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Articles 241 - 270 of 664
Full-Text Articles in Chemistry
Antibiotic Drug Nanocarriers For Probing Of Multidrug Abc Membrane Transporter Of Bacillus Subtilis, Pavan Kumar Cherukuri, Preeyaporn Songkiatisak, Feng Ding, Jeam-Michel Jault, Xiao-Hong Nancy Xu
Antibiotic Drug Nanocarriers For Probing Of Multidrug Abc Membrane Transporter Of Bacillus Subtilis, Pavan Kumar Cherukuri, Preeyaporn Songkiatisak, Feng Ding, Jeam-Michel Jault, Xiao-Hong Nancy Xu
Chemistry & Biochemistry Faculty Publications
Multidrug membrane transporters can extrude a wide range of substrates, which cause multidrug resistance and ineffective treatment of diseases. In this study, we used three different sized antibiotic drug nanocarriers to study their size-dependent inhibitory effects against Bacillus subtilis. We functionalized 2.4 ± 0.7, 13.0 ± 3.1, and 92.6 ± 4.4 nm silver nanoparticles (Ag NPs) with a monolayer of 11-amino-1-undecanethiol and covalently linked them with antibiotics (ofloxacin, Oflx). The labeling ratios of antibiotics with NPs are 8.6 × 102, 9.4 × 103, and 6.5 × 105 Oflx molecules per NP, respectively. We designed …
Pyrocumulonimbus Stratospheric Plume Injections Measured By The Ace‐Fts, C.D. Boone, Peter F. Bernath, M. D. Fromm
Pyrocumulonimbus Stratospheric Plume Injections Measured By The Ace‐Fts, C.D. Boone, Peter F. Bernath, M. D. Fromm
Chemistry & Biochemistry Faculty Publications
The Atmospheric Chemistry Experiment (ACE) is a satellite‐based mission that probes Earth's atmosphere via solar occultation. The primary instrument on board is a high‐resolution infrared Fourier transform spectrometer (Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE‐FTS), providing altitude‐resolved volume mixing ratio measurements for numerous atmospheric constituents, including many biomass burning products. The ACE mission has observed the aftermath of three major pyrocumulonimbus events, in which extreme heat from intense fires created a pathway for directly injecting into the stratosphere plumes of gaseous and aerosol pollutants. These three events were associated with severe Australian bushfires from 2009 and 2019/2020, along with intense …
Interactive Effects Of The Co2 Enrichment And Nitrogen Supply On The Biomass Accumulation, Gas Exchange Properties, And Mineral Elements Concentrations In Cucumber Plants At Different Growth Stages, Xun Li, Jinlong Dong, Nazim S. Gruda, Wenying Chu, Zengqiang Duan
Interactive Effects Of The Co2 Enrichment And Nitrogen Supply On The Biomass Accumulation, Gas Exchange Properties, And Mineral Elements Concentrations In Cucumber Plants At Different Growth Stages, Xun Li, Jinlong Dong, Nazim S. Gruda, Wenying Chu, Zengqiang Duan
Chemistry & Biochemistry Faculty Publications
The concentration changes of mineral elements in plants at different CO2 concentrations ([CO2]) and nitrogen (N) supplies and the mechanisms which control such changes are not clear. Hydroponic trials on cucumber plants with three [CO2] (400, 625, and 1200 µmol mol−1) and five N supply levels (2, 4, 7, 14, and 21 mmol L−1) were conducted. When plants were in high N supply, the increase in total biomass by elevated [CO2] was 51.7% and 70.1% at the seedling and initial fruiting stages, respectively. An increase in net photosynthetic rate …
Molecular Nature Of Marine Particulate Organic Iron-Carrying Moieties Revealed By Electrospray Ionization Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (Esi-Fticrms), Chen Xu, Peng Lin, Luni Sun, Hongmei Chen, Wei Xing, Manoj Kamalanathan, Patrick G. Hatcher, Maureen H. Conte, Antonietta Quigg, Peter H. Santschi
Molecular Nature Of Marine Particulate Organic Iron-Carrying Moieties Revealed By Electrospray Ionization Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (Esi-Fticrms), Chen Xu, Peng Lin, Luni Sun, Hongmei Chen, Wei Xing, Manoj Kamalanathan, Patrick G. Hatcher, Maureen H. Conte, Antonietta Quigg, Peter H. Santschi
Chemistry & Biochemistry Faculty Publications
Marine sinking particulate organic matter (POM), acting as a link between surface primary production and burial of organic matter in marine sediments, undergoes a variety of physical and biochemical alterations on its way to the deep ocean, resulting in an increase in its un-characterizable proportion with diagenesis. Further, the binding ligands in POM for iron, an essential nutrient to marine life and tightly coupled with organic matter, has rarely been studied. In the current study, we employed an approach combining sequential extraction with ultrahigh resolution mass spectrometry (ESI-FTICRMS), in order to explore and unravel the chemical characteristics of organic matter …
Influences Of Hillslope Biogeochemistry On Anaerobic Soil Organic Matter Decomposition In A Tundra Watershed, Michael Philben, Neslihan Taş, Hongmei Chen, Stan D. Wullschleger, Alexander Kholodov, David E. Graham, Baohua Gu
Influences Of Hillslope Biogeochemistry On Anaerobic Soil Organic Matter Decomposition In A Tundra Watershed, Michael Philben, Neslihan Taş, Hongmei Chen, Stan D. Wullschleger, Alexander Kholodov, David E. Graham, Baohua Gu
Chemistry & Biochemistry Faculty Publications
We investigated rates and controls on greenhouse gas (CO2 and CH4) production in two contrasting water‐saturated tundra soils within a permafrost‐affected watershed near Nome, Alaska, United States. Three years of field sample analysis have shown that soil from a fen‐like area in the toeslope of the watershed had higher pH and higher porewater ion concentrations than soil collected from a bog‐like peat plateau at the top of the hillslope. The influence of these contrasting geochemical and topographic environments on CO2 and CH4 production was tested in soil microcosms by incubating both the organic‐ and mineral‐layer …
Tetrathiafulvalene: A Gate To The Mechanochemical Mechanisms Of Electron Transfer Reactions, Richard Chen, Mehmet Kerem Gokus, Silvina Pagola
Tetrathiafulvalene: A Gate To The Mechanochemical Mechanisms Of Electron Transfer Reactions, Richard Chen, Mehmet Kerem Gokus, Silvina Pagola
Chemistry & Biochemistry Faculty Publications
This report describes aspects of our previous studies of the mechanochemical synthesis of charge transfer complexes of the electron donor tetrathiafulvalene, which are relevant to the use of laboratory X-ray powder diffraction for ex situ monitoring of mechanochemical reactions toward investigating their mechanisms. In particular, the reaction of tetrathiafulvalene and chloranil was studied under neat mechanochemical conditions and liquid-assisted grinding with diethyl ether (1 μL/mg). The product in both cases is the green tetrathiafulvalene chloranil polymorph and the mechanism of the redox reaction is presumably the same. However, while the kinetic profile of the neat mechanochemical synthesis was fitted with …
Measured Optical Absorption Cross Sections Of Tio, Peter Bernath
Measured Optical Absorption Cross Sections Of Tio, Peter Bernath
Chemistry & Biochemistry Faculty Publications
A laboratory emission spectrum of TiO in the visible and near-infrared regions (476–1176 nm) has been calibrated and corrected. High-resolution experimental absorption cross sections for TiO with natural isotopic abundance are provided at a temperature of about 2300 K. These cross sections have been compared with those derived from the ExoMol line list. The experimental cross sections can be used directly as a template for cross correlation TiO detection in hot Jupiter exoplanets.
Thyroxine Binding To Type Iii Iodothyronine Deiodinase, Craig A. Bayse, Eric S. Marsan, Jenna R. Garcia, Alexis T. Tran-Thompson
Thyroxine Binding To Type Iii Iodothyronine Deiodinase, Craig A. Bayse, Eric S. Marsan, Jenna R. Garcia, Alexis T. Tran-Thompson
Chemistry & Biochemistry Faculty Publications
Iodothyronine deiodinases (Dios) are important selenoproteins that control the concentration of the active thyroid hormone (TH) triiodothyronine through regioselective deiodination. The X-ray structure of a truncated monomer of Type III Dio (Dio3), which deiodinates TH inner rings through a selenocysteine (Sec) residue, revealed a thioredoxin-fold catalytic domain supplemented with an unstructured Ω-loop. Loop dynamics are driven by interactions of the conserved Trp207 with solvent in multi-microsecond molecular dynamics simulations of the Dio3 thioredoxin(Trx)-fold domain. Hydrogen bonding interactions of Glu200 with residues conserved across the Dio family anchor the loop's N-terminus to the active site Ser-Cys-Thr-Sec sequence. A key long-lived loop …
Oxidation Of Aldehydes To Nitriles With An Oxoammonium Salt: Preparation Of Piperonylonitrile, Nathaniel D. Kaetzel, Kyle M. Lambert, Christopher B. Kelly
Oxidation Of Aldehydes To Nitriles With An Oxoammonium Salt: Preparation Of Piperonylonitrile, Nathaniel D. Kaetzel, Kyle M. Lambert, Christopher B. Kelly
Chemistry & Biochemistry Faculty Publications
No abstract provided.
Nrlmsis 2.0: A Whole-Atmosphere Empirical Model Of Temperature And Neutral Species Densities, J. T. Emmert, D. P. Drob, J. M. Picone, D. E. Siskind, M. Jones Jr., M. G. Mlynczak, Peter F. Bernath, X. Chu, E. Doornbos, B. Funke, L. P. Goncharenko, M. E. Hervig, M. J. Schwartz, P. E. Sheese, F. Vargas, B. P. Williams, T. Yuan
Nrlmsis 2.0: A Whole-Atmosphere Empirical Model Of Temperature And Neutral Species Densities, J. T. Emmert, D. P. Drob, J. M. Picone, D. E. Siskind, M. Jones Jr., M. G. Mlynczak, Peter F. Bernath, X. Chu, E. Doornbos, B. Funke, L. P. Goncharenko, M. E. Hervig, M. J. Schwartz, P. E. Sheese, F. Vargas, B. P. Williams, T. Yuan
Chemistry & Biochemistry Faculty Publications
NRLMSIS® 2.0 is an empirical atmospheric model that extends from the ground to the exobase and describes the average observed behavior of temperature, eight species densities, and mass density via a parametric analytic formulation. The model inputs are location, day of year, time of day, solar activity, and geomagnetic activity. NRLMSIS 2.0 is a major, reformulated upgrade of the previous version, NRLMSISE-00. The model now couples thermospheric species densities to the entire column, via an effective mass profile that transitions each species from the fully mixed region below ~70 km altitude to the diffusively separated region above ~200 km. Other …
Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
University Administration Publications
PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment. We then summarize the capabilities of PySCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PySCF across the domains of quantum chemistry, materials science, machine learning, and …
Observation Of Reduced Thermal Conductivity In A Metal-Organic Framework Due To The Presence Of Adsorbates, Hasan Babaei, Mallory E. Decoster, Minyoung Jeong, Zeinab M. Hassan, Timur Islamoglu, Helmut Baumgart, Alan J.H. Mcgaughey, Engelbert Redel, Omar K. Farha, Patrick E. Hopkins, Jonathan A. Malen, Christopher E. Wilmer
Observation Of Reduced Thermal Conductivity In A Metal-Organic Framework Due To The Presence Of Adsorbates, Hasan Babaei, Mallory E. Decoster, Minyoung Jeong, Zeinab M. Hassan, Timur Islamoglu, Helmut Baumgart, Alan J.H. Mcgaughey, Engelbert Redel, Omar K. Farha, Patrick E. Hopkins, Jonathan A. Malen, Christopher E. Wilmer
Electrical & Computer Engineering Faculty Publications
Whether the presence of adsorbates increases or decreases thermal conductivity in metal-organic frameworks (MOFs) has been an open question. Here we report observations of thermal transport in the metal-organic framework HKUST-1 in the presence of various liquid adsorbates: water, methanol, and ethanol. Experimental thermoreflectance measurements were performed on single crystals and thin films, and theoretical predictions were made using molecular dynamics simulations. We find that the thermal conductivity of HKUST-1 decreases by 40 – 80% depending on the adsorbate, a result that cannot be explained by effective medium approximations. Our findings demonstrate that adsorbates introduce additional phonon scattering in HKUST-1, …
Polyacrylamide In Glycerol Solutions From An Atomistic Perspective Of The Energetics, Structure, And Dynamics, Scott D. Hopkins, Gideon K. Gogovi, Eric Weisel, Robert A. Handler, Estela Blaisten-Barojas
Polyacrylamide In Glycerol Solutions From An Atomistic Perspective Of The Energetics, Structure, And Dynamics, Scott D. Hopkins, Gideon K. Gogovi, Eric Weisel, Robert A. Handler, Estela Blaisten-Barojas
VMASC Publications
All-atom molecular dynamics is used to investigate the structural, energetic, and dynamical properties of polyacrylamide (PAM) oligomers of different lengths solvated in pure glycerol, a 90:10 glycerol–water mixture, and pure water. We predict that the oligomers’ globular structure is obtained only when the modeling strategy considers the solvent as a continuous background. Meanwhile, for all-atom modeled solvents, the glycerol solutions display a strong tendency of trapping the oligomers in instantaneous elongated random coiled structures that remain locked-in over tens of nanoseconds. In pure water, the oligomers acquire considerably shorter random coiled structures of increased flexibility. The all-atom force field, generalized …
Intra- And Intermolecular Self-Assembly Of A 20-Nm-Wide Supramolecular Hexagonal Grid, Zhe Zhang, Yiming Li, Bo Song, Yuan Zhang, Xin Jiang, Ming Wang, Ryan Tumbleson, Changlin Liu, Pingshan Wang, Xin-Qi Hao, Tomas Rojas, Anh T. Ngo, Jonathan L. Sessler, George R. Newkome, Saw Wai Hla, Xiaopeng Li
Intra- And Intermolecular Self-Assembly Of A 20-Nm-Wide Supramolecular Hexagonal Grid, Zhe Zhang, Yiming Li, Bo Song, Yuan Zhang, Xin Jiang, Ming Wang, Ryan Tumbleson, Changlin Liu, Pingshan Wang, Xin-Qi Hao, Tomas Rojas, Anh T. Ngo, Jonathan L. Sessler, George R. Newkome, Saw Wai Hla, Xiaopeng Li
Physics Faculty Publications
For the past three decades, the coordination-driven self-assembly of three-dimensional structures has undergone rapid progress; however, parallel efforts to create large discrete two-dimensional architectures—as opposed to polymers—have met with limited success. The synthesis of metallo-supramolecular systems with well-defined shapes and sizes in the range of 10–100 nm remains challenging. Here we report the construction of a series of giant supramolecular hexagonal grids, with diameters on the order of 20 nm and molecular weights greater than 65 kDa, through a combination of intra- and intermolecular metal-mediated self-assembly steps. The hexagonal intermediates and the resulting self-assembled grid architectures were imaged at submolecular …
Microplastic Fragment And Fiber Contamination Of Beach Sediments From Selected Sites In Virginia And North Carolina, Usa, Gabrielle Z. Dodson, A. Katrina Shotorban, Patrick G. Hatcher, Derek Waggoner, Sutapa Ghosal, Nora Noffke
Microplastic Fragment And Fiber Contamination Of Beach Sediments From Selected Sites In Virginia And North Carolina, Usa, Gabrielle Z. Dodson, A. Katrina Shotorban, Patrick G. Hatcher, Derek Waggoner, Sutapa Ghosal, Nora Noffke
OES Faculty Publications
Microplastic particles (<5 >mm) constitute a growing pollution problem within coastal environments. This study investigated the microplastic presence of estuarine and barrier island beaches in the states of Virginia and North Carolina, USA. Seventeen sediment cores were collected at four study sites and initially tested for microplastic presence by pyrolysis-gas chromatography–mass spectrometry. For the extraction, microplastic particles were first separated from the sediment using a high-density cesium chloride solution (1.88 g/mL). In a second step, an oil extraction collected the remaining microplastic particles of higher densities. Under the light microscope, the extracted microplastic particles were classified based on their morphologies …5>
Synthesis, Characterization, And Drug Delivery Applications Of Carbohydrate Based Low Molecular Weight Gelators, Kristen Elizabeth Bashaw
Synthesis, Characterization, And Drug Delivery Applications Of Carbohydrate Based Low Molecular Weight Gelators, Kristen Elizabeth Bashaw
Chemistry & Biochemistry Theses & Dissertations
The main aim of the research focuses on the study of self-assembly and gelation by several classes of simple sugar derivatives and the potential applications of them as drug delivery vehicles. Since carbohydrates are naturally abundant renewable resources and are therefore readily available and many of them are inexpensive compared to other raw materials. They are also biocompatible which makes them suitable for a wide variety of applications. Combining the use of carbohydrates with low molecular weight gelators (LMWGs) we can introduce a new class of soft materials that are able to self-assemble into spheres, fibers, sheets, and micelles in …
How Oxygen Availability Affects The Antimicrobial Efficacy Of Host Defense Peptides: Lessons Learned From Studying The Copper-Binding Peptides Piscidins 1 And 3, Adenrele Oludiran, David S. Courson, Malia D. Stuart, Anwar R. Radwan, John C. Putsma, Myriam L. Cotten, Erin B. Purcell
How Oxygen Availability Affects The Antimicrobial Efficacy Of Host Defense Peptides: Lessons Learned From Studying The Copper-Binding Peptides Piscidins 1 And 3, Adenrele Oludiran, David S. Courson, Malia D. Stuart, Anwar R. Radwan, John C. Putsma, Myriam L. Cotten, Erin B. Purcell
Chemistry & Biochemistry Faculty Publications
The development of new therapeutic options against Clostridioides difficile (C. difficile) infection is a critical public health concern, as the causative bacterium is highly resistant to multiple classes of antibiotics. Antimicrobial host-defense peptides (HDPs) are highly effective at simultaneously modulating the immune system function and directly killing bacteria through membrane disruption and oxidative damage. The copper-binding HDPs piscidin 1 and piscidin 3 have previously shown potent antimicrobial activity against a number of Gram-negative and Gram-positive bacterial species but have never been investigated in an anaerobic environment. Synergy between piscidins and metal ions increases bacterial killing aerobically. Here, we …
Lipid Biomarkers Of Bering And Chukchi Sea Euphausiids And Their Application To Diet History, Rachel L. Pleuthner
Lipid Biomarkers Of Bering And Chukchi Sea Euphausiids And Their Application To Diet History, Rachel L. Pleuthner
OES Theses and Dissertations
In the eastern Bering Sea, Thysanoessa raschii are the most abundant krill species and a keystone trophic member that serve as both an important grazer and link to upper level consumers. In this system krill experience large annual variation in food resources, especially during ice advance and retreat; multiple lipid classes are used to temper the effects of those fluctuations, as well as to fuel reproduction and growth. Two shipboard feeding experiments that occurred during late spring and early summer of 2010, respectively, monitored the lipid retention in adult T. raschii and examined the fluctuation of specific lipid biomarkers under …
Protocol Measuring Horizontal Gene Transfer From Algae To Non-Photosynthetic Organisms, James Weifu Lee
Protocol Measuring Horizontal Gene Transfer From Algae To Non-Photosynthetic Organisms, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
Horizontal gene transfer (HGT) is a natural process for an organism to transfer genetic material to another organism that is a completely different species, for example, from a blue-green alga to a non-photosynthetic bacterium. The phenomenon of HGT is not only of an interest to the science of molecular genetics and biology, but also to the biosafety issue of genetic engineering. The novel protocol reported here for the first time teaches how to measure HGT from a genetically engineered (GE) blue-green alga (gene donor) to wild-type E. coli (recipient). This novel protocol can be used to measure HGT frequency for …
A Dual Nanostructured Approach To Sers Amenable To Large-Scale Production, Kory Brian Castro
A Dual Nanostructured Approach To Sers Amenable To Large-Scale Production, Kory Brian Castro
Chemistry & Biochemistry Theses & Dissertations
A SERS device was made using a dual-nanostructured surface comprised of silver nanoparticle and silver nanowires. The ability of each nanostructure to produce a uniform surface was characterized and the surface-enhanced Raman scattering (SERS) response of the resulting surfaces were examined using the reporter molecule 4-aminothiolphenol (ATP) and a 638 nm excitation laser.
A synthetic method was developed to produce silver nanowires with lengths of ~20 μm and diameters of ~100 nm with a narrow size distribution. The method utilized a simple, one-pot synthesis that is amenable to large-scale production. A selective precipitation method was used to the isolate the …
Study Of The Effects Of Silver Ions And Silver Nanoparticles On Embryonic Development, Martha Sharisha Johnson
Study Of The Effects Of Silver Ions And Silver Nanoparticles On Embryonic Development, Martha Sharisha Johnson
Biomedical Sciences Theses & Dissertations
This dissertation focuses on the study of the toxicity of metal nanoparticles (NPs) and their ions on the development of zebrafish embryos, aiming to understand unique biological effects of NPs and ions, and design new in vivo assays to characterize the toxicity of these metal NPs and metal ions. Currently, the underlying molecular mechanisms of biological effects of nanomaterials are partially understood. Some studies assume that the toxic effects of NPs can be attributed to the release of their ions. We investigate the effects of silver NPs (Ag NPs) and silver ions (Ag+ ions) on the embryonic development of zebrafish …
Toward Unraveling The Mechanisms Of “Green” Mechanochemical Reactions, Richard Chen, Mehmet Kerem Gokus
Toward Unraveling The Mechanisms Of “Green” Mechanochemical Reactions, Richard Chen, Mehmet Kerem Gokus
Undergraduate Research Symposium
The mechanical processing of solids, such as milling or grinding powders, often leads to mechanochemical reactions. Mechanochemistry affords “green” synthetic routes avoiding or reducing the use of solvents, thus providing environmentally friendly and cost-effective synthetic alternatives for many materials. The solid-state reactants are usually ground together with small quantities of organic solvents, called “liquid assisted grinding” (LAG). LAG increases the reaction rates, it can yield products from otherwise unreactive mixtures, it increases the products crystallinity, and it selectively leads to crystal structures (polymorphs) of the products, depending on the quantities and physicochemical properties of the liquids used in LAG.
Mechanochemistry …
Conformational Flexibility In The Enterovirus Rna Replication Platform, Meghan S. Warden, Kai Cai, Gabriel Cornilescu, Jordan E. Burke, Komala Ponniah, Samuel E. Butcher, Steven M. Pascal
Conformational Flexibility In The Enterovirus Rna Replication Platform, Meghan S. Warden, Kai Cai, Gabriel Cornilescu, Jordan E. Burke, Komala Ponniah, Samuel E. Butcher, Steven M. Pascal
Chemistry & Biochemistry Faculty Publications
A presumed RNA cloverleaf (5′CL), located at the 5′-most end of the noncoding region of the enterovirus genome, is the primary established site for initiation of genomic replication. Stem–loop B (SLB) and stem–loop D (SLD), the two largest stem–loops within the 5′CL, serve as recognition sites for protein interactions that are essential for replication. Here we present the solution structure of rhinovirus serotype 14 5′CL using a combination of nuclear magnetic resonance spectroscopy and small-angle X-ray scattering. In the absence of magnesium, the structure adopts an open, somewhat extended conformation. In the presence of magnesium, the structure compacts, bringing SLB …
Formation Of Water-Soluble Organic Matter Through Fungal Degradation Of Lignin, Seyyedhadi Khatami, Ying Deng, Ming Tien, Patrick G. Hatcher
Formation Of Water-Soluble Organic Matter Through Fungal Degradation Of Lignin, Seyyedhadi Khatami, Ying Deng, Ming Tien, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
Lignin is a major component of decaying terrestrial vegetation in soils and has been reported to contribute substantially to the formation of soil carbon humus and associated water extracts of soil. To better understand this process of humification, lignin from brown-rot degraded wood is subjected to a white-rot fungus (Phanerochaete chrysosporium)whose enzymes are particularly effective in lignin degradation. This enzymatic attack was monitored by ultrahigh resolution mass spectrometry of water soluble extracts of the fungal cultures. The ensuing molecular level characterizations showed that the P. chrysosporium fungi induced aromatic ring oxidations followed by ring opening as expected. However, …
The Tides They Are A-Changin': A Comprehensive Review Of Past And Future Nonastronomical Changes In Tides, Their Driving Mechanisms, And Future Implications, Ivan D. Haigh, Mark D. Pickering, J. A. Mattias Green, Brian K. Arbic, Arne Arns, Sönke Dangendorf, David F. Hill, Kevin Horsburgh, Tom Howard, Déborah Idier, David A. Jay, Leon Jänicke, Serena B. Lee, Malte Müller, Michael Schindelegger, Stefan A. Talke, Sophie-Berenice Wilmes, Philip L. Woodworth
The Tides They Are A-Changin': A Comprehensive Review Of Past And Future Nonastronomical Changes In Tides, Their Driving Mechanisms, And Future Implications, Ivan D. Haigh, Mark D. Pickering, J. A. Mattias Green, Brian K. Arbic, Arne Arns, Sönke Dangendorf, David F. Hill, Kevin Horsburgh, Tom Howard, Déborah Idier, David A. Jay, Leon Jänicke, Serena B. Lee, Malte Müller, Michael Schindelegger, Stefan A. Talke, Sophie-Berenice Wilmes, Philip L. Woodworth
CCPO Publications
Scientists and engineers have observed for some time that tidal amplitudes at many locations are shifting considerably due to nonastronomical factors. Here we review comprehensively these important changes in tidal properties, many of which remain poorly understood. Over long geological time scales, tectonic processes drive variations in basin size, depth, and shape and hence the resonant properties of ocean basins. On shorter geological time scales, changes in oceanic tidal properties are dominated by variations in water depth. A growing number of studies have identified widespread, sometimes regionally coherent, positive, and negative trends in tidal constituents and levels during the 19th, …
Functionality Of Membrane Proteins Overexpressed And Purified From E. Coli Is Highly Dependent Upon The Strain, Khadija Mathieu, Waqas Javed, Sylvain Vallet, Christian Lesterlin, Marie-Pierre Candusso, Feng Ding, Xiaohong Nancy Xu, Christine Ebel, Jean-Michel Jault, Cédric Orelle
Functionality Of Membrane Proteins Overexpressed And Purified From E. Coli Is Highly Dependent Upon The Strain, Khadija Mathieu, Waqas Javed, Sylvain Vallet, Christian Lesterlin, Marie-Pierre Candusso, Feng Ding, Xiaohong Nancy Xu, Christine Ebel, Jean-Michel Jault, Cédric Orelle
Chemistry & Biochemistry Faculty Publications
Overexpression of correctly folded membrane proteins is a fundamental prerequisite for functional and structural studies. One of the most commonly used expression systems for the production of membrane proteins is Escherichia coli. While misfolded proteins typically aggregate and form inclusions bodies, membrane proteins that are addressed to the membrane and extractable by detergents are generally assumed to be properly folded. Accordingly, GFP fusion strategy is often used as a fluorescent proxy to monitor their expression and folding quality. Here we investigated the functionality of two different multidrug ABC transporters, the homodimer BmrA from Bacillus subtilis and the heterodimer PatA/PatB …
Recent Trends In Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng
Recent Trends In Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng
Chemistry & Biochemistry Faculty Publications
Very short‐lived substances (VSLS), including dichloromethane (CH2Cl2), chloroform (CHCl3), perchloroethylene (C2Cl4), and 1,2‐dichloroethane (C2H4Cl2), are a stratospheric chlorine source and therefore contribute to ozone depletion. We quantify stratospheric chlorine trends from these VSLS (VSLCltot) using a chemical transport model and atmospheric measurements, including novel high‐altitude aircraft data from the NASA VIRGAS (2015) and POSIDON (2016) missions. We estimate VSLCltot increased from 69 (±14) parts per trillion (ppt) Cl in 2000 to 111 (±22) ppt Cl in 2017, with >80% delivered to …
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Chemistry & Biochemistry Faculty Publications
A rovibronic line list for the ground (X3Σ−) and first excited (a1Δ) states of phosphinidene, 31PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with temperatures up to 4000 K. A combination of empirical and ab initio data is used to produce the line list: potential energy curves (PECs) are fitted using experimental transition frequencies; these transitions are reproduced with a root mean square error of 0.01 cm−1. The nuclear Schrödinger equation is solved using these PECs plus Born–Oppenheimer and spin splitting correction terms. …
Shelf Inputs And Lateral Transport Of Mn, Co, And Ce In The Western North Pacific Ocean, Peter L. Morton, William M. Landing, Alan M. Shiller, Amy Moody, Thomas D. Kelly, Michael Bizimis, John R. Donat, Eric H. De Carlo, Joseph Shacat
Shelf Inputs And Lateral Transport Of Mn, Co, And Ce In The Western North Pacific Ocean, Peter L. Morton, William M. Landing, Alan M. Shiller, Amy Moody, Thomas D. Kelly, Michael Bizimis, John R. Donat, Eric H. De Carlo, Joseph Shacat
Chemistry & Biochemistry Faculty Publications
The margin of the western North Pacific Ocean releases redox-active elements like Mn, Co, and Ce into the water column to undergo further transformation through oxide formation, scavenging, and reductive dissolution. Near the margin, the upper ocean waters enriched in these elements are characterized by high dissolved oxygen, low salinity, and low temperature, and are a source of the North Pacific Intermediate Water. High dissolved concentrations are observed across the Western Subarctic Gyre, with a rapid decrease in concentrations away from the margin and across the subarctic-subtropical front. The particulate concentrations of Mn, Co, and Ce are also high in …
Molecular Level Comparison Of Water Extractives Of Maple And Oak With Negative And Positive Ion Esi Ft-Icr Mass Spectrometry, Zhongqi He, Rachel L. Sleighter, Patrick G. Hatcher, Shasha Liu, Fengchang Wu, Haixuan Zou, O. Modesto Olanya
Molecular Level Comparison Of Water Extractives Of Maple And Oak With Negative And Positive Ion Esi Ft-Icr Mass Spectrometry, Zhongqi He, Rachel L. Sleighter, Patrick G. Hatcher, Shasha Liu, Fengchang Wu, Haixuan Zou, O. Modesto Olanya
Chemistry & Biochemistry Faculty Publications
Soluble extractives in wood function to protect living trees from destructive agents and also contribute to wood color and fragrance. Some extractive components have biological activities with medical applications. They also play important roles in wood processing and related applications. To increase the knowledge of wood chemistry, maple and oak were extracted by water. Ultraviolet/visible (UV/vis) spectroscopy indicated the presence of a phenolic compound, resorcinol, in maple extractives having higher molecular mass and more aromatic components than oak extractives. Negative and positive electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR-MS) identified thousands of formulas in the two …