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Articles 31 - 60 of 650

Full-Text Articles in Physical Sciences and Mathematics

Design, Monitoring And Management Approaches For The Root-Zone In Microgravity, Scott B. Jones Jul 2020

Design, Monitoring And Management Approaches For The Root-Zone In Microgravity, Scott B. Jones

Funded Research Records

No abstract provided.

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Comparison Of Accelerated Solvent Extraction (Ase) And Energized Dispersive Guided Extraction (Edge) For The Analysis Of Pesticides In Leaves, Ashlie D. Kinross, Kimberly J. Hageman, William J. Doucette, Alexandria L. Foster Jul 2020

Comparison Of Accelerated Solvent Extraction (Ase) And Energized Dispersive Guided Extraction (Edge) For The Analysis Of Pesticides In Leaves, Ashlie D. Kinross, Kimberly J. Hageman, William J. Doucette, Alexandria L. Foster

Chemistry and Biochemistry Faculty Publications

Various techniques have been evaluated for the extraction and cleanup of pesticides from environmental samples. In this work, a Selective Pressurized Liquid Extraction (SPLE) method for pesticides was developed using a Thermo Fisher Scientific Accelerated Solvent Extraction (ASE) system. This instrument was compared to the newly introduced (2017) extraction instrument, the Energized Dispersive Guided Extraction (EDGE) system, which combines Pressurized Liquid Extraction (PLE) and dispersive Solid Phase Extraction (dSPE). We first optimized the SPLE method using the ASE instrument for pesticide extraction from alfalfa leaves using layers of Florisil and graphitized carbon black (GCB) downstream of the leaf homogenate in …

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Strong Temporal Variability In Methane Fluxes From Natural Gas Well Pad Soils, Seth N. Lyman, Huy N. Q. Tran, Marc L. Mansfield, Ric Bowers, Ann Smith May 2020

Strong Temporal Variability In Methane Fluxes From Natural Gas Well Pad Soils, Seth N. Lyman, Huy N. Q. Tran, Marc L. Mansfield, Ric Bowers, Ann Smith

Bingham Research Center

We measured methane and carbon dioxide fluxes at natural gas well pad soils and undisturbed soils in the Rocky Mountain and Gulf Coast regions of the United States, including producing and gas storage wells. We collected both short-term (15 min) and multi-day (between 3 and 8), continuous measurements at 47 well pads and two undisturbed locations. Methane fluxes varied by more than an order of magnitude over periods as short as 30 min (e.g., 19–593 mg m−2 h−1 in one instance), and diurnal and seasonal variability was also significant (e.g., spring-to-fall change from 509 to 14174 mg m …

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Influence Of Adjuvants On Pesticide Soil-Air Partition Coefficients: Laboratory Measurements And Predicted Effects On Volatilization, Supta Das, Kimberly J. Hageman May 2020

Influence Of Adjuvants On Pesticide Soil-Air Partition Coefficients: Laboratory Measurements And Predicted Effects On Volatilization, Supta Das, Kimberly J. Hageman

Chemistry and Biochemistry Faculty Publications

A solid-phase fugacity meter was used to measure the soil–air partition coefficients of three semivolatile pesticides (chlorpyrifos, pyrimethanil, and trifluralin) in the absence of additional adjuvants (Ksoil–air,AI), as part of commercial formulations (Ksoil–air,formulation), and as formulation mixtures with an additional spray adjuvant added (Ksoil–air,formulation+spray adjuvant). Chlorpyrifos Ksoil–air,formulation values were also measured over 15–30 °C, allowing for the change in internal energy of the phase transfer reaction (Δsoil–airU) to be calculated and compared to the Δsoil–airU for Ksoil–air,AI from the literature. Measured Ksoil–air values …

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N3-Ligated Nickel(Ii) Diketonate Complexes: Synthesis, Characterization And Evaluation Of O2 Reactivity, Josiah G. D. Elsberg, Austin Peterson, Amy L. Fuller, Lisa M. Berreau May 2020

N3-Ligated Nickel(Ii) Diketonate Complexes: Synthesis, Characterization And Evaluation Of O2 Reactivity, Josiah G. D. Elsberg, Austin Peterson, Amy L. Fuller, Lisa M. Berreau

Chemistry and Biochemistry Faculty Publications

Interest in O2-dependent aliphatic carbon–carbon (C–C) bond cleavage reactions of first row divalent metal diketonate complexes stems from the desire to further understand the reaction pathways of enzymes such as DKE1 and to extract information to develop applications in organic synthesis. A recent report of O2-dependent aliphatic C–C bond cleavage at ambient temperature in Ni(II) diketonate complexes supported by a tridentate nitrogen donor ligand [(MBBP)Ni(PhC(O)CHC(O)Ph)]Cl (7-Cl; MBBP = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine) in the presence of NEt3 spurred our interest in further examining the chemistry of such complexes. A series of new TERPY-ligated Ni(II) diketonate complexes of the …

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Modeling The Alkaline Hydrolysis Of Diaryl Sulfate Diesters: A Mechanistic Study, Klaudia Szeler, Nicholas H. Williams, Alvan C. Hengge, Shina C. Kamerlin Apr 2020

Modeling The Alkaline Hydrolysis Of Diaryl Sulfate Diesters: A Mechanistic Study, Klaudia Szeler, Nicholas H. Williams, Alvan C. Hengge, Shina C. Kamerlin

Chemistry and Biochemistry Faculty Publications

Phosphate and sulfate esters have important roles in regulating cellular processes. However, while there has been substantial experimental and computational investigation of the mechanisms and the transition states involved in phosphate ester hydrolysis, there is far less work on sulfate ester hydrolysis. Here, we report a detailed computational study of the alkaline hydrolysis of diaryl sulfate diesters, using different DFT functionals as well as mixed implicit/explicit solvation with varying numbers of explicit water molecules. We consider the impact of the computational model on computed linear free-energy relationships (LFER) and the nature of the transition states (TS) involved. We obtain good …

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Dominant Negative Effects By Inactive Spa47 Mutants Inhibit T3ss Function And Shigella Virulence, Jamie L. Burgess, Heather B. Case, R. Alan Burgess, Nicholas E. Dickenson Jan 2020

Dominant Negative Effects By Inactive Spa47 Mutants Inhibit T3ss Function And Shigella Virulence, Jamie L. Burgess, Heather B. Case, R. Alan Burgess, Nicholas E. Dickenson

Chemistry and Biochemistry Faculty Publications

Type three secretion systems (T3SS) are complex nano-machines that evolved to inject bacterial effector proteins directly into the cytoplasm of eukaryotic cells. Many high-priority human pathogens rely on one or more T3SSs to cause disease and evade host immune responses, underscoring the need to better understand the mechanisms through which T3SSs function and their role(s) in supporting pathogen virulence. We recently identified the Shigella protein Spa47 as an oligomerization-activated T3SS ATPase that fuels the T3SS and supports overall Shigella virulence. Here, we provide both in vitro and in vivo characterization of Spa47 oligomerization and activation in the presence and absence …

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Aspen Soils Retain More Dissolved Organic Carbon Than Conifer Soils In A Sorption Experiment, Antra Boca, Astrid R. Jacobson, Helga Van Miegroet Jan 2020

Aspen Soils Retain More Dissolved Organic Carbon Than Conifer Soils In A Sorption Experiment, Antra Boca, Astrid R. Jacobson, Helga Van Miegroet

T.W. "Doc" Daniel Experimental Forest

The effect tree species have on soil organic carbon (SOC) has been hotly debated but, so far, few clear patterns have emerged. One example of a differing tree species effect on SOC is aspen forests in North America, which have been found to have more stable SOC than adjacent conifer forest stands. An important source for the formation of stable organo-mineral complexes in the soil is dissolved organic carbon (DOC). DOC concentrations in mineral soil are often higher under the thick O-horizons of conifer forests than under aspen forests, but this does not correspond to more stable mineral SOC. This …

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Snow Processes In Mountain Forests: Interception Modeling For Coarse-Scale Applications, Nora Helbig, David Moeser, Michaela Teich, Laure Vincent, Yves Lejeune, Jean-Emmanuel Sicart, Jean-Matthieu Monnet Jan 2020

Snow Processes In Mountain Forests: Interception Modeling For Coarse-Scale Applications, Nora Helbig, David Moeser, Michaela Teich, Laure Vincent, Yves Lejeune, Jean-Emmanuel Sicart, Jean-Matthieu Monnet

T.W. "Doc" Daniel Experimental Forest

Snow interception by the forest canopy controls the spatial heterogeneity of subcanopy snow accumulation leading to significant differences between forested and nonforested areas at a variety of scales. Snow intercepted by the forest canopy can also drastically change the surface albedo. As such, accurately modeling snow interception is of importance for various model applications such as hydrological, weather, and climate predictions. Due to difficulties in the direct measurements of snow interception, previous empirical snow interception models were developed at just the point scale. The lack of spatially extensive data sets has hindered the validation of snow interception models in different …

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A 100-M-Scale Modeling Study Of A Gale Event On The Lee Side Of A Long Narrow Mountain, Halie Xue, Jian Li, Tingting Qian, Hongping Gu Dec 2019

A 100-M-Scale Modeling Study Of A Gale Event On The Lee Side Of A Long Narrow Mountain, Halie Xue, Jian Li, Tingting Qian, Hongping Gu

Plants, Soils, and Climate Faculty Publications

In this study, a gale event that occurred on the lee side of a long narrow mountain was investigated, together with the associated mountain flows, using a realistic-case large-eddy simulation (LES) that is based on the Weather Research and Forecasting Model. The mountain is located on the southeastern Tibetan Plateau, where approximately 58 gales occur annually, mostly in the afternoons during the winter season. Benefitting from realistic topography and high horizontal resolution as fine as 111 m, the LES can replicate features similar to the wind fields observed during the gale period. Investigation of the early morning wind structure over …

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Aerial And Ground-Based Optical Gas Imaging Survey Of Uinta Basin Oil And Gas Wells, Seth N. Lyman, Trang Tran, Marc L. Mansfield, Arvind P. Ravikumar Nov 2019

Aerial And Ground-Based Optical Gas Imaging Survey Of Uinta Basin Oil And Gas Wells, Seth N. Lyman, Trang Tran, Marc L. Mansfield, Arvind P. Ravikumar

Bingham Research Center

We deployed a helicopter with an infrared optical gas imaging camera to detect hydrocarbon emissions from 3,428 oil and gas facilities (including 3,225 producing oil and gas well pads) in Utah’s Uinta Basin during winter and spring 2018. We also surveyed 419 of the same well pads from the ground. Winter conditions led to poor contrast between emission plumes and the ground, leading to a detection limit for the aerial survey that was between two and six times worse than a previous summertime survey. Because the ground survey was able to use the camera’s high-sensitivity mode, the rate of detected …

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The Total Syntheses Of Jbir-94 And Two Synthetic Analogs And Their Cytotoxicities Against A549 (Ccl-185) Human Small Lung Cancer Cells, Cathy L. Mangum, Mica B. Munford, Alyssa Sam, Sandra K. Young, Jeremy T. Beales, Yagya Prasad Subedi, Chad D. Mangum, Tanner J. Allen, Miranda S. Liddell, Andrew I. Merrell, Diana I. Saavedra, Becky L. Williams, Nicole Evans, Joseph L. Beales, Mike A. Christiansen Nov 2019

The Total Syntheses Of Jbir-94 And Two Synthetic Analogs And Their Cytotoxicities Against A549 (Ccl-185) Human Small Lung Cancer Cells, Cathy L. Mangum, Mica B. Munford, Alyssa Sam, Sandra K. Young, Jeremy T. Beales, Yagya Prasad Subedi, Chad D. Mangum, Tanner J. Allen, Miranda S. Liddell, Andrew I. Merrell, Diana I. Saavedra, Becky L. Williams, Nicole Evans, Joseph L. Beales, Mike A. Christiansen

Chemistry and Biochemistry Faculty Publications

We here disclose the total syntheses of the natural polyphenol JBIR-94 and two nonnatural analogs, whose structures are of interest for their bioactivity potential as radical scavengers. Although we initially attempted this by dually acylating both of putrecine’s amine nitrogens in a single pot, our endeavors with this method (which has been successfully reported by other groups) proved ineffectual. We accordingly opted for the lengthier approach of acylating each amine individually, which gratuitously prevailed and also aligns with separate literature precedent. Moreover, we here share our analysis of these target compounds’ cytotoxicities and IC50 values against A549 (CCL-185) human …

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Salt Tolerance Of Sego Supremetm Plants, Asmita Paudel, Ji Jhong Chen, Youping Sun, Yuxiang Wang, Richard M. Anderson Nov 2019

Salt Tolerance Of Sego Supremetm Plants, Asmita Paudel, Ji Jhong Chen, Youping Sun, Yuxiang Wang, Richard M. Anderson

Plants, Soils, and Climate Faculty Publications

Sego SupremeTM is a designated plant breeding and introduction program at the Utah State University Botanical Center and the Center for Water Efficient Landscaping. This plant selection program introduces native and adapted plants to the arid West for aesthetic landscaping and water conservation. The plants are evaluated for characteristics such as color, flowering, ease of propagation, market demand, disease/pest resistance, and drought tolerance. However, salt tolerance has not been considered during the evaluation processes. Four Sego SupremeTM plants [Aquilegia barnebyi (oil shale columbine), Clematis fruticosa (Mongolian gold clematis), Epilobium septentrionale (northern willowherb), and Tetraneuris acaulis var. arizonica …

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Fate Of The Organophosphate Insecticide, Chlorpyrifos, In Leaves, Soil, And Air Following Application, Supta Das, Kimberly J. Hageman, Madeleine Taylor, Sue Michelsen-Heath, Ian Stewart Oct 2019

Fate Of The Organophosphate Insecticide, Chlorpyrifos, In Leaves, Soil, And Air Following Application, Supta Das, Kimberly J. Hageman, Madeleine Taylor, Sue Michelsen-Heath, Ian Stewart

Chemistry and Biochemistry Faculty Publications

A field study was conducted to further our understanding about the fate and transport of the organophosphate insecticide, chlorpyrifos, and its degradation product, chlorpyrifos oxon. Leaf, soil and air sampling was conducted for 21 days after chlorpyrifos application to a field of purple tansy (Phacelia tanacetifolia). Air samples were collected using a high-volume air sampler (HVAS) and seven battery-operated medium-volume active air samplers placed around the field and on a 500-m transect extending away from the field. Chlorpyrifos was detected every day of the sampling period in all matrices, with concentrations decreasing rapidly after application. Chlorpyrifos oxon was …

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Differences In Drought Tolerance Among Gisela® Cherry Rootstocks Determined Using Automated Weighing Lysimeters, Lance V. Stott, Brent Black, Bruce Bugbee Oct 2019

Differences In Drought Tolerance Among Gisela® Cherry Rootstocks Determined Using Automated Weighing Lysimeters, Lance V. Stott, Brent Black, Bruce Bugbee

Plants, Soils, and Climate Faculty Publications

The Gisela® series of dwarfing rootstock are widely used because they enable high-density production, but they may be sensitive to drought. Drought tolerance may be associated with root-zone distribution and depth or with physiological adaptation to low water potential. Here we describe a novel technique for determining physiological tolerance to drought when root distribution is held constant. In two matching studies, we continuously measured transpiration of two groups of eight trees using a 16-container automated weighing lysimeter system in a greenhouse. With this system, Gisela® 3, 5, and 12 (G.3, G.5, and G.12) rootstocks were subjected to multiple, controlled drought …

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Data From: Cavitation Clusters In Lipid Systems – The Generation Of A Bifurcated Streamer And The Dual Collapse Of A Bubble Cluster, Silvana Martini, Peter Birkin, Tadd T. Truscott Oct 2019

Data From: Cavitation Clusters In Lipid Systems – The Generation Of A Bifurcated Streamer And The Dual Collapse Of A Bubble Cluster, Silvana Martini, Peter Birkin, Tadd T. Truscott

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Over the past decade several studies have reported the use of high intensity ultrasound (HIU) to induce the crystallization of lipids. The effect that HIU has on lipid crystallization is usually attributed to the generation of cavities but acoustic cavitation has never been fully explored in lipids. The dynamics of a particular cavitation cluster next to a piston like emitter in an oil, was investigated in this study. The lipid systems, which are important in food processing, are studied with high-speed camera imaging, laser scattering and pressure measurements. A sequence of stable clusters were noted. In addition, a bifurcated streamer …

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Theoretical Studies Of Ir And Nmr Spectral Changes Induced By Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, And Tetrel Bonds In A Model Protein Environment, Mariusz Michalczyk, Wiktor Zierkiewicz, Rafał Wysokiński, Steve Scheiner Sep 2019

Theoretical Studies Of Ir And Nmr Spectral Changes Induced By Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, And Tetrel Bonds In A Model Protein Environment, Mariusz Michalczyk, Wiktor Zierkiewicz, Rafał Wysokiński, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Various types of σ-hole bond complexes were formed with FX, HFY, H2FZ, and H3FT (X = Cl, Br, I; Y = S, Se, Te; Z = P, As, Sb; T = Si, Ge, Sn) as Lewis acid. In order to examine their interactions with a protein, N-methylacetamide (NMA), a model of the peptide linkage was used as the base. These noncovalent bonds were compared by computational means with H-bonds formed by NMA with XH molecules (X = F, Cl, Br, I). In all cases, the A–F bond, which lies opposite the base and is responsible for …

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Anisotropic Singlet Fission In Single Crystalline Hexacene, Dezheng Sun, Gang-Hua Deng, Bolei Xu, Enshi Xu, Xia Li, Yajing Wu, Yuqin Qian, Yu Zhong, Colin Nuckolls, Avetik R. Harutyunyan, Hai-Lung Dai, Gugang Chen, Hanning Chen, Yi Rao Aug 2019

Anisotropic Singlet Fission In Single Crystalline Hexacene, Dezheng Sun, Gang-Hua Deng, Bolei Xu, Enshi Xu, Xia Li, Yajing Wu, Yuqin Qian, Yu Zhong, Colin Nuckolls, Avetik R. Harutyunyan, Hai-Lung Dai, Gugang Chen, Hanning Chen, Yi Rao

Chemistry and Biochemistry Faculty Publications

Singlet fission is known to improve solar energy utilization by circumventing the Shockley-Queisser limit. The two essential steps of singlet fission are the formation of a correlated triplet pair and its subsequent quantum decoherence. However, the mechanisms of the triplet pair formation and decoherence still remain elusive. Here we examined both essential steps in single crystalline hexacene and discovered remarkable anisotropy of the overall singlet fission rate along different crystal axes. Since the triplet pair formation emerges on the same timescale along both crystal axes, the quantum decoherence is likely responsible for the directional anisotropy. The distinct quantum decoherence rates …

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Spectroscopic Description Of The E1 State Of Mo Nitrogenase Based On Mo And Fe X‑Ray Absorption And MöSsbauer Studies, Casey Van Stappen, Roman Davydov, Zhi-Yong Yang, Ruixi Fan, Yisong Guo, Eckhard Bill, Lance C. Seefeldt, Brian M. Hoffman, Serena Debeer Aug 2019

Spectroscopic Description Of The E1 State Of Mo Nitrogenase Based On Mo And Fe X‑Ray Absorption And MöSsbauer Studies, Casey Van Stappen, Roman Davydov, Zhi-Yong Yang, Ruixi Fan, Yisong Guo, Eckhard Bill, Lance C. Seefeldt, Brian M. Hoffman, Serena Debeer

Chemistry and Biochemistry Faculty Publications

Mo nitrogenase (N2ase) utilizes a two-component protein system, the catalytic MoFe and its electron-transfer partner FeP, to reduce atmospheric dinitrogen (N2) to ammonia (NH3). The FeMo cofactor contained in the MoFe protein serves as the catalytic center for this reaction and has long inspired model chemistry oriented toward activating N2. This field of chemistry has relied heavily on the detailed characterization of how Mo N2ase accomplishes this feat. Understanding the reaction mechanism of Mo N2ase itself has presented one of the most challenging problems in bioinorganic chemistry because of the ephemeral nature of its …

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Effects Of Halogen, Chalcogen, Pnicogen, And Tetrel Bonds On Ir And Nmr Spectra, Jia Lu, Steve Scheiner Aug 2019

Effects Of Halogen, Chalcogen, Pnicogen, And Tetrel Bonds On Ir And Nmr Spectra, Jia Lu, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Complexes were formed pairing FX, FHY, FH2Z, and FH3T (X = Cl, Br, I; Y = S, Se, Te; Z = P, As, Sb; T = Si, Ge, Sn) with NH3 in order to form an A⋯N noncovalent bond, where A refers to the central atom. Geometries, energetics, atomic charges, and spectroscopic characteristics of these complexes were evaluated via DFT calculations. In all cases, the A–F bond, which is located opposite the base and is responsible for the σ-hole on the A atom, elongates and its stretching frequency undergoes a shift to the red. This …

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Consecutive Extreme Flooding And Heat Wave In Japan: Are They Becoming A Norm?, Shih-Yu Simon Wang, Hyungjun Kim, Dim Coumou, Jin-Ho Yoon, Lin Zhao, Robert R. Gillies Jul 2019

Consecutive Extreme Flooding And Heat Wave In Japan: Are They Becoming A Norm?, Shih-Yu Simon Wang, Hyungjun Kim, Dim Coumou, Jin-Ho Yoon, Lin Zhao, Robert R. Gillies

Plants, Soils, and Climate Faculty Publications

In July 2018, Japan experienced two contrasting, yet consecutive, extreme events: a devastating flood in early July followed by unprecedented heat waves a week later. Death tolls from these two extreme events combined exceeded 300, accompanying tremendous economic losses (BBC: July 24, 2018; AP: July 30, 2018). Meteorological analysis on these 2018 events quickly emerged (JMA-TCC, 2018; Kotsuki et al., 2019; Tsuguti et al., 2019), highlighting several compound factors: a strengthened subtropical anticyclone, a deepened synoptic trough, and Typhoon Prapiroon that collectively enhanced the Baiu rainband (the Japanese summer monsoon), fostering heavy precipitation. The comprehensive study of these events, conducted …

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Consumption Of Black Raspberries Altered The Composition Of The Fecal Microbiome In Mice Fed A Western Type Diet (Or04-01-19), Abby D. Benninghoff, Sumira Phatak, Korry Hintze Jun 2019

Consumption Of Black Raspberries Altered The Composition Of The Fecal Microbiome In Mice Fed A Western Type Diet (Or04-01-19), Abby D. Benninghoff, Sumira Phatak, Korry Hintze

Chemistry and Biochemistry Faculty Publications

Dietary strategies to reduce colonic inflammation and promote gut homeostasis may markedly reduce the risk of colitis-associated colorectal cancer. Previously, we showed that dietary supplementation with black raspberries significantly suppressed colitis and colon tumorigenesis promoted by the consumption a Western type diet in mice. In this study, our goal was to assess the impact of consumption of the TWD with and without black raspberry supplementation on the composition of the fecal microbiome over the course of disease development.

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Dietary Intervention With Black Raspberries To Reduce Colitis Symptoms In Mice Fed Either Standard Ain93g Diet Or The Total Western Diet (P05-021-19), Daphne Michelle Rodriguez Jimenez, Michaela Brubaker, Elizabeth Park, Canyon Neal, Korry Hintze, Abby D. Benninghoff Jun 2019

Dietary Intervention With Black Raspberries To Reduce Colitis Symptoms In Mice Fed Either Standard Ain93g Diet Or The Total Western Diet (P05-021-19), Daphne Michelle Rodriguez Jimenez, Michaela Brubaker, Elizabeth Park, Canyon Neal, Korry Hintze, Abby D. Benninghoff

Chemistry and Biochemistry Faculty Publications

Approximately 1.4 million people suffer from inflammatory bowel disease, which is a major risk factor for developing colitis associated colorectal cancer (CAC). Dietary interventions with the goal to reduce colon inflammation and encourage gut microbiome homeostasis may be a strategy to reduce the risk of CAC. The antioxidants and anti-inflammatory compounds present in black raspberries (BRB) have demonstrated protective effects in the colon epithelium and may alter the composition of the gut microbiome. Previously, we showed that dietary supplementation with black raspberries significantly suppressed colitis and colon tumorigenesis promoted by the consumption of a Western type diet in mice. The …

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On The Ability Of Pnicogen Atoms To Engage In Both Σ And Π-Hole Complexes. Heterodimers Of Zf2C6H5 (Z = P, As, Sb, Bi) And Nh3, Wiktor Zierkiewicz, Mariusz Michalczyk, Rafał Wysokiński, Steve Scheiner May 2019

On The Ability Of Pnicogen Atoms To Engage In Both Σ And Π-Hole Complexes. Heterodimers Of Zf2C6H5 (Z = P, As, Sb, Bi) And Nh3, Wiktor Zierkiewicz, Mariusz Michalczyk, Rafał Wysokiński, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

When bound to a pair of F atoms and a phenyl ring, a pyramidal pnicogen (Z) atom can form a pnicogen bond wherein an NH3 base lies opposite one F atom. In addition to this σ-hole complex, the ZF2C6H5 molecule can distort in such a way that the NH3 approaches on the opposite side to the lone pair on Z, where there is a so-called π-hole. The interaction energies of these π-hole dimers are roughly 30 kcal/mol, much larger than the equivalent quantities for the σ-hole complexes, which are only 4–13 kcal/mol. On …

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On The Relationship Between North India Summer Monsoon Rainfall And East Equatorial Indian Ocean Warming, Ramesh Kumar Yadav, Mathew Koll Roxy May 2019

On The Relationship Between North India Summer Monsoon Rainfall And East Equatorial Indian Ocean Warming, Ramesh Kumar Yadav, Mathew Koll Roxy

Plants, Soils and Climate Student Research

Generally, a strong north India summer-monsoon rainfall (NISR) is associated with anomalous upper troposphere ridge over northwest of India. This ridge triggers anomalous northerly winds over Tibetan Plateau and easterlies over India. The easterly anomaly over India reduces the tropospheric wind shear, while the northerly at Tibetan plateau allows frequent intrusions of high-latitude dry and cold meridional winds to interact with the lower-level relatively warm and moist easterly monsoonal flow, enhancing the NISR. The current study, using a suite of observations, reanalysis products and numerical model sensitivity experiments, explores the changes in NISR, and its association with the warming in …

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Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Nikolay V. Tkachenko, Alexander I. Boldyrev Apr 2019

Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Nikolay V. Tkachenko, Alexander I. Boldyrev

Chemistry and Biochemistry Faculty Publications

Nonagermanide clusters are widely used in inorganic synthesis and are actively studied by experimentalists and theoreticians. However, chemical bonding of such versatile species is still not completely understood. In our work we deciphered a bonding pattern for various experimentally obtained nonagermanide species. We localized the electron density via the AdNDP algorithm for the model structures ([Ge9]4−, [Ge9{P(NH2)2}3]−, Cu[Ge9{P(NH2)2}3] and Cu(NHC)[Ge9{P(NH2)2}3]) and obtained a simple and chemically intuitive bonding pattern which …

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Interactions Of (My) 6 (M = Zn, Cd; Y = O, S, Se) Quantum Dots With N-Bases, Mariusz Michalczyk, Wiktor Zierkiewicz, Steve Scheiner Apr 2019

Interactions Of (My) 6 (M = Zn, Cd; Y = O, S, Se) Quantum Dots With N-Bases, Mariusz Michalczyk, Wiktor Zierkiewicz, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

(MY)6 clusters, with M = Zn and Cd and Y = O, S, Se, form double-layer drum-like structures containing M–Y covalent bonds. The positive regions near the M atoms attract the N atom of both NH3 and NMe3 so as to form a noncovalent M···N bond. This bond is quite strong, with interaction energies exceeding 35 kcal/mol. The bond strength diminishes with reduced electronegativity of the Y atom (O > S > Se) and is stronger for M = Zn than for Cd. Trimethylation of the base enhances the bond strength. The interaction is dominated by the electrostatic component …

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Marine Reserves Shape Seascapes On Scales Visible From Space, Elizabeth M. P. Madin, Alastair R. Harborne, Aaron M. T. Harmer, Osmar J. Luiz, Trisha Brooke Atwood, Brian J. Sullivan, Joshua S. Madin Apr 2019

Marine Reserves Shape Seascapes On Scales Visible From Space, Elizabeth M. P. Madin, Alastair R. Harborne, Aaron M. T. Harmer, Osmar J. Luiz, Trisha Brooke Atwood, Brian J. Sullivan, Joshua S. Madin

Watershed Sciences Faculty Publications

Marine reserves can effectively restore harvested populations, and ‘mega-reserves’ increasingly protect large tracts of ocean. However, no method exists of monitoring ecological responses at this large scale. Herbivory is a key mechanism structuring ecosystems, and this consumer–resource interaction's strength on coral reefs can indicate ecosystem health. We screened 1372, and measured features of 214, reefs throughout Australia's Great Barrier Reef using high-resolution satellite imagery, combined with remote underwater videography and assays on a subset, to quantify the prevalence, size and potential causes of ‘grazing halos’. Halos are known to be seascape-scale footprints of herbivory and other ecological interactions. Here we …

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The Nifz Accessory Protein Has An Equivalent Function In Maturation Of Both Nitrogenase Mofe Protein P-Clusters, Emilio Jimenez-Vicente, Zhi-Yong Yang, Julia S. Martin Del Campo, Valarie L. Cash, Lance C. Seefeldt, Dennis R. Dean Apr 2019

The Nifz Accessory Protein Has An Equivalent Function In Maturation Of Both Nitrogenase Mofe Protein P-Clusters, Emilio Jimenez-Vicente, Zhi-Yong Yang, Julia S. Martin Del Campo, Valarie L. Cash, Lance C. Seefeldt, Dennis R. Dean

Chemistry and Biochemistry Faculty Publications

The Mo-dependent nitrogenase comprises two interacting components called the Fe protein and the MoFe protein. The MoFe protein is an α2β2 heterotetramer that harbors two types of complex metalloclusters, both of which are necessary for N2reduction. One type is a 7Fe-9S-Mo-C-homocitrate species designated FeMo-cofactor, which provides the N2-binding catalytic site, and the other is an 8Fe-7S species designated the P-cluster, involved in mediating intercomponent electron transfer to FeMo-cofactor. The MoFe protein's catalytic partner, Fe protein, is also required for both FeMo-cofactor formation and the conversion of an immature form of P-clusters to the …

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Increased Variability Of Thailand's Chao Phraya River Peak Season Flow And Its Association With Enso Variability: Evidence From Tree Ring Δ18O, Chenxi Xu, Brendan M. Buckley, Parichart Promchote, S.-Y. Simon Wang, Nathsuda Pumijumnong, Wenling An, Masaki Sano, Takeshi Nakatsuka, Zhengtang Guo Apr 2019

Increased Variability Of Thailand's Chao Phraya River Peak Season Flow And Its Association With Enso Variability: Evidence From Tree Ring Δ18O, Chenxi Xu, Brendan M. Buckley, Parichart Promchote, S.-Y. Simon Wang, Nathsuda Pumijumnong, Wenling An, Masaki Sano, Takeshi Nakatsuka, Zhengtang Guo

Plants, Soils, and Climate Faculty Publications

We present a statistically robust reconstruction of Thailand's Chao Phraya River peak season streamflow (CPRPF) that spans the 202 years from 1804 to 2005 CE. Our reconstruction is based on tree ring δ18O series derived from three Pinus merkusii sites from Laos and Thailand. The regional δ18O index accounts for 57% of the observed variance of CPRPF. Spatial correlation and 21‐year running correlation analyses reveal that CPRPF is greatly influenced by regional precipitation variations associated with the El Niño–Southern Oscillation (ENSO). Periods of enhanced and reduced ENSO activity are associated with strong and weak ENSO‐streamflow correlation, …

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