaching and learning pedagogy that engages faculty, students, and community members in a partnership to achieve academic learning objectives, meet community needs, promote civic responsibility, and reflect on the learning experience.

More specifically, the objectives for this course are for students to:

  • Apply environmental chemistry concepts learned in the classroom to the interpretation environmental analysis results
  • Use Good Laboratory Practice (GLP) through the use of Standard Operating Procedures (SOPs) and EPA methods for the analysis of metals, anions, dissolved oxygen, pH, temperature, conductivity, ammonia, and turbidity
  • Follow up on previous years’ results showing elevated …


Final Report: Storm Water Pollutant Inputs To The Little Miami River Via Yellow Springs And Birch Creeks, Audrey E. Mcgowin Jan 2016

Final Report: Storm Water Pollutant Inputs To The Little Miami River Via Yellow Springs And Birch Creeks, Audrey E. Mcgowin

Chemistry Faculty Publications

This report describes the results of research performed with funds from the Sture Fredrik Anliot Grant Fund granted in March 2015. The primary aim of the project was to identify and measure various stormwater pollutant inputs to Yellow Springs Creek and Birch Creek into Glen Helen Nature Preserve and then into the Little Miami River in Greene County, Ohio from Spring 2015 to Winter 2016.

In order to better understand pollutant flow into Glen Helen and subsequently into the Little Miami River, three different types of samples were taken. One type of sample was a “grab” sample taken under normal …


Properties And Drug-Likeness Of Compounds That Inhibit Ebola Virus Disease (Evd), Ronald Bartzatt Jan 2016

Properties And Drug-Likeness Of Compounds That Inhibit Ebola Virus Disease (Evd), Ronald Bartzatt

Chemistry Faculty Publications

Aims: To present the molecular structures of compounds that has been shown to inhibit the proliferation of Ebola virus. To elucidate the molecular properties of these virus inhibiting compounds.

Study Design: The molecular properties of virus inhibiting compounds are elucidated and compiled. Pattern recognition methods and statistical analysis are applied to determine optimal properties of this group of compounds.

Place and Duration of Study: Chemistry Department, Durham Science Center, University of Nebraska, Omaha NE. between December 2015 and February 2016.

Methodology: A total of 60 compounds were identified as inhibiting the virus Ebola. The molecular properties such as Log P, …


Nucleophile Promoted Gold Redox Catalysis With Diazonium Salts: C-Br, C-S And C-P Bond Formation Through Catalytic Sandmeyer Coupling, Haihui Peng, Rong Cai, Chang Xu, Hao Chen, Xiaodong Shi Jan 2016

Nucleophile Promoted Gold Redox Catalysis With Diazonium Salts: C-Br, C-S And C-P Bond Formation Through Catalytic Sandmeyer Coupling, Haihui Peng, Rong Cai, Chang Xu, Hao Chen, Xiaodong Shi

Chemistry Faculty Publications

Gold-catalyzed C-heteroatom (C-X) coupling reactions are evaluated without using sacrificial oxidants. Vital to the success of this methodology is the nucleophile-assisted activation of aryldiazonium salts, which could be an effective oxidant for converting Au(i) to Au(iii) even without the addition of an assisting ligand or photocatalyst. By accelerating the reaction kinetics to outcompete C-C homo-coupling or diazonium dediazoniation, gold-catalyzed Sandmeyer reactions were achieved with different nucleophiles, forming C-Br, C-S and C-P bonds in high yields and selectivities.


Targeting Radioresistant Breast Cancer Cells By Single Agent Chk1 Inhibitor Via Enhancing Replication Stress, Yao Zhang, Jinzhi Lai, Zhanwen Du, Jinnan Gao, Shuming Yang, Shashank Gorityala, Xiahui Xiong, Ou Deng, Zhefu Ma, Chunhong Yan, Gonzalo Susana, Yan Xu, Junran Zhang Jan 2016

Targeting Radioresistant Breast Cancer Cells By Single Agent Chk1 Inhibitor Via Enhancing Replication Stress, Yao Zhang, Jinzhi Lai, Zhanwen Du, Jinnan Gao, Shuming Yang, Shashank Gorityala, Xiahui Xiong, Ou Deng, Zhefu Ma, Chunhong Yan, Gonzalo Susana, Yan Xu, Junran Zhang

Chemistry Faculty Publications

Radiotherapy (RT) remains a standard therapeutic modality for breast cancer patients. However, intrinsic or acquired resistance limits the efficacy of RT. Here, we demonstrate that CHK1 inhibitor AZD7762 alone significantly inhibited the growth of radioresistant breast cancer cells (RBCC). Given the critical role of ATR/CHK1 signaling in suppressing oncogene-induced replication stress (RS), we hypothesize that CHK1 inhibition leads to the specific killing for RBCC due to its abrogation in the suppression of RS induced by oncogenes. In agreement, the expression of oncogenes c-Myc/CDC25A/c-Src/H-ras/E2F1 and DNA damage response (DDR) proteins ATR/CHK1/BRCA1/CtIP were elevated in RBCC. AZD7762 exposure led to significantly higher …


Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick Jan 2016

Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick

Chemistry Faculty Publications

The title p-hy-droxy Schiff base, C17H17NO4, was synthesized via the condensation reaction of benzocaine with vanillin. The benzyl-idine and benzoate rings are inclined to one another by 24.58 (8)°, and the conformation about the C=N bond is E. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. Adjacent chains are linked by C-H⋯π and weak offset π-π inter-actions [inter-centroid distance = 3.819 (1) Å], forming sheets parallel to (10-2).


Inactivation Of Peptidylglycine Α-Hydroxylating Monooxygenase By Cinnamic Acid Analogs, Neil R. Mcintyre, Edward W. Lowe Jr, Matthew R. Battistini, James W. Leahy, David J. Merkler Jan 2016

Inactivation Of Peptidylglycine Α-Hydroxylating Monooxygenase By Cinnamic Acid Analogs, Neil R. Mcintyre, Edward W. Lowe Jr, Matthew R. Battistini, James W. Leahy, David J. Merkler

Chemistry Faculty Publications

Peptidylglycine α-amidating monooxygenase (PAM) is a bifunctional enzyme that catalyzes the final reaction in the maturation of α-amidated peptide hormones. Peptidylglycine α-hydroxylating monooxygenase (PHM) is the PAM domain responsible for the copper-, ascorbate- and O2-dependent hydroxylation of a glycine-extended peptide. Peptidylamidoglycolate lyase is the PAM domain responsible for the Zn(II)-dependent dealkylation of the α-hydroxyglycine-containing precursor to the final α-amidated peptide. We report herein that cinnamic acid and cinnamic acid analogs are inhibitors or inactivators of PHM. The inactivation chemistry exhibited by the cinnamates exhibits all the attributes of a suicide-substrate. However, we find no evidence for the formation …


Crystal Engineering Of A Family Of Hybrid Ultramicroporous Materials Based Upon Interpenetration And Dichromate Linkers, Hayley S. Scott, Naoki Ogiwara, Kai-Jie Chen, David G. Madden, Tony Pham, Katherine Forrest, Brian Space, Satoshi Horike, John J. Perry Iv, Susumu Kitagawa, Michael J. Zaworotko Jan 2016

Crystal Engineering Of A Family Of Hybrid Ultramicroporous Materials Based Upon Interpenetration And Dichromate Linkers, Hayley S. Scott, Naoki Ogiwara, Kai-Jie Chen, David G. Madden, Tony Pham, Katherine Forrest, Brian Space, Satoshi Horike, John J. Perry Iv, Susumu Kitagawa, Michael J. Zaworotko

Chemistry Faculty Publications

A new family of 2-fold interpenetrated primitive cubic (pcu) networks of formula [M(L)2(Cr2O7)]n (M = Co2+, Ni2+, Cu2+ and Zn2+; L = 4,4′-azopyridine), DICRO-3-M-i, has been synthesised and their structures, permanent porosity and gas sorption properties were comprehensively characterised. Molecular simulations indicate that CO2 molecules occupy both of the two distinct ultramicropores that run through this isostructural series. The orientation of the Cr2O72− pillars is thought to contribute to high isosteric enthalpy of adsorption (Qst) …


It Is All About (U)Biquitin: Role Of Altered Ubiquitin-Proteasome System And Uchl1 In Alzheimer Disease, Antonella Tramutola, Fabio Di Domenico, Eugenio Barone, Marzia Perluigi, D. Allan Butterfield Jan 2016

It Is All About (U)Biquitin: Role Of Altered Ubiquitin-Proteasome System And Uchl1 In Alzheimer Disease, Antonella Tramutola, Fabio Di Domenico, Eugenio Barone, Marzia Perluigi, D. Allan Butterfield

Chemistry Faculty Publications

Free radical-mediated damage to macromolecules and the resulting oxidative modification of different cellular components are a common feature of aging, and this process becomes much more pronounced in age-associated pathologies, including Alzheimer disease (AD). In particular, proteins are particularly sensitive to oxidative stress-induced damage and these irreversible modifications lead to the alteration of protein structure and function. In order to maintain cell homeostasis, these oxidized/damaged proteins have to be removed in order to prevent their toxic accumulation. It is generally accepted that the age-related accumulation of “aberrant” proteins results from both the increased occurrence of damage and the decreased efficiency …


Content Analysis Of The Discussion Of The Atom In General Chemistry Textbooks Using Evaluation Criteria Based On The Nature Of Science And Philosophy Of Chemistry, Armando M. Guidote Jr, Angelo Julian E. Perez, Gilbert U. Yu, Michael Ner E. Mariano Jan 2016

Content Analysis Of The Discussion Of The Atom In General Chemistry Textbooks Using Evaluation Criteria Based On The Nature Of Science And Philosophy Of Chemistry, Armando M. Guidote Jr, Angelo Julian E. Perez, Gilbert U. Yu, Michael Ner E. Mariano

Chemistry Faculty Publications

Evaluation criteria are adapted from previous textbook analyses on the nature of science (NOS) in general chemistry textbooks. These criteria are used to determine how certain NOS dimensions are mentioned and elaborated in those textbooks. Such dimensions emphasize that chemistry is (1) tentative, (2) empirical, (3) model-based, (4) inferential, (5) has technological products, (6) employs instrumentation, and (7) possesses social and societal dimensions. Three book chapters were read and evaluated: the first (on chemistry in general); the second (on atomic structure); and the sixth or seventh chapters (on the electronic structure of atoms). The relevant content in each textbook were …


Tmco1 Is An Er Ca2+ Load-Activated Ca2+ Channel, Qiao-Chu Wang, Qiaoxia Zheng, Haiyan Tan, Bing Zhang, Xiaoling Li, Yuxiu Yang, Jie Yu, Yang Liu, Hao Chai, Xi Wang, Zhongshuai Sun, Jiu-Qiang Wang, Shu Zhu, Fengli Wang, Maojun Yang, Caixia Guo, Heng Wang, Qingyin Zheng, Yang Li, Quan Chen, Aimin Zhou, Tie-Shan Tang Jan 2016

Tmco1 Is An Er Ca2+ Load-Activated Ca2+ Channel, Qiao-Chu Wang, Qiaoxia Zheng, Haiyan Tan, Bing Zhang, Xiaoling Li, Yuxiu Yang, Jie Yu, Yang Liu, Hao Chai, Xi Wang, Zhongshuai Sun, Jiu-Qiang Wang, Shu Zhu, Fengli Wang, Maojun Yang, Caixia Guo, Heng Wang, Qingyin Zheng, Yang Li, Quan Chen, Aimin Zhou, Tie-Shan Tang

Chemistry Faculty Publications

Maintaining homeostasis of Ca2+stores in theendoplasmic reticulum (ER) is crucial for properCa2+signaling and key cellular functions. The Ca2+-release-activated Ca2+(CRAC) channel is respon-sible for Ca2+influx and refilling after store depletion,but how cells cope with excess Ca2+when ER storesare overloaded is unclear. We show that TMCO1 is anER transmembrane protein that actively preventsCa2+stores from overfilling, acting as what we terma ‘‘Ca2+load-activated Ca2+channel’’ or ‘‘CLAC’’channel. TMCO1 undergoes reversible homotetra-merization in response to ER Ca2+overloadingand disassembly upon Ca2+depletion and forms aCa2+-selective ion channel on giant liposomes.TMCO1 knockout mice reproduce the main clinicalfeatures of human cerebrofaciothoracic (CFT)dysplasia spectrum, a developmental disorder linkedto TMCO1 dysfunction, and …


Determination Of Mln0128, An Investigational Antineoplastic Agent, In Human Plasma By Lc–Ms/Ms, Sandeep R. Kunati, Yan Xu Jan 2016

Determination Of Mln0128, An Investigational Antineoplastic Agent, In Human Plasma By Lc–Ms/Ms, Sandeep R. Kunati, Yan Xu

Chemistry Faculty Publications

MLN0128, an mTOR kinase inhibitor, is currently undergoing clinical investigation for treatment of a variety of cancers. To support this work, an LC–MS/MS method has been developed for the determination of MLN0128 in human plasma. A structural analog STK040263 was used as the internal standard. Both MLN0128 and the IS were first extracted from plasma using methyl tert-butyl ether; then separated on a Waters XTerra® MS C18 column using a mobile phase consisting of methanol–acetonitrile–10.0 mm ammonium formate (34:6:60, v/v/v) at a flow rate of 0.300 mL min−1. Quantitation of MLN0128 was done by positive electrospray ionization tandem mass spectrometry …


Sialyltransferase Inhibition And Recent Advances, Libo Wang, Ying Liu, Lijun Wu, Xue-Long Sun Jan 2016

Sialyltransferase Inhibition And Recent Advances, Libo Wang, Ying Liu, Lijun Wu, Xue-Long Sun

Chemistry Faculty Publications

Sialic acids, existing as terminal sugars of glycoconjugates, play important roles in various physiological and pathological processes, such as cell–cell adhesion, immune defense, tumor cell metastasis, and inflammation. Sialyltransferases (STs) catalyze the transfer of sialic acid residues to non-reducing oligosaccharide chains of proteins and lipids, using cytidine monophosphate N-acetylneuraminic acid (CMP-Neu5Ac) as the donor. Elevated sialyltransferase activity leads to overexpression of cell surface sialic acids and contributes to many disease developments, such as cancer and inflammation. Therefore, sialyltransferases are considered as potential drug targets for disease treatment. Inhibitors of sialyltransferases thus are of medicinal interest, especially for the cancer …


Acridine Orange Staining Of Virus Infected Host Cells To Monitor Proliferation Of Viral Infection, Ronald Bartzatt Jan 2016

Acridine Orange Staining Of Virus Infected Host Cells To Monitor Proliferation Of Viral Infection, Ronald Bartzatt

Chemistry Faculty Publications

Acridine orange staining is a methodology for nucleic acid selective metachromatic staining that is useful for following cell cycle determination. The interaction of acridine orange with target molecules (i.e. DNA and RNA) is by intercalation or electrostatic attraction, respectively. This work presents methodology and results of a cell staining that utilizes acridine orange fluoresence. It is possible to visualize under dark field ultraviolet microscope the actual viral infected host cells. The color production is stark and easily selected. This method appears to be versatile for a number of various cell types in tissue culture, including human lymphocytes. This methodology is …


Four Compounds Suppressing Growth Of Mycobacterium Tuberculosis, Ronald Bartzatt, Preeti Sule, Woojung Kim, Jeffrey D. Cirillo Jan 2016

Four Compounds Suppressing Growth Of Mycobacterium Tuberculosis, Ronald Bartzatt, Preeti Sule, Woojung Kim, Jeffrey D. Cirillo

Chemistry Faculty Publications

Aims: To demonstrate the efficacy of several small molecular weight compounds having hydrazide groups, for inhibiting the growth of Mycobacterium tuberculosis. To show these same compounds have favorable drug-likeness properties.

Study Design: To synthesize tuberculostats and test their antibacterial activity in-vitro.

Place and Duration of Study: University of Nebraska, Durham Science Center, 6001 Dodge Street, Omaha NE 68182, and Texas A&M Health Science Center, Department of Microbial Pathogenesis and Immunology, 8447 State Hwy 47, Medical Research and Education Building, Room #3012, Bryan, TX 7780. From January 2015 to June 2015.

Methodology: Hydrazide groups were formed by covalently bonding hydrazine …


Electropolymerized Layersas Selective Membranesin First Generation Uric Acid Biosensors, Kaiwen Chen, Grace E. Conway, Gregory A. Hamilton, Matthew L. Trawick, Michael C. Leopold Jan 2016

Electropolymerized Layersas Selective Membranesin First Generation Uric Acid Biosensors, Kaiwen Chen, Grace E. Conway, Gregory A. Hamilton, Matthew L. Trawick, Michael C. Leopold

Chemistry Faculty Publications

Electropolymerized films that can serve as semi-permeable membranes and provide selectivity within a xerogel-based, 1stgeneration biosensor assembly are explored in this study. Layered biosensing schemes of this nature rely primarily upon an electropolymerized ad-layer to supplement the xerogel and provide effective selectivity for detection of a targeted analyte. While effective electropolymers have been established for glucose sensing, the adaptation of the strategy to other analytes of clinical importance hinges upon the systematic evaluation of electropolymerized films to identify a selective film. Uric acid is a key species in the diagnosis/monitoring of a number of diseases and conditions. An …


Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier Dec 2015

Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier

Chemistry Faculty Publications

The cold boroncarbide free radical (BC X  4Σ) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescencespectra have been obtained for the B  4ΣX4Σ and E  4Π–X4Σ band systems of both 11BC and 10BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then …


Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks Dec 2015

Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks

Chemistry Faculty Publications

The title compound, C19H22N2O3, {systematic name (1aR,4E,7aS,8E,10aS,10bR)-1a,5-dimethyl-8-[(pyrimidin-5-yl)­methylid­ene]-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclo­deca­[1,2-b]furan-9(1aH)-one} was obtained from the reaction of parthenolide [systematic name (1aR,7aS,10aS,10bR,E)-1a,5-dimethyl-8-methyl­ene-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclodeca­[1,2-b]furan-9(1aH)-one] with 5-bromo­pyrimidine under Heck reaction conditions, and was identified as an E isomer. The mol­ecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened …


Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian Nov 2015

Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian

Chemistry Faculty Publications

Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2V−1s−1, low threshold …


The Nicotine Metabolite, Cotinine, Alters The Assembly And Trafficking Of A Subset Of Nicotinic Acetylcholine Receptors, Ashley M. Fox, Faruk H. Moonschi, Christopher I. Richards Oct 2015

The Nicotine Metabolite, Cotinine, Alters The Assembly And Trafficking Of A Subset Of Nicotinic Acetylcholine Receptors, Ashley M. Fox, Faruk H. Moonschi, Christopher I. Richards

Chemistry Faculty Publications

Exposure to nicotine alters the trafficking and assembly of nicotinic receptors (nAChRs), leading to their up-regulation on the plasma membrane. Although the mechanism is not fully understood, nicotine-induced up-regulation is believed to contribute to nicotine addiction. The effect of cotinine, the primary metabolite of nicotine, on nAChR trafficking and assembly has not been extensively investigated. We utilize a pH-sensitive variant of GFP, super ecliptic pHluorin, to differentiate between intracellular nAChRs and those expressed on the plasma membrane to quantify changes resulting from cotinine and nicotine exposure. Similar to nicotine, exposure to cotinine increases the number of α4β2 receptors on the …