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Chemistry & Biochemistry Faculty Publications

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Articles 61 - 90 of 339

Full-Text Articles in Chemistry

Potentially Massive And Global Non-Pyrogenic Production Of Condensed "Black" Carbon Through Biomass Oxidation, Aleksandar I. Goranov, Hongmei Chen, Jianshu Duan, Satish C. B. Myneni, Patrick G. Hatcher Jan 2024

Potentially Massive And Global Non-Pyrogenic Production Of Condensed "Black" Carbon Through Biomass Oxidation, Aleksandar I. Goranov, Hongmei Chen, Jianshu Duan, Satish C. B. Myneni, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

With the increased occurrences of wildfires worldwide, there has been an increase in scientific interest surrounding the chemistry of fire-derived "black" carbon (BC). Traditionally, wildfire research has assumed that condensed aromatic carbon (ConAC) is exclusively produced via combustion, and thus, ConAC is equated to BC. However, the lack of correlations between ConAC in soils or rivers and wildfire history suggests that ConAC may be produced non-pyrogenically. Here, we show quantitative evidence that this occurs during the oxidation of biomass with environmentally ubiquitous hydroxyl radicals. Pine wood boards exposed to iron nails and natural weather conditions for 12 years yielded a …


Synthetic Approaches Of Carbohydrate Based Self-Assembling Systems, Guijun Wang, Anji Chen, Pramod Aryal, Jonathan Bietsch Jan 2024

Synthetic Approaches Of Carbohydrate Based Self-Assembling Systems, Guijun Wang, Anji Chen, Pramod Aryal, Jonathan Bietsch

Chemistry & Biochemistry Faculty Publications

Carbohydrate-based self-assembling systems are essential for the formation of advanced biocompatible materials via a bottom-up approach. The self-assembling of sugar-based small molecules has applications encompassing many research fields and has been studied extensively. In this focused review, we will discuss the synthetic approaches for carbohydrate-based self-assembling (SA) systems, the mechanisms of the assembly, as well as the main properties and applications. This review will mainly cover recent publications in the last four years from January 2020 to December 2023. We will essentially focus on small molecule self-assembly, excluding polymer-based systems, which include various derivatives of monosaccharides, disaccharides, and oligosaccharides. Glycolipids, …


Assessing The Spatiotemporal Variability Of Dissolved Organic Matter Fluorescence Composition In The Lake George, Ny Watershed, Aleksandar I. Goranov, Mark W. Swinton, David A. Winkler, Jeremy L. Farrell, Sandra A. Nierzwicki-Bauer, Sasha Wagner Jan 2024

Assessing The Spatiotemporal Variability Of Dissolved Organic Matter Fluorescence Composition In The Lake George, Ny Watershed, Aleksandar I. Goranov, Mark W. Swinton, David A. Winkler, Jeremy L. Farrell, Sandra A. Nierzwicki-Bauer, Sasha Wagner

Chemistry & Biochemistry Faculty Publications

Lake George (LG) is a temperate, oligotrophic, medium-sized lake (114 km2) located in northeastern New York State (U.S.). Lakes are highly understudied environments where extensive dissolved organic matter (DOM) processing occurs. With this study we establish the foundation for researching the organic biogeochemistry of the LG watershed, in particular, the numerous tributaries flowing into the lake. Collected were 213 samples from 64 tributaries and 12 lake locations. Some of the tributaries had unique wastewater, agricultural, or wetland influences. We employed fluorescence spectroscopy, a common biogeochemical technique, to characterize the fluorescent DOM (FDOM) component. We developed a parallel factor …


Photoluminescence Switching In Quantum Dots Connected With Carboxylic Acid And Thiocarboxylic Acid End-Group Diarylethene Molecules, Ephraiem S. Sarabamoun, Pramod Aryal, Jonathan M. Bietsch, Maurice Curran, Sugandha Verma, Grayson Johnson, Lucy U. Yoon, Amelia G. Reid, Esther H. R. Tsai, Charles W. Machan, Christopher Paolucci, Guijun Wang, Joshua J. Choi Jan 2024

Photoluminescence Switching In Quantum Dots Connected With Carboxylic Acid And Thiocarboxylic Acid End-Group Diarylethene Molecules, Ephraiem S. Sarabamoun, Pramod Aryal, Jonathan M. Bietsch, Maurice Curran, Sugandha Verma, Grayson Johnson, Lucy U. Yoon, Amelia G. Reid, Esther H. R. Tsai, Charles W. Machan, Christopher Paolucci, Guijun Wang, Joshua J. Choi

Chemistry & Biochemistry Faculty Publications

We contrast the switching of photoluminescence (PL) of PbS quantum dots (QDs) cross-linked with photochromic diarylethene molecules with different end groups, 4,4′-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (1C) and 4,4′-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenethiocarboxylic acid] (2T). Our results show that the QDs cross-linked with the carboxylic acid end group molecules (1C) exhibit a greater amount of switching in photoluminescence intensity compared to QDs cross-linked with the thiocarboxylic acid end group (2T). We also demonstrate that regardless of the molecule used, greater switching amounts are observed for smaller quantum dots. Varying these parameters allows for the fabrication of photoswitches with tunable PL change. We relate these observations to the …


Polarizable Amoeba Force Field Predicts Thin And Dense Hydration Layer Around Monosaccharides, Luke A. Newman, Mackenzie G. Patton, Breyanna A. Rodriguez, Ethan W. Summer, Valerie Vaissier Welbourn Jan 2024

Polarizable Amoeba Force Field Predicts Thin And Dense Hydration Layer Around Monosaccharides, Luke A. Newman, Mackenzie G. Patton, Breyanna A. Rodriguez, Ethan W. Summer, Valerie Vaissier Welbourn

Chemistry & Biochemistry Faculty Publications

Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters yield a thinner, but denser, hydration layer than that previously reported. This denser hydration layer results in eliminating non-physical aggregation of glucose in water-an issue that has plagued molecular dynamics simulations of carbohydrates for decades.


B(C₆F₅)₃ Co-Catalyst Promotes Unconventional Halide Abstraction From Grubbs I To Enhance Reactivity And Limit Decomposition, Austin W. Medley, Diya Patel, Calvin Utne, Trandon A. Bender Jan 2024

B(C₆F₅)₃ Co-Catalyst Promotes Unconventional Halide Abstraction From Grubbs I To Enhance Reactivity And Limit Decomposition, Austin W. Medley, Diya Patel, Calvin Utne, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Ruthenium based Grubbs metathesis has become a commonplace reaction for synthetic chemists. Development of new generations of catalysts evolving from Grubbs I (GI) have led to greater stability, functional group compatibility, and superior reactivities. However, these advancements lead to increased costs. To this end, we report here how the addition of the commercially available tris(pentafluorophenyl)borane Lewis acid, which has become a common place catalyst in its own right, leads to enhanced reactivity of GI. Moreover, the increased reactivity arises via halide abstraction rather than traditional phosphine dissociation, providing ring-opening metathesis polymerization products that are divergent from those synthesized without the …


Toxicity Of Crude Oil-Derived Polar Unresolved Complex Mixtures To Pacific Herring Embryos: Insights Beyond Polycyclic Aromatic Hydrocarbons, Maxwell L. Harsha, Yanila Salas-Ortiz, Alysha D. Cypher, Ed Osborn, Eduardo Turcios Valle, Jacob L. Gregg, Paul K. Hershberger, Yuri Kurerov, Sarah King, Aleksandar I. Goranov, Patrick G. Hatcher, Anastasia Konefal, T. Erin Cox, Justin B. Greer, James P. Meador, Matthew A. Tarr, Patrick L. Tomco, David C. Podgorski Jan 2024

Toxicity Of Crude Oil-Derived Polar Unresolved Complex Mixtures To Pacific Herring Embryos: Insights Beyond Polycyclic Aromatic Hydrocarbons, Maxwell L. Harsha, Yanila Salas-Ortiz, Alysha D. Cypher, Ed Osborn, Eduardo Turcios Valle, Jacob L. Gregg, Paul K. Hershberger, Yuri Kurerov, Sarah King, Aleksandar I. Goranov, Patrick G. Hatcher, Anastasia Konefal, T. Erin Cox, Justin B. Greer, James P. Meador, Matthew A. Tarr, Patrick L. Tomco, David C. Podgorski

Chemistry & Biochemistry Faculty Publications

Crude oil toxicity to early life stage fish is commonly attributed to polycyclic aromatic hydrocarbons (PAHs). However, it remains unclear how the polar unresolved complex mixture (UCM), which constitutes the bulk of the water-soluble fraction of crude oil, contributes to crude oil toxicity. Additionally, the role of photomodification-induced toxicity in relation to the polar UCM is not well understood. This study addresses these knowledge gaps by assessing the toxicity of two laboratory generated polar UCMs from Cook Inlet crude oil, representing the readily water-soluble fraction of crude oil and photoproduced hydrocarbon oxidation products (HOPs), to Pacific herring (Clupea pallasii …


The Impact Of Biochar's Physicochemical Properties On Sorption Of Perfluorooctanoic Acid (Pfoa), Karen Ane Skjennum, Katinka M. Krahn, Erlend Sørmo, Raoul Wolf, Aleksandar I. Goranov, Patrick G. Hatcher, Thomas Hartnik, Hans Peter H. Arp, Andrew R. Zimmerman, Yaxin Zhang, Gerard Cornelissen Jan 2024

The Impact Of Biochar's Physicochemical Properties On Sorption Of Perfluorooctanoic Acid (Pfoa), Karen Ane Skjennum, Katinka M. Krahn, Erlend Sørmo, Raoul Wolf, Aleksandar I. Goranov, Patrick G. Hatcher, Thomas Hartnik, Hans Peter H. Arp, Andrew R. Zimmerman, Yaxin Zhang, Gerard Cornelissen

Chemistry & Biochemistry Faculty Publications

To better characterize properties governing the sorption of per- and polyfluoroalkyl substances (PFAS) to biochar, twenty-three diverse biochars were characterized and evaluated as sorbents for perfluorooctanoic acid (PFOA). Biochars were produced at various temperatures, using two different technologies, and made from sewage sludge, food waste reject, wood wastes, and one reference substrate (wood pellets). The biochars were characterized in terms of surface area, pore volume and pore size distributions, elemental composition, leachable elements, ash content, pH, zeta potential, condensed aromatic carbon (ConAC) content (determined by benzenepolycarboxylic acid (BPCA) markers), and their -OH functional group content (infrared spectroscopy). PFOA sorption isotherms …


Antarctic Polar Stratospheric Cloud Analysis Of Ace-Fts Data From 2005 To 2023, M. Lecours, C. D. Boone, P. F. Bernath Jan 2024

Antarctic Polar Stratospheric Cloud Analysis Of Ace-Fts Data From 2005 To 2023, M. Lecours, C. D. Boone, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present an analysis of Antarctic polar winters from 2005 to 2023 as observed by the Atmospheric Chemistry Experiment (ACE). The unique broad band infrared spectral features in ACE “residual” spectra are used to classify the spectra of polar aerosols by composition into polar stratospheric clouds (PSCs) and sulfate aerosols. The spectra of PSCs are further classified into nitric acid trihydrate, supercooled ternary solutions, supercooled nitric acid, ice-mix, and mixtures of PSCs. A breakdown of PSC composition is presented for each year. Antarctic winter seasons with unusual compositions are: 2011, in which volcanic ash mixed with PSCs was observed from …


Cumulative Distribution Function And Spatially Resolved Surface-Enhanced Raman Spectroscopy For The Quantitative Analysis Of Emtricitabine, Jana Hrncirova, Marguerite R. Butler, Sucharita Dutta, Meredith R. Clark, John B. Cooper Jan 2024

Cumulative Distribution Function And Spatially Resolved Surface-Enhanced Raman Spectroscopy For The Quantitative Analysis Of Emtricitabine, Jana Hrncirova, Marguerite R. Butler, Sucharita Dutta, Meredith R. Clark, John B. Cooper

Chemistry & Biochemistry Faculty Publications

Surface-enhanced Raman spectroscopy (SERS) has exceptional analytical sensitivity and selectivity. However, SERS irreproducibility presents an obstacle when using it for precise quantitative measurements. In this study, colloidal nanoparticles evaporated to dryness are used as a SERS active surface for the detection of the HIV drug emtricitabine (FTC; trade name Emtriva). Despite the irreproducibility of the SERS resulting from the stochastic process of evaporation, using a SERS scanning instrument, the SERS enhancement factors of spatially resolved spectra have a well-defined distribution of signals for a given analyte concentration. This distribution follows a power law function ranging from weak (very abundant signals) …


Role Of Nitrogenous Functional Group Identity In Accelerating 1,2,3- Trichloropropane Degradation By Pyrogenic Carbonaceous Matter (Pcm) And Sulfide Using Pcm-Like Polymers, Han Cao, Jingdong Mao, Paul G. Tratnyek, Wenqing Xu Jan 2024

Role Of Nitrogenous Functional Group Identity In Accelerating 1,2,3- Trichloropropane Degradation By Pyrogenic Carbonaceous Matter (Pcm) And Sulfide Using Pcm-Like Polymers, Han Cao, Jingdong Mao, Paul G. Tratnyek, Wenqing Xu

Chemistry & Biochemistry Faculty Publications

Groundwater contamination by 1,2,3-trichloropropane (TCP) poses a unique challenge due to its human toxicity and recalcitrance to degradation. Previous work suggests that nitrogenous functional groups of pyrogenic carbonaceous matter (PCM), such as biochar, are important in accelerating contaminant dechlorination by sulfide. However, the reaction mechanism is unclear due, in part, to PCM's structural complexity. Herein, PCM-like polymers (PLPs) with controlled placement of nitrogenous functional groups [i.e., quaternary ammonium (QA), pyridine, and pyridinium cations (py+)] were employed as model systems to investigate PCM-enhanced TCP degradation by sulfide. Our results suggest that both PLP-QA and PLP-py+ were highly effective …


Evaluating The Influence Of Trypanosomiasis On Murine Model Using Corchorus Olitorius Leaf Extract As A Trypanocidal Agent, Fatima M. Madaki, Adamu Y. Kabiru, Ogunrombi D. Clinton, Sakariyau A. Waheed, Yunusa O. Ibrahim Jan 2024

Evaluating The Influence Of Trypanosomiasis On Murine Model Using Corchorus Olitorius Leaf Extract As A Trypanocidal Agent, Fatima M. Madaki, Adamu Y. Kabiru, Ogunrombi D. Clinton, Sakariyau A. Waheed, Yunusa O. Ibrahim

Chemistry & Biochemistry Faculty Publications

Trypanosomiasis, a parasitic disease caused by trypanosomes, which are flagellate protozoa transmitted through the bite of the tsetse fly, manifests with symptoms including substantial weight loss, anemia, fever, edema, adenitis, dermatitis, and nervous disorders. This research investigated the impact of trypanosomiasis on a murine model while utilizing Corchorus olitorius leaf extract as a potential trypanocidal agent. An acute toxicity analysis was conducted following Lorke's method, and the antitrypanosomal efficacy was assessed in rats at doses of 100, 200, and 400 mg/kg over three weeks, monitoring changes in parasitemia count, body weight, and hematological parameters. Additionally, lipid profile, electrolyte concentration, and …


Type-B Energetic Processes: Their Identification And Implications, James Weifu Lee Jan 2024

Type-B Energetic Processes: Their Identification And Implications, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

We have now identified two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type-A energy processes, such as classical heat engines, apparently well follow the second law of thermodynamics; Type-B energy processes, such as the newly discovered thermotrophic function that isothermally utilizes environmental heat energy to perform useful work in driving ATP synthesis, follow the first law of thermodynamics (conservation of mass and energy) but do not have to be constrained by the second law, owing to their special asymmetric functions. Several Type-B energy processes such as asymmetric function-gated isothermal electricity production and epicatalysis have …


Examining The Effectiveness Of Oiled Ballast Water Treatment Processes: Insights Into Hydrocarbon Oxidation Product Formation And Environmental Implications, Maxwell L. Harsha, Danielle E. Verna, Yanila Salas-Ortiz, Eduardo Osborn, Eduardo Turcios Valle, Aleksandar I. Goranov, Patrick G. Hatcher, Ana M. Aguilar-Islas, Patrick L. Tomco, David C. Podgorski Jan 2024

Examining The Effectiveness Of Oiled Ballast Water Treatment Processes: Insights Into Hydrocarbon Oxidation Product Formation And Environmental Implications, Maxwell L. Harsha, Danielle E. Verna, Yanila Salas-Ortiz, Eduardo Osborn, Eduardo Turcios Valle, Aleksandar I. Goranov, Patrick G. Hatcher, Ana M. Aguilar-Islas, Patrick L. Tomco, David C. Podgorski

Chemistry & Biochemistry Faculty Publications

Ballast water released from ships into coastal environments has been identified as a mechanism that introduces contaminants of concern into coastal ecosystems. This study investigates the treatment processes employed at a ballast water treatment facility in Valdez, Alaska, that remove hydrocarbons from unsegregated ballast water. Specifically, the aim is to quantify and characterize hydrocarbons of emerging concern, known as dissolved hydrocarbon oxidation products (HOPs) and heavy metals (HMs), throughout the treatment process. Specialized analytical techniques were employed, such as non-volatile dissolved organic carbon analysis, fluorescence spectroscopy, Fourier transform-ion cyclotron resonance-mass spectrometry, and inductively coupled plasma triple quadrupole mass spectrometry. Results …


Advancements In The Synthesis Of Polyoxygenated Oxepanes And Thiepanes For Applications To Natural Products, Aditya R. Pote, Shayne M. Weierbach, Mark W. Peczuh, Kyle M. Lambert Jan 2024

Advancements In The Synthesis Of Polyoxygenated Oxepanes And Thiepanes For Applications To Natural Products, Aditya R. Pote, Shayne M. Weierbach, Mark W. Peczuh, Kyle M. Lambert

Chemistry & Biochemistry Faculty Publications

Oxepanes are central motifs and tenants of many biologically important molecules, and their synthetic construction often presents a challenge to chemists due to consequential entropic and enthalpic barriers that have limited the synthetic toolbox to access these seven-membered oxacycles. This review covers the breadth of synthetic methods to afford the oxepane/thiepane moiety, with a focus on polyoxygenated oxepanes and includes radical cyclizations, Lewis acid-mediated cyclizations, ring closing-metathesis, Nicholas-Ferrier rearrangement, homologations, and ring-expansion strategies. Implementation of these tactics towards sugar-based and non-sugar based (de novo) approaches is presented alongside their extensive application to the total synthesis of several complex polyoxygenated oxepane-containing …


Photoluminescence Switching In Quantum Dots Connected With Fluorinated And Hydrogenated Photochromic Molecules, Ephraiem S. Sarabamoun, Jonathan M. Bietsch, Pramod Aryal, Amelia G. Reid, Maurice Curran, Grayson Johnson, Esther H. R. Tsai, Charles W. Machan, Guijun Wang, Joshua J. Choi Jan 2024

Photoluminescence Switching In Quantum Dots Connected With Fluorinated And Hydrogenated Photochromic Molecules, Ephraiem S. Sarabamoun, Jonathan M. Bietsch, Pramod Aryal, Amelia G. Reid, Maurice Curran, Grayson Johnson, Esther H. R. Tsai, Charles W. Machan, Guijun Wang, Joshua J. Choi

Chemistry & Biochemistry Faculty Publications

We investigate switching of photoluminescence (PL) from PbS quantum dots (QDs) crosslinked with two different types of photochromic diarylethene molecules, 4,4'-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (1H) and 4,4'-(1-perfluorocyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (2F). Our results show that the QDs crosslinked with the hydrogenated molecule (1H) exhibit a greater amount of switching in photoluminescence intensity compared to QDs crosslinked with the fluorinated molecule (2F). With a combination of differential pulse voltammetry and density functional theory, we attribute the different amount of PL switching to the different energy levels between 1H and 2F molecules which result in different potential barrier …


The A²Π–X²Σ⁺ Band System Of Yo, Peter F. Bernath, Manish Bhusal, Adam Pastorek Jan 2024

The A²Π–X²Σ⁺ Band System Of Yo, Peter F. Bernath, Manish Bhusal, Adam Pastorek

Chemistry & Biochemistry Faculty Publications

YO bands are conspicuous in the spectra of S stars. The laboratory spectrum of the A2Π–X2Σ+ electronic transition has been recorded with a Fourier transform spectrometer using a composite-wall hollow cathode lamp source. The A2Π–X2Σ+ transition with v ' ≤ 4 and v'' ≤ 4 has been rotationally analyzed using the modern spectral fitting program PGOPHER. Vibronic band strengths were calculated using an ab initio transition dipole moment function. A line list for the A2Π–X2Σ+ transition is provided and can be utilized in the modeling …


Synthesis Of Bis-Thioacid Derivatives Of Diarylethene And Their Photochromic Properties, Pramod Aryal, Jonathan Bietsch, Gowri Sankar Grandhi, Richard Chen, Surya B. Adhikari, Ephraiem S. Sarabamoun, Joshua J. Choi, Guijun Wang Jan 2024

Synthesis Of Bis-Thioacid Derivatives Of Diarylethene And Their Photochromic Properties, Pramod Aryal, Jonathan Bietsch, Gowri Sankar Grandhi, Richard Chen, Surya B. Adhikari, Ephraiem S. Sarabamoun, Joshua J. Choi, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Diarylethenes (DAEs) are an important class of photoswitchable compounds that typically undergo reversible photochemical conversions between the open and closed cyclized forms upon treatment with UV light or visible light. In this study, we introduced thioacid functional groups to several photochromic dithienylethene (DTE) derivatives and established a method that can be used to prepare these photoswitchable thioacids. Four thioacid-functionalized diarylethene derivatives were synthesized through the activation of carboxylic acids with N-hydroxysuccinimide, followed by reactions with sodium hydrosulfide with yields over 90%. These derivatives exhibited reversible photoswitching and photochromic properties upon treatment with ultraviolet (UV) and visible lights. The thioacid groups …


Quantification Of Antiretroviral Drug Emtricitabine In Human Plasma By Surface Enhanced Raman Spectroscopy, Marguerite R. Butler, Terry A. Jacot, Sucharita M. Dutta, Gustavo F. Doncel, John B. Cooper Jan 2024

Quantification Of Antiretroviral Drug Emtricitabine In Human Plasma By Surface Enhanced Raman Spectroscopy, Marguerite R. Butler, Terry A. Jacot, Sucharita M. Dutta, Gustavo F. Doncel, John B. Cooper

Chemistry & Biochemistry Faculty Publications

In this study, reproducible label-free detection and quantification of the antiretroviral drug emtricitabine (FTC) down to 78 ng/mL in human plasma by surface enhanced Raman spectroscopy (SERS) is presented. A novel plasma sample pretreatment method using silver nitrate and silver colloidal nanoparticles (Ag CNPs) was used to prepare the plasma samples for analysis. The pretreated plasma samples were evaporated to dryness on an aluminum surface and a computer-controlled Raman scanning system was used to collect spatially resolved SERS spectra of the entire surface. Calibration curves of commercial human plasma samples containing FTC in a concentration range of 5000 to 78 …


Visible Opacities Of S-Type Stars: The D³Φ–A³Δ Band System Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin Jan 2024

Visible Opacities Of S-Type Stars: The D³Φ–A³Δ Band System Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin

Chemistry & Biochemistry Faculty Publications

ZrO is a well-studied metal monoxide because of its astrophysical importance in characterizing S stars. The bands of the d³Φ–a³Δ system (γ system) with v′≤4 and v" ≤ 5 are rotationally analyzed using the PGOPHER program to provide spectroscopic constants. The high-resolution ZrO emission spectrum was recorded with a Fourier transform spectrometer using a high-temperature carbon furnace source. New ab initio calculations of the transition dipole moment were carried out in order to determine the vibronic band strengths. The spectroscopic constants, along with the band strengths, are used to calculate a line list for the γ system. This line list …


Opacities Of S-Type Stars: The Singlet B¹⊓−X¹Σ⁺, B¹⊓−A¹Δ, And C¹Σ⁺−X¹Σ⁺ Band Systems Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin Jan 2024

Opacities Of S-Type Stars: The Singlet B¹⊓−X¹Σ⁺, B¹⊓−A¹Δ, And C¹Σ⁺−X¹Σ⁺ Band Systems Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin

Chemistry & Biochemistry Faculty Publications

The ZrO B1Π–X1Σ+, B1Π–A1Δ, and C1Σ+–X1Σ+ band systems are important opacity sources in the near-infrared and optical spectra of S-type stars. A total of 21 rovibronic bands with v'' ≤ 7 and v' ⩽ 5 were observed and fit for the B1Π–X1Σ+ transition, five bands for the 90ZrO B1Π–A1Δ transition and one band for the 90ZrO C1Σ+X1Σ+ transition. All band …


Metals And Metal Complexes In Diseases With A Focus On Covid-19: Facts And Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis Jun 2023

Metals And Metal Complexes In Diseases With A Focus On Covid-19: Facts And Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis

Chemistry & Biochemistry Faculty Publications

In the present Special Issue on “Metals and Metal Complexes in Diseases with a Focus on COVID-19: Facts and Opinions”, an attempt has been made to include reports updating our knowledge of elements considered to be potential candidates for therapeutic applications and certain metal-containing species, which are extensively being examined towards their potential biomedical use due to their specific physicochemical properties. The Special Issue compiles data on the role of metals in COVID-19 and focuses on other illnesses and biological processes that affect metal metabolism. It consists of eight manuscripts, including five review articles and three original research papers (Figure …


Tenvr: Matlab-Based Toolbox For Environmental Research, Aleksandar I. Goranov, Rachel L. Sleighter, Dobromir A. Yordanov, Patrick G. Hatcher Jan 2023

Tenvr: Matlab-Based Toolbox For Environmental Research, Aleksandar I. Goranov, Rachel L. Sleighter, Dobromir A. Yordanov, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

With the advancements in science and technology, datasets become larger and more multivariate, which warrants the need for programming tools for fast data processing and multivariate statistical analysis. Here, the MATLAB-based Toolbox for Environmental Research "TEnvR" (pronounced "ten-ver") is introduced. This novel toolbox includes 44 open-source codes for automated data analysis from a multitude of techniques, such as ultraviolet-visible, fluorescence, and nuclear magnetic resonance spectroscopies, as well as from ultrahigh resolution mass spectrometry. Provided are codes for processing data (e.g., spectral corrections, formula assignment), visualization of figures, calculation of metrics, multivariate statistics, and automated work-up of large datasets. TEnvR allows …


Extracting High-Molecular Weight Dna From Cyanobacteria Using Promega's Wizard® Hmw Dna Extraction Kit With A Modified Protocol, Metis, Megan A. Hept, Lesley H. Greene Jan 2023

Extracting High-Molecular Weight Dna From Cyanobacteria Using Promega's Wizard® Hmw Dna Extraction Kit With A Modified Protocol, Metis, Megan A. Hept, Lesley H. Greene

Chemistry & Biochemistry Faculty Publications

Extraction of high molecular weight (HMW) DNA for long read sequencing with little to no fragmentation and high purity is difficult to acquire from cyanobacterial species. Here we describe a modified method of extraction using Promega's Wizard® HMW DNA Extraction Kit to acquire high molecular weight DNA from cyanobacterial species. The protocol used in the kit is the “3.D. Isolating HMW DNA from Gram-Positive and Gram-Negative Bacteria” protocol. During a key step in the protocol, the lingering remnants of the mucilage layer of the cyanobacterial species is removed, preventing it from sticking to the DNA pellet produced. This customized modification …


Abiotic Stress Mitigation: A Case Study From 21 Trials Using A Natural Organic Matter Based Biostimulant Across Multiple Geographies, Rachel L. Sleighter, Terry Hanson, David Holden, Kristen M. Richards Jan 2023

Abiotic Stress Mitigation: A Case Study From 21 Trials Using A Natural Organic Matter Based Biostimulant Across Multiple Geographies, Rachel L. Sleighter, Terry Hanson, David Holden, Kristen M. Richards

Chemistry & Biochemistry Faculty Publications

Crop productivity and yields can be greatly diminished by abiotic stress events including drought, extreme temperatures, excess moisture, and saline irrigation water. Multiple stressors occurring simultaneously can further exacerbate the strain on plants. Various types of biostimulants have been shown to mitigate abiotic stress and here, the results of 21 trials on corn, wheat, soybean, and various high-value crops are discussed in the context of the abiotic stress that either occurred naturally or was experimentally induced. Treatments in these trials included stressed and non-stressed plants, as well as either an untreated control or grower standard fertilizer applications alone and in …


Sound The (Smaller) Alarm: The Triphosphate Magic Spot Nucleotide Pgpp, Areej Malik, Megan A. Hept, Erin B. Purcell Jan 2023

Sound The (Smaller) Alarm: The Triphosphate Magic Spot Nucleotide Pgpp, Areej Malik, Megan A. Hept, Erin B. Purcell

Chemistry & Biochemistry Faculty Publications

It has recently become evident that the bacterial stringent response is regulated by a triphosphate alarmone (pGpp) as well as the canonical tetra- and pentaphosphate alarmones ppGpp and pppGpp [together, (p)ppGpp]. Often dismissed in the past as an artifact or degradation product, pGpp has been confirmed as a deliberate endpoint of multiple synthetic pathways utilizing GMP, (p)ppGpp, or GDP/GTP as precursors. Some early studies concluded that pGpp functionally mimics (p)ppGpp and that its biological role is to make alarmone metabolism less dependent on the guanine energy charge of the cell by allowing GMP-dependent synthesis to continue when GDP/GTP has been …


Infrared Spectra Of Small Radicals For Exoplanetary Spectroscopy: Oh, Nh, Cn, And Ch: The State Of Current Knowledge, Svatopluk Civiš, Adam Pastorek, Martin Ferus, Sergei N. Yurchenko, Noor-Ines Boudjema Jan 2023

Infrared Spectra Of Small Radicals For Exoplanetary Spectroscopy: Oh, Nh, Cn, And Ch: The State Of Current Knowledge, Svatopluk Civiš, Adam Pastorek, Martin Ferus, Sergei N. Yurchenko, Noor-Ines Boudjema

Chemistry & Biochemistry Faculty Publications

In this study, we present a current state-of-the-art review of middle-to-near IR emission spectra of four simple astrophysically relevant molecular radicals—OH, NH, CN and CH. The spectra of these radicals were measured by means of time-resolved Fourier transform infrared spectroscopy in the 700–7500 cm−1 spectral range and with 0.07–0.02 cm−1 spectral resolution. The radicals were generated in a glow discharge of gaseous mixtures in a specially designed discharge cell. The spectra of short-lived radicals published here are of great importance, especially for the detailed knowledge and study of the composition of exoplanetary atmospheres in selected new planets. Today, …


Thermotrophy Exploratory Study, James Weifu Lee Jan 2023

Thermotrophy Exploratory Study, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

The question of whether environmental heat energy could be utilized as a source of energy for biological metabolism is the center of this exploratory research. In 1979, this author postulated a hypothesis for the existence of thermotrophs that could isothermally utilize environmental heat energy as a source of their energy on Earth. According to this hypothesis, the thermotrophs could be the first primitive forms of life in the early Earth environment. The chemotrophs and phototrophs that we currently are all well familiar with might have been evolved somehow from the primitive thermotrophs. Furthermore, all the organisms currently regarded as the …


Halogen Bonding Interactions Of Haloaromatic Endocrine Disruptors And The Potential For Inhibition Of Iodothyronine Deiodinases, Craig A. Bayse Jan 2023

Halogen Bonding Interactions Of Haloaromatic Endocrine Disruptors And The Potential For Inhibition Of Iodothyronine Deiodinases, Craig A. Bayse

Chemistry & Biochemistry Faculty Publications

Halogen bonding (XB) is a potential mechanism for the inhibition of the thyroid-activating/deactivating iodothyronine deiodinase family of selenoproteins through interactions with halogenated endocrine disrupting compounds (EDCs). Trends in XB interactions were examined using density functional theory for a series of polyhalogenated dibenzo-1,4-dioxins, biphenyls, and other EDCs with methylselenolate, a simple model of the Dio active site selenocysteine. The strengths of the interactions depend upon the halogen (Br>Cl), the degree of substitution, and the position of the acceptor. In terms of donor-acceptor energies, interactions at the meta position are often the strongest, suggesting a link to the topology of THs, …


Para-Methoxybenzylidene Acetal-Protected D-Glucosamine Derivatives As Ph-Responsive Gelators And Their Applications For Drug Delivery, Jonathan Bietsch, Logan Baker, Anna Duffney, Alice Mao, Mary Foutz, Cheandri Ackermann, Guijun Wang Jan 2023

Para-Methoxybenzylidene Acetal-Protected D-Glucosamine Derivatives As Ph-Responsive Gelators And Their Applications For Drug Delivery, Jonathan Bietsch, Logan Baker, Anna Duffney, Alice Mao, Mary Foutz, Cheandri Ackermann, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Carbohydrate-based low molecular weight gelators (LMWGs) are compounds with the capability to self-assemble into complex molecular networks within a solvent, leading to solvent immobilization. This process of gel formation depends on noncovalent interactions, including Van der Waals, hydrogen bonding, and π–π stacking. Due to their potential applications in environmental remediation, drug delivery, and tissue engineering, these molecules have emerged as an important area of research. In particular, various 4,6-O-benzylidene acetal-protected D-glucosamine derivatives have shown promising gelation abilities. In this study, a series of C-2-carbamate derivatives containing a para-methoxy benzylidene acetal functional group were synthesized and characterized. These compounds exhibited good …