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Chemistry

2019

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Articles 1 - 30 of 679

Full-Text Articles in Physical Sciences and Mathematics

Photophysical And Optical Properties Of Semiconducting Polymer Nanoparticles Prepared From Hyaluronic Acid And Polysorbate 80, Adam Langlois, Gage T. Mason, Michael H.L. Nguyen, Mehdi Rezapour, Paul Ludovic Karsenti, Drew Marquardt, Simon Rondeau-Gagné Dec 2019

Photophysical And Optical Properties Of Semiconducting Polymer Nanoparticles Prepared From Hyaluronic Acid And Polysorbate 80, Adam Langlois, Gage T. Mason, Michael H.L. Nguyen, Mehdi Rezapour, Paul Ludovic Karsenti, Drew Marquardt, Simon Rondeau-Gagné

Chemistry and Biochemistry Publications

Copyright © 2019 American Chemical Society. A nanoprecipitation procedure was utilized to prepare novel diketopyrrolopyrrole-based semiconducting polymer nanoparticles (SPNs) with hyaluronic acid (HA) and polysorbate 80. The nanoprecipitation led to the formation of spherical nanoparticles with average diameters ranging from 100 to 200 nm, and a careful control over the structure of the parent conjugated polymers was performed to probe the influence of π-conjugation on the final photophysical and thermal stability of the resulting SPNs. Upon generation of a series of novel SPNs, the optical and photophysical properties of the new nanomaterials were probed in solution using various techniques including …


(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 Dec 2019

(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 …


Dark-Binding Process Relevant To Preventing Photosensitized Oxidation: Conformation-Dependent Light And Dark Mechanisms By A Dual-Functioning Diketone, Sarah J. Belh, Niluksha Walalawela, Stas Lekhtman, Alexander Greer Dec 2019

Dark-Binding Process Relevant To Preventing Photosensitized Oxidation: Conformation-Dependent Light And Dark Mechanisms By A Dual-Functioning Diketone, Sarah J. Belh, Niluksha Walalawela, Stas Lekhtman, Alexander Greer

Publications and Research

Few photosensitizers function in both light and dark processes as they usually have no function when the lights are turned off. We hypothesized that light and dark mechanisms in an α-diketone will be decoupled by dihedral rotation in a conformation- dependent binding process. Successful decoupling of these two functions is now shown. Namely, anti- and syn-skewed conformations of 4,4′-dimethylbenzil promote photosensitized alkoxy radical production, whereas the syn conformation promotes a binding shutoff reaction with trimethyl phosphite. Less rotation of the diketone is better suited to the photosensitizing function since phosphite binding arises through the syn conformer of lower stability. The …


In‐Situ Extraction And Impregnation Of Black Walnut Husk Into Polyethylene Film Using Supercritical Carbon Dioxide With An Ethanol Modifier, Jonathan Wenzel, Veronica R. Moorman, Lihua Wang, Isaiah Spencer-Williams, Mitchell Hall, Cheryl Samaniego, Michelle Ammerman Dec 2019

In‐Situ Extraction And Impregnation Of Black Walnut Husk Into Polyethylene Film Using Supercritical Carbon Dioxide With An Ethanol Modifier, Jonathan Wenzel, Veronica R. Moorman, Lihua Wang, Isaiah Spencer-Williams, Mitchell Hall, Cheryl Samaniego, Michelle Ammerman

Chemistry & Biochemistry Publications

Walnuts are commonly cultivated for their kernel, which is a rich source of antioxidant phenolic compounds. The husk likewise contains antioxidant and antimicrobial compounds, but is typically discarded without further processing. Antioxidant compounds are useful in creating active packaging films, but typically decompose at melt extrusion temperatures in polymer processing. Due to carbon dioxide's low critical point and ability to swell polymer films, supercritical carbon dioxide may be used to impregnate phenolic compounds into polymers. For this study, a novel technique is used to simultaneously produce walnut husk extracts and impregnate the extract into polymer films in the same batch …


Low Temperature Liquid Metal Batteries For Energy Storage Applications, Cameron A. Lippert, Kunlei Liu, James Landon, Susan A. Odom, Nicolas E. Holubowitch Dec 2019

Low Temperature Liquid Metal Batteries For Energy Storage Applications, Cameron A. Lippert, Kunlei Liu, James Landon, Susan A. Odom, Nicolas E. Holubowitch

Center for Applied Energy Research Faculty Patents

The present invention relates to a molten metal battery of liquid bismuth and liquid tin electrodes and a eutectic electrolyte. The electrodes may be coaxial and coplanar. The eutectic electrolyte may be in contact with a surface of each electrode. The eutectic electrolyte may comprise ZnC12:KCI.


Two Algorithms For The Reorganisation Of The Problem List By Organ System, Daniel B. Hier, Joshua Pearson Dec 2019

Two Algorithms For The Reorganisation Of The Problem List By Organ System, Daniel B. Hier, Joshua Pearson

Chemistry Faculty Research & Creative Works

Objective Long Problem Lists Can Be Challenging to Use. Reorganization of the Problem List by Organ System is a Strategy for Making Long Problem Lists More Manageable. Methods in a Small-Town Primary Care Setting, We Examined 4950 Unique Problem Lists over 5 Years (24 033 Total Problems and 2170 Unique Problems) from Our Electronic Health Record. All Problems Were Mapped to the International Classification of Diseases, 10th Revision, Clinical Modification (ICD-10-CM) and SNOMED CT Codes. We Developed Two Different Algorithms for Reorganizing the Problem List by Organ System based on Either the ICD-10-CM or the SNOMED CT Code. Results the …


Design Of Efgr Kinase Domain Inhibitors For The Potential Treatment Of Lung And Other Cancers, Jodie Meng '20 Dec 2019

Design Of Efgr Kinase Domain Inhibitors For The Potential Treatment Of Lung And Other Cancers, Jodie Meng '20

Student Publications & Research

In 2018 alone, over 18 million cancer-related cases were diagnosed and 9.5 million cancer-related deaths occurred worldwide. As a small-molecule drug orally administered for the treatment of lung and pancreatic cancer, erlotinib (Tarceva®) inhibits the phosphorylation of the tyrosine kinase domain in the Epidermal Growth Factor Receptor (EGFR). Inhibition of EGFR reduces the bioactivity of tumor-associated endothelial cells and interferes with signal pathways involved in metastasis and development of angiogenesis. Increase in drug concentration leads to adverse effects, ranging from rash and nausea to gastrointestinal bleeding, perforation, hepatic failure, among others. Therefore, it is desirable to reduce the toxicity and …


C(Sp2)-C(Sp3) Cross-Coupling Of Aryl Halides And Active C(Sp3)-H Bonds Via Dual Catalysis: Organic Photocatalysis/Nickel Redox Catalysis, Nicholas Armada Dec 2019

C(Sp2)-C(Sp3) Cross-Coupling Of Aryl Halides And Active C(Sp3)-H Bonds Via Dual Catalysis: Organic Photocatalysis/Nickel Redox Catalysis, Nicholas Armada

Department of Chemistry: Dissertations, Theses, and Student Research

Convenient catalytic methodologies that can facilitate the formation of C-C bonds are undoubtedly of great interest in synthetic organic chemistry. Recent reports in literature have showcased hybrid catalytic methods that couple Ni-redox catalysis and photocatalysis to enable C-H activation of tetrahydrofuran (THF) and subsequent cross-coupling with aryl halides in appreciable yields and under relatively mild reaction conditions.1-2 However, these studies used expensive, heavy metal-containing photocatalysts and both report difficulty obtaining low-specificity across their scopes of aryl-halides. The following report will shed light on a class of photo-excitable small organic molecules that – in conjunction with a catalytic Ni-redox cycle …


Building Mof Nanocomposites With Oxidized Graphitic Carbon Nitride Nanospheres: The Effect Of Framework Geometry On The Structural Heterogeneity, Dimitrios A. Giannakoudakis, Teresa J. Bandosz Dec 2019

Building Mof Nanocomposites With Oxidized Graphitic Carbon Nitride Nanospheres: The Effect Of Framework Geometry On The Structural Heterogeneity, Dimitrios A. Giannakoudakis, Teresa J. Bandosz

Publications and Research

Composite of two MOFs, copper-based Cu-BTC (HKUST-1) and zirconium-based Zr-BDC (UiO-66), with oxidized graphitic carbon nitride nanospheres were synthesized. For comparison, pure MOFs were also obtained. The surface features were analyzed using x-ray diffraction (XRD), sorption of nitrogen, thermal analysis, and scanning electron microscopy (SEM). The incorporation of oxidized g-C3N4 to the Cu-BTC framework caused the formation of a heterogeneous material of a hierarchical pores structure, but a decreased surface area when compared to that of the parent MOF. In the case of UiO-66, functionalized nanospheres were acting as seeds around which the crystals grew. Even though the MOF phases …


Zirconia-Based Compositions For Use In Passive NoX Adsorber Devices, Deborah Jayne Harris, David Alastair Scapens, John G. Darab, Mark Crocker, Yaying Ji Dec 2019

Zirconia-Based Compositions For Use In Passive NoX Adsorber Devices, Deborah Jayne Harris, David Alastair Scapens, John G. Darab, Mark Crocker, Yaying Ji

Chemistry Faculty Patents

A passive NOx adsorbent includes: palladium, platinum or a mixture thereof and a mixed or composite oxide including the following elements in percentage by weight, expressed in terms of oxide: 10-90% by weight zirconium and 0.1-50% by weight of least one of the following: a transition metal or a lanthanide series element other than Ce.

Although the passive NOx adsorbent can include Ce in an amount ranging from 0.1 to 20% by weight expressed in terms of oxide, advantages are obtained particularly in the case of low-Ce or a substantially Ce-free passive NOx adsorbent.


Oh Chemistry Of Non-Methane Organic Gases (Nmogs) Emitted From Laboratory And Ambient Biomass Burning Smoke: Evaluating The Influence Of Furans And Oxygenated Aromatics On Ozone And Secondary Nmog Formation, Matthew M. Coggon, Christopher Y. Lim, Abigail R. Koss, Kanako Sekimoto, Bin Yuan, Jessica B. Gilman, David H. Hagan, Vanessa Selimovic, Kyle J. Zarzana, Steven S. Brown, James M Roberts, Markus Müller, Robert Yokelson, Armin Wisthaler, Jordan E. Krechmer, Jose L. Jimenez, Christopher Cappa, Jesse H. Kroll, Joost De Gouw, Carsten Warneke Dec 2019

Oh Chemistry Of Non-Methane Organic Gases (Nmogs) Emitted From Laboratory And Ambient Biomass Burning Smoke: Evaluating The Influence Of Furans And Oxygenated Aromatics On Ozone And Secondary Nmog Formation, Matthew M. Coggon, Christopher Y. Lim, Abigail R. Koss, Kanako Sekimoto, Bin Yuan, Jessica B. Gilman, David H. Hagan, Vanessa Selimovic, Kyle J. Zarzana, Steven S. Brown, James M Roberts, Markus Müller, Robert Yokelson, Armin Wisthaler, Jordan E. Krechmer, Jose L. Jimenez, Christopher Cappa, Jesse H. Kroll, Joost De Gouw, Carsten Warneke

Chemistry and Biochemistry Faculty Publications

Chamber oxidation experiments conducted at the Fire Sciences Laboratory in 2016 are evaluated to identify important chemical processes contributing to the hydroxy radical (OH) chemistry of biomass burning non-methane organic gases (NMOGs). Based on the decay of primary carbon measured by proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS), it is confirmed that furans and oxygenated aromatics are among the NMOGs emitted from western United States fuel types with the highest reactivities towards OH. The oxidation processes and formation of secondary NMOG masses measured by PTR-ToF-MS and iodide-clustering time-of-flight chemical ionization mass spectrometry (I-CIMS) is interpreted using a box model employing …


Coordination Of Anions By Noncovalently Bonded Σ-Hole Ligands, Steve Scheiner, Mariusz Michalczyk, Wiktor Zierkiewicz Dec 2019

Coordination Of Anions By Noncovalently Bonded Σ-Hole Ligands, Steve Scheiner, Mariusz Michalczyk, Wiktor Zierkiewicz

Chemistry and Biochemistry Faculty Publications

Research on σ-hole interactions that include halogen, chalcogen, pnicogen, and tetrel bonding has been accelerating in recent years. These cousins of the H-bond have many similar properties, including geometric preferences and energetics. Most of the work to date has focused on neutral complexes, with less known about these bonds to anions. This review summarizes the current state of knowledge about the complexes of anions with ligands that engage in these sorts of noncovalent bonds. Of particular interest are comparisons with H-bonds, and how the geometry of the fully coordinated complex varies as the number of surrounding ligands increases. A specific …


Nanopatterned Silk Fibroin Films With High Transparency And High Haze For Optical Applications, Corey Malinowski, Fengjie He, Yihong Zhao, Ivan Chang, David W. Hatchett, Shengjie Zhai, Hui Zhao Dec 2019

Nanopatterned Silk Fibroin Films With High Transparency And High Haze For Optical Applications, Corey Malinowski, Fengjie He, Yihong Zhao, Ivan Chang, David W. Hatchett, Shengjie Zhai, Hui Zhao

Chemistry and Biochemistry Faculty Research

Simultaneous high transparency and high haze are necessary for high-efficiency optical, photonic, and optoelectronic applications. However, a typical highly transparent film lacks high optical haze or vice versa. Here, we report a silk fibroin-based optical film that exhibits both ultrahigh optical transparency... (See article for full abstract).


Semitransparent Sb2s3 Thin Film Solar Cells By Ultrasonic Spray Pyrolysis For Use In Solar Windows, Jako S. Eensalu, Atanas Katerski, Erki Kärber, Lothar Weinhardt, Monika Blum, Clemens Heske, Wanli Yang, Ilona Oja Acik, Malle Krunks Dec 2019

Semitransparent Sb2s3 Thin Film Solar Cells By Ultrasonic Spray Pyrolysis For Use In Solar Windows, Jako S. Eensalu, Atanas Katerski, Erki Kärber, Lothar Weinhardt, Monika Blum, Clemens Heske, Wanli Yang, Ilona Oja Acik, Malle Krunks

Chemistry and Biochemistry Faculty Research

The integration of photovoltaic (PV) solar energy in zero-energy buildings requires durable and efficient solar windows composed of lightweight and semitransparent thin film solar cells. Inorganic materials with a high optical absorption coefficient, such as Sb2S3 (>105 cm−1 at 450 nm), offer semitransparency, appreciable efficiency, and long-term durability at low cost. Oxide-free throughout the Sb2S3 layer thickness, as confirmed by combined studies of energy dispersive X-ray spectroscopy and synchrotron soft X-ray emission spectroscopy, semitransparent Sb2S3 thin films can be rapidly grown in air by the area-scalable ultrasonic spray pyrolysis method. Integrated into a ITO/TiO2/Sb2S3/P3HT/Au solar cell, a power conversion …


Composition Effect On The Carrier Dynamics And Catalytic Performance Of Cuins2/Zns Quantum Dots For Light Driven Hydrogen Generation, Wenhui Hu, Sizhuo Yang, Jier Huang Dec 2019

Composition Effect On The Carrier Dynamics And Catalytic Performance Of Cuins2/Zns Quantum Dots For Light Driven Hydrogen Generation, Wenhui Hu, Sizhuo Yang, Jier Huang

Chemistry Faculty Research and Publications

Water soluble CuInS2/ZnS quantum dots (QDs) represent one of the most promising single component photocatalysts for the hydrogen evolution reaction (HER). In this work, we report the effect of cation composition in CuInS2/ZnS QDs on the carrier relaxation and charge separation dynamics as well as their photocatalytic performance for the HER. With decreasing Cu to In ratio (increasing Cu deficiency), we observed slightly faster electron trapping and carrier recombination but significantly improved photocatalytic activity for the HER. This can be attributed to the enhanced electron transfer (ET) from the sacrificial donor to CuInS2/ZnS QDs …


Evaluation Of Tumor Necrosis Factor Alpha In Sleep-Deprived Menopausal- Induced Rats And The Impact On Bone Health, Nicole Ellsworth, Dwight Curry Iii, Cj Deleon, Frank Frisch Dec 2019

Evaluation Of Tumor Necrosis Factor Alpha In Sleep-Deprived Menopausal- Induced Rats And The Impact On Bone Health, Nicole Ellsworth, Dwight Curry Iii, Cj Deleon, Frank Frisch

Student Scholar Symposium Abstracts and Posters

Post-menopausal osteoporosis as a consequence of estrogen depletion is a growing concern for women in the United States. As more women take on executive positions and experience sleep deprivation, there is the potential for up regulation of pro-inflammatory cytokines, such as tumor necrosis factor alpha. It follows that the homeostatic imbalance of osteoclastic and osteoblastic activity leads to a greater risk of disease. Bisphosphonates generally, and Zolendronate specifically works by decreasing the number of osteoclasts. This current study investigated the impact of Zolendronate on the concentrations of tumor necrosis factor alpha-type (TNFɑ) in 32 ovariectomized Wistar rats. Throughout a five …


Spectroscopic And Computational Comparisons Of Thiolate-Ligated Ferric Nonheme Complexes To Cysteine Dioxygenase: Second-Sphere Effects On Substrate (Analogue) Positioning, Anne A. Fischer, Joshua R. Miller, Richard J. Jodts, Danushka M. Ekanayake, Sergey V. Lindeman, Thomas C. Brunold, Adam T. Fiedler Dec 2019

Spectroscopic And Computational Comparisons Of Thiolate-Ligated Ferric Nonheme Complexes To Cysteine Dioxygenase: Second-Sphere Effects On Substrate (Analogue) Positioning, Anne A. Fischer, Joshua R. Miller, Richard J. Jodts, Danushka M. Ekanayake, Sergey V. Lindeman, Thomas C. Brunold, Adam T. Fiedler

Chemistry Faculty Research and Publications

Parallel spectroscopic and computational studies of iron(III) cysteine dioxygenase (CDO) and synthetic models are presented. The synthetic complexes utilize the ligand tris(4,5-diphenyl-1-methylimidazol-2-yl)phosphine (Ph2TIP), which mimics the facial three-histidine triad of CDO and other thiol dioxygenases. In addition to the previously reported [FeII(CysOEt)(Ph2TIP)]BPh4 (1; CysOEt is the ethyl ester of anionic l-cysteine), the formation and crystallographic characterization of [FeII(2-MTS)(Ph2TIP)]BPh4 (2) is reported, where the methyl 2-thiosalicylate anion (2-MTS) resembles the substrate of 3-mercaptopropionate dioxygenase (MDO). One-electron chemical oxidation of 1 and 2 yields ferric species …


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 Dec 2019

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 …


Ribbon Α-Conotoxin Ktm Exhibits Potent Inhibition Of Nicotinic Acetylcholine Receptors, Leanna A. Marquart, Matthew W. Turner, Lisa R. Warner, Matthew D. King, James R. Groome, Owen M. Mcdougal Dec 2019

Ribbon Α-Conotoxin Ktm Exhibits Potent Inhibition Of Nicotinic Acetylcholine Receptors, Leanna A. Marquart, Matthew W. Turner, Lisa R. Warner, Matthew D. King, James R. Groome, Owen M. Mcdougal

Chemistry and Biochemistry Faculty Publications and Presentations

KTM is a 16 amino acid peptide with the sequence WCCSYPGCYWSSSKWC. Here, we present the nuclear magnetic resonance (NMR) structure and bioactivity of this rationally designed α-conotoxin (α-CTx) that demonstrates potent inhibition of rat α3β2-nicotinic acetylcholine receptors (rα3β2-nAChRs). Two bioassays were used to test the efficacy of KTM. First, a qualitative PC12 cell-based assay confirmed that KTM acts as a nAChR antagonist. Second, bioactivity evaluation by two-electrode voltage clamp electrophysiology was used to measure the inhibition of rα3β2-nAChRs by KTM (IC50 = 0.19 ± 0.02 nM), and inhibition of the same nAChR isoform by α-CTx MII (IC50 = …


Qualitative Assay To Detect Dopamine Release By Ligand Action On Nicotinic Acetylcholine Receptors, Leanna A. Marquart, Matthew W. Turner, Owen M. Mcdougal Dec 2019

Qualitative Assay To Detect Dopamine Release By Ligand Action On Nicotinic Acetylcholine Receptors, Leanna A. Marquart, Matthew W. Turner, Owen M. Mcdougal

Chemistry and Biochemistry Faculty Publications and Presentations

A pheochromocytoma of the rat adrenal medulla derived (a.k.a. PC12) cell-based assay for dopamine measurement by luminescence detection was customized for the qualitative evaluation of agonists and antagonists of nicotinic acetylcholine receptors (nAChRs). The assay mechanism begins with ligand binding to transmembrane nAChRs, altering ion flow into the cell and inducing dopamine release from the cell. Following release, dopamine is oxidized by monoamine oxidase generating hydrogen peroxide that catalyzes a chemiluminescence reaction involving luminol and horseradish peroxidase, thus producing a detectable response. Results are presented for the action of nAChR agonists (acetylcholine, nicotine, and cytisine), and antagonists (α-conotoxins (α-CTxs) MII, …


Cuinse₂ Nanotube Arrays For Efficient Solar Energy Conversion, Wipula Priya Liyanage, Manashi Nath Dec 2019

Cuinse₂ Nanotube Arrays For Efficient Solar Energy Conversion, Wipula Priya Liyanage, Manashi Nath

Chemistry Faculty Research & Creative Works

Highly uniform and vertically aligned p-type CuInSe2 (CISe) nanotube arrays were fabricated through a unique protocol, incorporating confined electrodeposition on lithographically patterned nanoelectrodes. This protocol can be readily adapted to fabricate nanotube arrays of other photoabsorber and functional materials with precisely controllable design parameters. Ternary CISe nanotube arrays were electrodeposited congruently from a single electrolytic bath and the resulting nanotube arrays were studied through powder X-ray diffraction as well as elemental analysis which revealed compositional purity. Detailed photoelectrochemical (PEC) characterizations in a liquid junction cell were also carried out to investigate the photoconversion efficiency. It was observed that the …


Isotopic Characterization Of Nitrogen Oxides (NoX), Nitrous Acid (Hono), And Nitrate (PNo3-) From Laboratory Biomass Burning During Firex, Jiajue Chai, David J. Miller, Eric Scheuer, Jack Dibb, Vanessa Selimovic, Robert Yokelson, Kyle K. Zarzana, Steven Brown, Abigail R. Koss, Carsten Warneke, Meredith Hastings Nov 2019

Isotopic Characterization Of Nitrogen Oxides (NoX), Nitrous Acid (Hono), And Nitrate (PNo3-) From Laboratory Biomass Burning During Firex, Jiajue Chai, David J. Miller, Eric Scheuer, Jack Dibb, Vanessa Selimovic, Robert Yokelson, Kyle K. Zarzana, Steven Brown, Abigail R. Koss, Carsten Warneke, Meredith Hastings

Chemistry and Biochemistry Faculty Publications

New techniques have recently been developed and applied to capture reactive nitrogen species, including nitrogen oxides (NOx D NOCNO2), nitrous acid (HONO), nitric acid (HNO3), and particulate nitrate (pNO3 ), for accurate measurement of their isotopic composition. Here, we report – for the first time – the isotopic composition of HONO from biomass burning (BB) emissions collected during the Fire Influence on Regional to Global Environments Experiment (FIREX, later evolved into FIREX-AQ) at the Missoula Fire Science Laboratory in the fall of 2016. We used our newly developed annular denuder system (ADS), which was verified to completely capture HONO associated …


Gaseous, Pm2.5 Mass, And Speciated Emission Factors From Laboratory Chamber Peat Combustion, John G. Watson, Junji Cao, Lung-Wen Antony Chen, Qiyuan Wang, Jie Tian, Xiaoliang Wang, Steven Gronstal, Steven Sai Hang Ho, Adam C. Watts, Judith C. Chow Nov 2019

Gaseous, Pm2.5 Mass, And Speciated Emission Factors From Laboratory Chamber Peat Combustion, John G. Watson, Junji Cao, Lung-Wen Antony Chen, Qiyuan Wang, Jie Tian, Xiaoliang Wang, Steven Gronstal, Steven Sai Hang Ho, Adam C. Watts, Judith C. Chow

Public Health Faculty Publications

Peat fuels representing four biomes of boreal (western Russia and Siberia), temperate (northern Alaska, USA), subtropical (northern and southern Florida, USA), and tropical (Borneo, Malaysia) regions were burned in a laboratory chamber to determine gas and particle emission factors (EFs). Tests with 25 % fuel moisture were conducted with predominant smoldering combustion conditions (average modified combustion efficiency (MCE) =0.82+/-0.08). Average fuel-based EFCO2 (carbon dioxide) are highest (1400 +/- 38 g kg(-1)) and lowest (1073 +/- 63 g kg(-1)) for the Alaskan and Russian peats, respectively. EFCO (carbon monoxide) and EFCH4 (methane) are similar to 12 %15 % and similar to …


Conformational Polymorphism In Organic Crystals: Structural And Functional Aspects - A Review, Bidisha Sengupta, Pradeep K. Sengupta, Romans Grant1, Matthew Beasley1, Benjamin Mason1, Tanesha Love1, Larissa Barroso9, Mariela Alvarado9, M S. Zaman Nov 2019

Conformational Polymorphism In Organic Crystals: Structural And Functional Aspects - A Review, Bidisha Sengupta, Pradeep K. Sengupta, Romans Grant1, Matthew Beasley1, Benjamin Mason1, Tanesha Love1, Larissa Barroso9, Mariela Alvarado9, M S. Zaman

Faculty Publications

Polymorphism in organic crystals involves the formation of isomeric molecular identities. It is dependent on the structural arrangement due to inter-atomic interactions, as well as external stimuli, which include temperature, visible and UV radiation. Conformational polymorphism of organic crystalline molecules is often the result of isomerism due to the twisting and turning of angular bonds. The arrangement of the atoms supports different types of bonding mechanisms (which include hydrogen bonding) within the same compound. This, in turn, results in the formation of cis/trans configurational isomers or a proton transfer species (tautomer), having different functional properties. The conformers support the flexibility …


Facile One-Pot Synthesis Of Nico₂Se₄-Rgo On Ni Foam For High Performance Hybrid Supercapacitors, Bahareh Golrokh Amin, Jahangir Masud, Manashi Nath Nov 2019

Facile One-Pot Synthesis Of Nico₂Se₄-Rgo On Ni Foam For High Performance Hybrid Supercapacitors, Bahareh Golrokh Amin, Jahangir Masud, Manashi Nath

Chemistry Faculty Research & Creative Works

A facile, innovative synthesis for the fabrication of NiCo2Se4-rGO on a Ni foam nanocomposite via a simple hydrothermal reaction is proposed. The as-prepared NiCo2Se4-rGO@Ni foam electrode was tested through pxrd, TEM, SEM, and EDS to characterize the morphology and the purity of the material. The bimetallic electrode exhibited outstanding electrochemical performance with a high specific capacitance of 2038.55 F g-1 at 1 A g-1. NiCo2Se4-rGO@Ni foam exhibits an extensive cycling stability after 1000 cycles by retaining 90% of its initial capacity. A superior energy density …


Covalently Functionalized Sawdust For The Remediation Of Phosphate From Agricultural Wastewater, Daniel Meister, David Ure, Angela Awada, Jean-Claude Barrette, Joel Gagnon, Bluent Mutus, John F. Trant Nov 2019

Covalently Functionalized Sawdust For The Remediation Of Phosphate From Agricultural Wastewater, Daniel Meister, David Ure, Angela Awada, Jean-Claude Barrette, Joel Gagnon, Bluent Mutus, John F. Trant

Chemistry and Biochemistry Publications

Phosphate remediation from wastewater is rapidly becoming an ever more attractive process due to a combination of both the economic pressure of increasing phosphate scarcity and the environmental damage caused by untreated agricultural runoff. Ideally, remediated phosphate will be recoverable and would be able to be reused as fertilizer. Many different resins have been investigated, but due to the scale of the challenge, any feasible solution will involve the use of very inexpensive waste products as the solid support. Sawdust, functionalized with iron-binding ligands, is such a potential resin. Sawdust alone binds 0.3 g/kg of phosphate which is insufficient. Iron …


Salty Sensors, Fresh Ideas: The Use Of Molecular And Imaging Sensors In Understanding Plankton Dynamics Across Marine And Freshwater Ecosystems, Trisha Lyn Spanbauer, Christian Briseno-Avena, Kathleen Johnson Pitz, Elizabeth A. Suter Nov 2019

Salty Sensors, Fresh Ideas: The Use Of Molecular And Imaging Sensors In Understanding Plankton Dynamics Across Marine And Freshwater Ecosystems, Trisha Lyn Spanbauer, Christian Briseno-Avena, Kathleen Johnson Pitz, Elizabeth A. Suter

Faculty Works: Biology, Chemistry, and Environmental Studies

Understanding plankton dynamics in marine ecosystems has been advanced using in situ molecular and imaging instrumentation. A range of research objectives have been addressed through high‐resolution autonomous sampling, from food web characterization to harmful algal bloom dynamics. When used together, molecular and imaging sensors can cover the full‐size range, genetic identity, and life stages of plankton. Here, we briefly review a selection of in situ instrumentation developed for the collection of molecular and imaging information on plankton communities in marine ecosystems. In addition, we interviewed a selection of instrumentation developers to determine if the transfer of sensor technology from marine …


An Updated Review Of Atmospheric Mercury, Seth N. Lyman, Irene Cheng, Lynne E. Gratz, Peter Weiss-Penzias, Leiming Zhang Nov 2019

An Updated Review Of Atmospheric Mercury, Seth N. Lyman, Irene Cheng, Lynne E. Gratz, Peter Weiss-Penzias, Leiming Zhang

Chemistry and Biochemistry Faculty Publications

The atmosphere is a key component of the biogeochemical cycle of mercury, acting as a reservoir, transport mechanism, and facilitator of chemical reactions. The chemical and physical behavior of atmospheric mercury determines how, when, and where emitted mercury pollution impacts ecosystems. In this review, we provide current information about what is known and what remains uncertain regarding mercury in the atmosphere. We discuss new ambient, laboratory, and theoretical information about the chemistry of mercury in various atmospheric media. We review what is known about mercury in and on solid- and liquid-phase aerosols. We present recent findings related to wet and …


Novel Silica Filled Deep Eutectic Solvent Based Nanofluids For Energy Transportation, Changhui Liu, Hui Fang, Xinjian Liu, Ben Xu, Zhonghao Rao Nov 2019

Novel Silica Filled Deep Eutectic Solvent Based Nanofluids For Energy Transportation, Changhui Liu, Hui Fang, Xinjian Liu, Ben Xu, Zhonghao Rao

Chemistry Faculty Publications and Presentations

Liquid range of nanofluids is a crucial parameter as it intensively determines their application temperature scope. Meanwhile, improved thermal conductivity and stability are of great significances and comprise the main fundamental research topics of nanofluids. In this work, 2- butoxy-3,4-dihydropyran (DP), produced from a convenient one-pot three-component reaction in water, was employed as dual lipophilic brusher and metal nanoparticle anchor. It was found that DP was able to enhance the dispersing ability and thermal conductivity of SiO2 nanoparticle filled deep eutectic solvent (DES) based nanofluids simultaneously. The key to the success of this protocol mainly relies on the electrophilic property …


Development Of Fertilizer Coatings From Polyglyoxylate-Polyester Blends Responsive To Root-Driven Ph Change., Spencer M Heuchan, Bo Fan, Jessica J Kowalski, Elizabeth R Gillies, Hugh A L Henry Nov 2019

Development Of Fertilizer Coatings From Polyglyoxylate-Polyester Blends Responsive To Root-Driven Ph Change., Spencer M Heuchan, Bo Fan, Jessica J Kowalski, Elizabeth R Gillies, Hugh A L Henry

Chemistry Publications

Many current controlled-release fertilizers (CRFs) are coated with nonbiodegradable polymers that can contribute to microplastic pollution. Here, coatings of self-immolative poly(ethyl glyoxylate) (PEtG) capped with a carbamate and blended with polycaprolactone (PCL) or poly(l-lactic acid) (PLA) were evaluated. They were designed to depolymerize and release fertilizers in the vicinity of plant roots, where the pH is lower than that in the surrounding environment. PEtG/PCL coatings exhibited significant temperature and pH effects, requiring 18 days at pH 5 and 30 °C, compared to 77 days at pH 7 and 22 °C, to reach 15% mass loss. Plant roots were also effective …