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Articles 1 - 30 of 40
Full-Text Articles in Physical Sciences and Mathematics
(Cyclopentadienone)Iron-Catalyzed Transfer Dehydrogenation Of Symmetrical And Unsymmetrical Diols To Lactones, Yidan Tang, Rowan I.L. Meador, Casina T. Malinchak, Emily E. Harrison, Kimberly A. Mccaskey, Melanie C. Hempel, Timothy W. Funk
(Cyclopentadienone)Iron-Catalyzed Transfer Dehydrogenation Of Symmetrical And Unsymmetrical Diols To Lactones, Yidan Tang, Rowan I.L. Meador, Casina T. Malinchak, Emily E. Harrison, Kimberly A. Mccaskey, Melanie C. Hempel, Timothy W. Funk
Chemistry Faculty Publications
Air-stable iron carbonyl compounds bearing cyclopentadienone ligands with varying substitution were explored as catalysts in dehydrogenative diol lactonization reactions using acetone as both the solvent and hydrogen acceptor. Two catalysts with trimethylsilyl groups in the 2- and 5-positions, [2,5-(SiMe3)2-3,4-(CH2)4(η4-C4C═O)]Fe(CO)3 (1) and [2,5-(SiMe3)2-3,4-(CH2)3(η4-C4C═O)]Fe(CO)3 (2), were found to be the most active, with 2 being the most selective in the lactonization of diols containing both primary and secondary alcohols. Lactones containing five-, six-, and seven-membered rings were successfully synthesized, and no over-oxidations to carboxylic acids were detected. The lactonization of unsymmetrical diols containing two …
Barth Syndrome: Exploring Cardiac Metabolism With Induced Pluripotent Stem Cell-Derived Cardiomyocytes, Erica M. Fatica, Gina A. Deleonibus, Alisha House, Jillian V. Kodger, Ryan W. Pearce, Rohan R. Shah, Liraz Levi, Yana Sandlers
Barth Syndrome: Exploring Cardiac Metabolism With Induced Pluripotent Stem Cell-Derived Cardiomyocytes, Erica M. Fatica, Gina A. Deleonibus, Alisha House, Jillian V. Kodger, Ryan W. Pearce, Rohan R. Shah, Liraz Levi, Yana Sandlers
Chemistry Faculty Publications
© 2019 by the authors. Licensee MDPI, Basel, Switzerland. Barth syndrome (BTHS) is an X-linked recessive multisystem disorder caused by mutations in the TAZ gene (TAZ, G 4.5, OMIM 300394) that encodes for the acyltransferase tafazzin. This protein is highly expressed in the heart and plays a significant role in cardiolipin biosynthesis. Heart disease is the major clinical manifestation of BTHS with a high incidence in early life. Although the genetic basis of BTHS and tetralinoleoyl cardiolipin deficiency in BTHS-affected individuals are well-established, downstream metabolic changes in cardiac metabolism are still uncovered. Our study aimed to characterize TAZ-induced metabolic perturbations …
Optimization Of Electrospray Ionization For Liquid Chromatography Time-Of-Flight Mass Spectrometry Analysis Of Preservatives In Wood Leachate Matrix, Kukowski Klara, Gysbers Brianna, Stephen Fisher, Alena Kubatova
Optimization Of Electrospray Ionization For Liquid Chromatography Time-Of-Flight Mass Spectrometry Analysis Of Preservatives In Wood Leachate Matrix, Kukowski Klara, Gysbers Brianna, Stephen Fisher, Alena Kubatova
Chemistry Faculty Publications
Triazoles and 3-iodo-2-propynyl butylcarbamate (IPBC) are commonly used wood preservatives active against a wide range of fungi and bacteria. As they are prone to leaching, their amounts need to be monitored by the industry to determine preservative loss from the products and for environmental impact assessment. Therefore, a liquid chromatography–electrospray–time-of-flight mass spectrometry (LC–ESI–TOFMS) method was developed and optimized for simultaneous quantification of triazoles and IPBC in aqueous wood extracts, specifically wood leachate. Analyte pre-concentration on a solid-phase extraction cartridge prior to the analysis yielded > 94% recoveries. ESI method parameters (e.g., solvent system, electrolyte type, electrolyte concentration, capillary and fragmentor voltages) …
End-Point Modification Of Recombinant Thrombomodulin With Enhanced Stability And Anticoagulant Activity, Xia Liu, Mallorie Boron, Yu Zhao, Xue-Long Sun
End-Point Modification Of Recombinant Thrombomodulin With Enhanced Stability And Anticoagulant Activity, Xia Liu, Mallorie Boron, Yu Zhao, Xue-Long Sun
Chemistry Faculty Publications
Thrombomodulin (TM) is an endothelial cell membrane protein that plays essential roles in controlling vascular haemostatic balance. The 4, 5, 6 EGF-like domain of TM (TM456) has cofactor activity for thrombin binding and subsequently protein C activation. Therefore, recombinant TM456 is a promising anticoagulant candidate but has a very short half-life. Ligation of poly (ethylene glycol) to a bioactive protein (PEGylation) is a practical choice to improve stability, extend circulating life, and reduce immunogenicity of the protein. Site-specific PEGylation is preferred as it could avoid the loss of protein activity resulting from nonspecific modification. We report herein …
Hierarchical Nanostructuring Of Porous Silicon With Electrochemical And Regenerative Electroless Etching, Ermei Mäkilä, Anne-Mari Anton Willmore, Haibo Yu, Marianna Irri, Mark Aindow, Tambet Teesalu, Leigh Trevor Canham, Kurt W. Kolasinski, Jarno Salonen
Hierarchical Nanostructuring Of Porous Silicon With Electrochemical And Regenerative Electroless Etching, Ermei Mäkilä, Anne-Mari Anton Willmore, Haibo Yu, Marianna Irri, Mark Aindow, Tambet Teesalu, Leigh Trevor Canham, Kurt W. Kolasinski, Jarno Salonen
Chemistry Faculty Publications
Hierarchically nanostructured silicon was produced by regenerative electroless etching (ReEtching) of Si powder made from pulverized anodized porous silicon. This material is characterized by ∼15 nm mesopores, into the walls of which tortuous 2–4 nm pores have been introduced. The walls are sufficiently narrow that they support quantum-confined crystallites that are photoluminescent. With suitable parameters, the ReEtching process also provides control over the emission color of the photoluminescence. Ball milling and hydrosilylation of this powder with undecylenic acid produces nanoparticles with hydrodynamic diameter of ∼220 nm that exhibit robust and bright luminescence that can be excited with either one ultraviolet/visible …
Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony
Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony
Chemistry Faculty Publications
Herein, we describe the design and synthesis of a suite of molecules based on a benzodithiophene “universal crystal engineering core”. After computationally screening derivatives, a trialkylsilylethyne-based crystal engineering strategy was employed to tailor the crystal packing for use as the active material in an organic field-effect transistor. Electronic structure calculations were undertaken to reveal derivatives that exhibit exceptional potential for high-efficiency hole transport. The promising theoretical properties are reflected in the preliminary device results, with the computationally optimized material showing simple solution processing, enhanced stability, and a maximum hole mobility of 1.6 cm2 V−1 s−1.
Increasing Expression Of Civic-Engagement Values By Students In A Service-Learning Chemistry Course, Audrey E. Mcgowin, Rebecca Teed
Increasing Expression Of Civic-Engagement Values By Students In A Service-Learning Chemistry Course, Audrey E. Mcgowin, Rebecca Teed
Chemistry Faculty Publications
A service-learning course at a midsized Midwestern research university was modified over a period of six years to integrate best-practice pedagogies that have been shown to increase civic engagement by students. Best-practice pedagogies included regular interaction with community partner(s), significant time spent on the service activity, and regular reflection (written and verbal) on the implications of the service activity. Besides water quality monitoring, students performed private well water analysis, wrote multiple formal reflection papers, and presented a public talk on the results of their project that included significant discussion time with community partners. Authentic expression of civic engagement values was …
Solution Of Simultaneous Chemical Equilibria In Heterogeneous Systems: Implementation In Matlab, D. Scott Smith
Solution Of Simultaneous Chemical Equilibria In Heterogeneous Systems: Implementation In Matlab, D. Scott Smith
Chemistry Faculty Publications
A Matlab script to solve simultaneous equilibria in solution, including precipitation/dissolution equilibria is described.
Molecular Modeling Studies On The Binding Mode Of The Pd-1/Pd-L1 Complex Inhibitors, Suliman Almahmoud, Haizhen A. Zhong
Molecular Modeling Studies On The Binding Mode Of The Pd-1/Pd-L1 Complex Inhibitors, Suliman Almahmoud, Haizhen A. Zhong
Chemistry Faculty Publications
The programmed cell death protein 1 (PD-1)/programmed cell death ligand 1 (PD-L1) is an immune checkpoint (ICP) overexpressed in various types of tumors; thus, it has been considered as an important target for cancer therapy. To determine important residues for ligand binding, we applied molecular docking studies to PD-1/PD-L1 complex inhibitors against the PD-L1 protein. Our data revealed that the residues Tyr56, Asp122, and Lys124 play critical roles in ligand binding to the PD-L1 protein and they could be used to design ligands that are active against the PD-1/PD-L1 complex. The formation of H-bonds with Arg125 of the PD-L1 protein …
Cobalt(Ii) Diphenylazodioxide Complexes Induce Apoptosis In Sk-Hep-1 Cells, Norah J. Alghamdi, Lakshmi Balaraman, Kylin A. Emhoff, Ahmed M.H. Salem, Ruhan Wei, Aimin Zhou, W. Christropher Boyd
Cobalt(Ii) Diphenylazodioxide Complexes Induce Apoptosis In Sk-Hep-1 Cells, Norah J. Alghamdi, Lakshmi Balaraman, Kylin A. Emhoff, Ahmed M.H. Salem, Ruhan Wei, Aimin Zhou, W. Christropher Boyd
Chemistry Faculty Publications
The cobalt(II) complex salts [Co(bpy)(az)2](PF6)2 and [Co(az)4](PF6), each bearing the unusual cis-N,N'-diphenylazodioxide ligand, were both screened as possible anticancer agents against SK-HEP-1 liver cancer cells. Both compounds were found to induce substantial apoptosis as an increasing function of concentration and time. Measurement of apoptosis-related proteins indicated that both the extrinsic and intrinsic pathways of apoptosis were activated. The apoptotic activity induced by these salts is not displayed either by simple cobalt(II) salts or complexes or by the free nitrosobenzene ligand. Additionally, these compounds did not induce apoptosis, as assessed by poly(adenosine …
A Graphene Oxide-Based Fluorescence Assay For Sensitive Detection Of Dna Exonuclease Enzymatic Activity, Xiao Liu, Yingfen Wu, Xu Wu, Julia Zhao
A Graphene Oxide-Based Fluorescence Assay For Sensitive Detection Of Dna Exonuclease Enzymatic Activity, Xiao Liu, Yingfen Wu, Xu Wu, Julia Zhao
Chemistry Faculty Publications
The 3′–5′ exonuclease enzyme plays a dominant role in multiple pivotal physiological activities, such as DNA replication and repair processes. In this study, we designed a sensitive graphene oxide (GO)-based probe for the detection of exonuclease enzymatic activity. In the absence of Exo III, the strong π–π interaction between the fluorophore-tagged DNA and GO causes the efficient fluorescence quenching via a fluorescence resonance energy transfer (FRET). In contrast, in the presence of Exo III, the fluorophore-tagged 3′-hydroxyl termini of the DNA probe was digested by Exo III to set the fluorophore free from adsorption when GO was introduced, causing an …
Production Of Singlet Oxygen (1O2) During The Photochemistry Of Aqueous Pyruvic Acid: The Effects Of Ph And Photon Flux Under Steady-State O2(Aq) Concentration, Alexis J. Eugene, Marcelo I. Guzman
Production Of Singlet Oxygen (1O2) During The Photochemistry Of Aqueous Pyruvic Acid: The Effects Of Ph And Photon Flux Under Steady-State O2(Aq) Concentration, Alexis J. Eugene, Marcelo I. Guzman
Chemistry Faculty Publications
The photochemistry of pyruvic acid (PA) in aqueous atmospheric particles contributes to the production of secondary organic aerosols. This work investigates the fate of ketyl and acetyl radicals produced during the photolysis (λ ≥ 305 nm) of 5-100 mM PA under steady state [O2(aq)] = 260 μM (1.0 ≤ pH ≤ 4.5) for photon fluxes between 1 and 10 suns. The radicals diffuse quickly into the water/air interface of microbubbles and react with dissolved O2 to produce singlet oxygen (1O2*). Furfuryl alcohol is used to trap and bracket the steady-state production of …
Google Funds Cold Fusion Research; Results Still Negative, David W. Ball
Google Funds Cold Fusion Research; Results Still Negative, David W. Ball
Chemistry Faculty Publications
No abstract provided.
Monitoring Tropospheric Gases With Small Unmanned Aerial Systems (Suas) During The Second Cloudmap Flight Campaign, Travis J. Schuyler, Sean C. C. Bailey, Marcelo I. Guzman
Monitoring Tropospheric Gases With Small Unmanned Aerial Systems (Suas) During The Second Cloudmap Flight Campaign, Travis J. Schuyler, Sean C. C. Bailey, Marcelo I. Guzman
Chemistry Faculty Publications
Small unmanned aerial systems (sUAS) are a promising technology for atmospheric monitoring of trace atmospheric gases. While sUAS can be navigated to provide information with higher spatiotemporal resolution than tethered balloons, they can also bridge the gap between the regions of the atmospheric boundary layer (ABL) sampled by ground stations and manned aircraft. Additionally, sUAS can be effectively employed in the petroleum industry, e.g., to constrain leaking regions of hydrocarbons from long gasoducts. Herein, sUAS are demonstrated to be a valuable technology for studying the concentration of important trace tropospheric gases in the ABL. The successful detection and quantification of …
Assay Of Vitamin B6 (Pyridoxine Hydrochloride) Utilizing Isocratic Reversed Phase High Performance Liquid Chromatography, Ronald Bartzatt, Purnima Gajmer, Mai Han Cassandra Nguyen, Alexndra My-Hanh Tran
Assay Of Vitamin B6 (Pyridoxine Hydrochloride) Utilizing Isocratic Reversed Phase High Performance Liquid Chromatography, Ronald Bartzatt, Purnima Gajmer, Mai Han Cassandra Nguyen, Alexndra My-Hanh Tran
Chemistry Faculty Publications
Aims: To demonstrate an analysis for vitamin B6 from commercial aqueous nutritional drinks and solid tablets, utilizing isocratic conditions with high performance liquid chromatography (HPLC) and UV detection at 290 nm. Study Design: Vitamin B6 in the form of pyridoxine hydrochloride is assayed by HPLC from various samples. Place and Duration of Study: Department of Chemistry, Durham Science Center, University of Nebraska, Omaha Nebraska from May to August 2016. Methodology: Utilizing a reversed-phase C-18 column with eluent solvent (19% ethanol, 77% water, 4% acetic acid), the samples were prepared in sample solvent (19% ethanol, 81% distilled water). Detection of vitamin …
Conformational Studies Of Glucose Transporter 1 (Glut1) As An Anticancer Drug Target, Suliman Almahmoud, Xiaofang Wang, Jonathan L. Vennerstrom, Haizhen A. Zhong
Conformational Studies Of Glucose Transporter 1 (Glut1) As An Anticancer Drug Target, Suliman Almahmoud, Xiaofang Wang, Jonathan L. Vennerstrom, Haizhen A. Zhong
Chemistry Faculty Publications
Glucose transporter 1 (GLUT1) is a facilitative glucose transporter overexpressed in various types of tumors; thus, it has been considered as an important target for cancer therapy. GLUT1 works through conformational switching from an outward-open (OOP) to an inward-open (IOP) conformation passing through an occluded conformation. It is critical to determine which conformation is preferred by bound ligands because the success of structure-based drug design depends on the appropriate starting conformation of the target protein. To find out the most favorable GLUT 1 conformation for ligand binding, we ran systemic molecular docking studies for different conformations of GLUT1 using known …
Adaptable Xerogel-Layered Amperometric Biosensor Platforms On Wire Electrodes For Clinically Relevant Measurements, Lillian B. Hughes, Najwa Labban, Grace E. Conway, Julie A. Pollock, Michael C. Leopold
Adaptable Xerogel-Layered Amperometric Biosensor Platforms On Wire Electrodes For Clinically Relevant Measurements, Lillian B. Hughes, Najwa Labban, Grace E. Conway, Julie A. Pollock, Michael C. Leopold
Chemistry Faculty Publications
Biosensing strategies that employ readily adaptable materials for different analytes, can be miniaturized into needle electrode form, and function in bodily fluids represent a significant step toward the development of clinically relevant in vitro and in vivo sensors. In this work, a general scheme for 1st generation amperometric biosensors involving layer-by-layer electrode modification with enzyme-doped xerogels, electrochemically-deposited polymer, and polyurethane semi-permeable membranes is shown to achieve these goals. With minor modifications to these materials, sensors representing potential point-of-care medical tools are demonstrated to be sensitive and selective for a number of conditions. The potential for bedside measurements or continuous monitoring …
Crystal Structure Of Zymonic Acid And A Redetermination Of Its Precursor, Pyruvic Acid, Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman
Crystal Structure Of Zymonic Acid And A Redetermination Of Its Precursor, Pyruvic Acid, Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman
Chemistry Faculty Publications
The structure of zymonic acid (systematic name: 4-hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid), C6H6O5, which had previously eluded crystallographic determination, is presented here for the first time. It forms by intramolecular condensation of parapyruvic acid, which is the product of aldol condensation of pyruvic acid. A redetermination of the crystal structure of pyruvic acid (systematic name: 2-oxopropanoic acid), C3H4O3, at low temperature (90 K) and with increased precision, is also presented [for the previous structure, see: Harata et al. (1977). Acta Cryst. B33, 210–212]. In zymonic acid, the hydroxylactone ring …
Natural Kinds And Ceteris Paratis Generalizations: In Praise Of Hunches, W. Christropher Boyd, Richard N. Boyd
Natural Kinds And Ceteris Paratis Generalizations: In Praise Of Hunches, W. Christropher Boyd, Richard N. Boyd
Chemistry Faculty Publications
According to stereotypical logical empiricist conceptions, scientific findings are approximately true (or perhaps true ceteris paribus) law-like generalizations used to predict natural phenomena. They are deployed using topic-neutral, generally reliable inferential principles like deductive or statistical inferences. Natural kinds are the kinds in such generalizations. Chemical examples show that such conceptions are seriously incomplete. Some important chemical generalizations are true often enough, even though not usually true, and they are applied using esoteric topic- and discipline-specific inference rules. Their important methodological role is to underwrite often-enough reliable, often socially implemented, scientifically informed guessing about chemical phenomena. Some chemical natural …
Triperyleno[3,3,3]Propellane Triimides: Achieving A New Generation Of Quasi-D3h Symmetric Nanostructures In Organic Electronics, Lingling Lv, Josiah Roberts, Chengyi Xiao, Zhenmei Jia, Wei Jiang, Chad Risko, Lei Zhang
Triperyleno[3,3,3]Propellane Triimides: Achieving A New Generation Of Quasi-D3h Symmetric Nanostructures In Organic Electronics, Lingling Lv, Josiah Roberts, Chengyi Xiao, Zhenmei Jia, Wei Jiang, Chad Risko, Lei Zhang
Chemistry Faculty Publications
Rigid three-dimensional (3D) polycyclic aromatic hydrocarbons (PAHs), in particular 3D nanographenes, have garnered interest due to their potential use in semiconductor applications and as models to study through-bond and through-space electronic interactions. Herein we report the development of a novel 3D-symmetric rylene imide building block, triperyleno[3,3,3]propellane triimides (6), that possesses three perylene monoimide subunits fused on a propellane. This building block shows several promising characteristics, including high solubility, large π-surfaces, electron-accepting capabilities, and a variety of reactive sites. Further, the building block is compatible with different reactions to readily yield quasi-D3h symmetric nanostructures (9, …
Intercomparison Of Small Unmanned Aircraft System (Suas) Measurements For Atmospheric Science During The Lapse-Rate Campaign, Lindsay Barbieri, Stephan T. Kral, Sean C. C. Bailey, Amy E. Frazier, Jamey D. Jacob, Joachim Reuder, David Brus, Phillip B. Chilson, Christopher Crick, Carrick Detweiler, Abhiram Doddi, Jack Elston, Hosein Foroutan, Javier González-Rocha, Brian R. Greene, Marcelo I. Guzman, Adam L. Houston, Ashraful Islam, Osku Kemppinen, Dale Lawrence, Elizabeth A. Pillar-Little, Shane D. Ross, Michael P. Sama, David G. Schmale Iii, Travis J. Schuyler, Ajay Shankar, Suzanne W. Smith, Sean Waugh, Cory Dixon, Steve Borenstein, Gijs De Boer
Intercomparison Of Small Unmanned Aircraft System (Suas) Measurements For Atmospheric Science During The Lapse-Rate Campaign, Lindsay Barbieri, Stephan T. Kral, Sean C. C. Bailey, Amy E. Frazier, Jamey D. Jacob, Joachim Reuder, David Brus, Phillip B. Chilson, Christopher Crick, Carrick Detweiler, Abhiram Doddi, Jack Elston, Hosein Foroutan, Javier González-Rocha, Brian R. Greene, Marcelo I. Guzman, Adam L. Houston, Ashraful Islam, Osku Kemppinen, Dale Lawrence, Elizabeth A. Pillar-Little, Shane D. Ross, Michael P. Sama, David G. Schmale Iii, Travis J. Schuyler, Ajay Shankar, Suzanne W. Smith, Sean Waugh, Cory Dixon, Steve Borenstein, Gijs De Boer
Chemistry Faculty Publications
Small unmanned aircraft systems (sUAS) are rapidly transforming atmospheric research. With the advancement of the development and application of these systems, improving knowledge of best practices for accurate measurement is critical for achieving scientific goals. We present results from an intercomparison of atmospheric measurement data from the Lower Atmospheric Process Studies at Elevation—a Remotely piloted Aircraft Team Experiment (LAPSE-RATE) field campaign. We evaluate a total of 38 individual sUAS with 23 unique sensor and platform configurations using a meteorological tower for reference measurements. We assess precision, bias, and time response of sUAS measurements of temperature, humidity, pressure, wind speed, and …
Red-Shifting Mutation Of Light-Driven Sodium-Pump Rhodopsin, Keiichi Inoue, María Del Carmen Marín, Sahoko Tomida, Ryoko Nakamura, Yuta Nakajima, Massimo Olivucci, Hideki Kandori
Red-Shifting Mutation Of Light-Driven Sodium-Pump Rhodopsin, Keiichi Inoue, María Del Carmen Marín, Sahoko Tomida, Ryoko Nakamura, Yuta Nakajima, Massimo Olivucci, Hideki Kandori
Chemistry Faculty Publications
Microbial rhodopsins are photoreceptive membrane proteins that transport various ions using light energy. While they are widely used in optogenetics to optically control neuronal activity, rhodopsins that function with longer-wavelength light are highly demanded because of their low phototoxicity and high tissue penetration. Here, we achieve a 40-nm red-shift in the absorption wavelength of a sodium-pump rhodopsin (KR2) by altering dipole moment of residues around the retinal chromophore (KR2 P219T/S254A) without impairing its ion-transport activity. Structural differences in the chromophore of the red-shifted protein from that of the wildtype are observed by Fourier transform infrared spectroscopy. QM/MM models generated with …
Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman
Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman
Chemistry Faculty Publications
The use of small unmanned aerial systems (sUAS) for meteorological measurements has expanded significantly in recent years. SUAS are efficient platforms for collecting data with high resolution in both space and time, providing opportunities for enhanced atmospheric sampling. Furthermore, advances in mesoscale weather research and forecasting (WRF) modeling and graphical processing unit (GPU) computing have enabled high resolution weather modeling. In this manuscript, a balloon-launched unmanned glider, complete with a suite of sensors to measure atmospheric temperature, pressure, and relative humidity, is deployed for validation of real-time weather models. This work demonstrates the usefulness of sUAS for validating and improving …
A Non-Natural Nucleotide Uses A Specific Pocket To Selectively Inhibit Telomerase Activity, Wilnelly Hernandez-Sanchez, Wei Huang, Brian Plucinsky, Nelson Garcia-Vazquez, Nathaniel J. Robinson, William P. Schiemann, Anthony J. Berdis, Emmanuel Skordalakes, Derek J. Taylor
A Non-Natural Nucleotide Uses A Specific Pocket To Selectively Inhibit Telomerase Activity, Wilnelly Hernandez-Sanchez, Wei Huang, Brian Plucinsky, Nelson Garcia-Vazquez, Nathaniel J. Robinson, William P. Schiemann, Anthony J. Berdis, Emmanuel Skordalakes, Derek J. Taylor
Chemistry Faculty Publications
Telomerase, a unique reverse transcriptase that specifically extends the ends of linear chromosomes, is up-regulated in the vast majority of cancer cells. Here, we show that an indole nucleotide analog, 5-methylcarboxyl-indolyl-2′-deoxyriboside 5′-triphosphate (5-MeCITP), functions as an inhibitor of telomerase activity. The crystal structure of 5-MeCITP bound to the Tribolium castaneum telomerase reverse transcriptase reveals an atypical interaction, in which the nucleobase is flipped in the active site. In this orientation, the methoxy group of 5-MeCITP extends out of the canonical active site to interact with a telomerase-specific hydrophobic pocket formed by motifs 1 and 2 in the fingers domain and …
A Quantitative Lc-Ms/Ms Method For Determination Of A Small Molecule Agonist Of Epha2 In Mouse Plasma And Brain Tissue, Bo Zhong, Yaxin Li, Nethrie Idippily, Aaron Petty, Bin Su Ph.D., Bingcheng Wang
A Quantitative Lc-Ms/Ms Method For Determination Of A Small Molecule Agonist Of Epha2 In Mouse Plasma And Brain Tissue, Bo Zhong, Yaxin Li, Nethrie Idippily, Aaron Petty, Bin Su Ph.D., Bingcheng Wang
Chemistry Faculty Publications
Compound 27 {1, 12‐bis[4‐(4‐amino‐6,7‐dimethoxyquinazolin‐2‐yl)piperazin‐1‐yl]dodecane‐1,12‐dione} is a novel small molecule agonist of EphA2 receptor tyrosine kinase. It showed much improved activity for the activation of EphA2 receptor compared with the parental compound doxazosin. To support further pharmacological and toxicological studies of the compound, a method using liquid chromatography and electrospray ionization tandem mass spectrometry (LC–MS/MS) has been developed for the quantification of this compound. Liquid–liquid extraction was used to extract the compound from mouse plasma and brain tissue homogenate. Reverse‐phase chromatography with gradient elution was performed to separate compound 27 from the endogenous molecules in the matrix, followed by …
The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman
The Effects Of Reactant Concentration And Air Flow Rate In The Consumption Of Dissolved O2 During The Photochemistry Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman
Chemistry Faculty Publications
The sunlight photochemistry of the organic chromophore pyruvic acid (PA) in water generates ketyl and acetyl radicals that contribute to the production and processing of atmospheric aerosols. The photochemical mechanism is highly sensitive to dissolved oxygen content, [O2(aq)], among other environmental conditions. Thus, herein we investigate the photolysis (λ ≥ 305 nm) of 10–200 mM PA at pH 1.0 in water covering the relevant range 0 ≤ [O2(aq)] ≤ 1.3 mM. The rapid consumption of dissolved oxygen by the intermediate photolytic radicals is monitored in real time with a dissolved oxygen electrode. …
Tracking Decitabine Incorporation Into Malignant Myeloid Cell Dna In Vitro And In Vivo By Lc-Ms/Ms With Enzymatic Digestion, Sujatha Chilakala, Ye Feng, Lan Li, Reda Mahfouz, Ebrahem Quteba, Yogen Saunthararajah, Yan Xu
Tracking Decitabine Incorporation Into Malignant Myeloid Cell Dna In Vitro And In Vivo By Lc-Ms/Ms With Enzymatic Digestion, Sujatha Chilakala, Ye Feng, Lan Li, Reda Mahfouz, Ebrahem Quteba, Yogen Saunthararajah, Yan Xu
Chemistry Faculty Publications
The DNA hypomethylating agents decitabine and 5-azacytidine are the only two drugs approved for treatment of all subtypes of the myeloid malignancy myelodysplastic syndromes (MDS). The key to drug activity is incorporation into target cell DNA, however, a practical method to measure this incorporation is un-available. Here, we report a sensitive and specific LC-MS/MS method to simultaneously measure decitabine incorporation and DNA hypomethylation. A stable heavy isotope of 2'-deoxycytidine was used as an internal standard and one-step multi-enzyme digestion was used to release the DNA bound drug. Enzyme-released decitabine along with other mononucleosides were separated by a reverse-phase C-18 column …
Restoration Of Aberrant Mtor Signaling By Intranasal Rapamycin Reduces Oxidative Damage: Focus On Hne-Modified Proteins In A Mouse Model Of Down Syndrome, Fabio Di Domenico, Antonella Tramutola, Eugenio Barone, Chiara Lanzillotta, Olivia Defever, Andrea Arena, Ilaria Zuliani, Cesira Foppoli, Federica Iavarone, Federica Vincenzoni, Massimo Castagnola, D. Allan Butterfield, Marzia Perluigi
Restoration Of Aberrant Mtor Signaling By Intranasal Rapamycin Reduces Oxidative Damage: Focus On Hne-Modified Proteins In A Mouse Model Of Down Syndrome, Fabio Di Domenico, Antonella Tramutola, Eugenio Barone, Chiara Lanzillotta, Olivia Defever, Andrea Arena, Ilaria Zuliani, Cesira Foppoli, Federica Iavarone, Federica Vincenzoni, Massimo Castagnola, D. Allan Butterfield, Marzia Perluigi
Chemistry Faculty Publications
Increasing evidences support the notion that the impairment of intracellular degradative machinery is responsible for the accumulation of oxidized/misfolded proteins that ultimately results in the deposition of protein aggregates. These events are key pathological aspects of “protein misfolding diseases”, including Alzheimer disease (AD). Interestingly, Down syndrome (DS) neuropathology shares many features with AD, such as the deposition of both amyloid plaques and neurofibrillary tangles. Studies from our group and others demonstrated, in DS brain, the dysfunction of both proteasome and autophagy degradative systems, coupled with increased oxidative damage. Further, we observed the aberrant increase of mTOR signaling and of its …
Micro-Raman Imaging Of Isomeric Segregation In Small-Molecule Organic Semiconductors, Chiung-Wei Huang, Xiao You, Peter J. Diemer, Anthony Joseph Petty Ii, John E. Anthony, Oana D. Jurchescu, Joanna M. Atkin
Micro-Raman Imaging Of Isomeric Segregation In Small-Molecule Organic Semiconductors, Chiung-Wei Huang, Xiao You, Peter J. Diemer, Anthony Joseph Petty Ii, John E. Anthony, Oana D. Jurchescu, Joanna M. Atkin
Chemistry Faculty Publications
Charge transport in organic semiconductors is highly sensitive to film heterogeneity and intermolecular interactions, but probing these properties on the length scales of disorder is often difficult. Here we use micro-Raman spectroscopy to assign vibrational modes of isomerically pure syn and anti 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES ADT) by comparing to density functional theory calculations. With polarization-dependent measurements, we determine the orientation of crystallites in pure isomers. In mixed-isomer samples, we observe narrow linewidths and superposition spectra, indicating coexistence of isomerically pure sub-domains on length scales smaller than the probe area. Using the ring breathing modes close to 1300 cm−1 as indicators …
Metal-Assisted Hydrolysis Reactions Involving Lipids: A Review, Dominique E. Williams, Kathryn B. Grant
Metal-Assisted Hydrolysis Reactions Involving Lipids: A Review, Dominique E. Williams, Kathryn B. Grant
Chemistry Faculty Publications
This report covers major advances in the use of metal ions and complexes to hydrolyze ester and phosphate ester lipid bonds. These metal-based Lewis acids have been investigated as catalysts to isolate fatty acids from biological sources, as probes to study phospholipid bilayer properties, as tools to examine signal transduction pathways, and as lead compounds toward the discovery of therapeutic agents. Metal ions that accelerate phosphate ester hydrolysis under mild conditions of temperature and pH may have the potential to mimic phospholipase activity in biochemical applications.