CHEM Faculty Publications
Recent Submissions
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d$^6$versus d$^{10}$, Which is better for second harmonic generation susceptibility? A Case Study of K$_2$TGe$_3$Ch$_8$ (T = Fe, Cd; Ch = S, Se)
(American Chemical Society, 2022-12-29)Two acentric chalcogenide compounds, K$_2$CdGe$_3$S$_8$ and K$_2$CdGe$_3$Se$_8$, were synthesized via conventional high-temperature solid-state reactions. The crystal structures of K$_2$CdGe$_3$S$_8$ and K$_2$CdGe$_3$S$_8$ ... -
Top-down ion mobility separations of isomeric proteoforms
(American Chemical Society, 2022-12-23)Continuing advances in proteomics highlight the ubiquity and biological importance of proteoforms proteins with varied sequence, splicing, or distribution of post-translational modifications (PTMs). The preeminent example ... -
Broad-spectrum cyclopropane-based inhibitors of coronavirus 3C-like proteases: Biochemical, structural, and virological studies
(American Chemical Society, 2022-12-28)The advent of SARS-CoV-2, the causative agent of COVID-19, and its worldwide impact on global health, have provided the impetus for the development of effective countermeasures that can be deployed against the virus, ... -
Structure-guided design of potent spirocyclic inhibitors of severe acute respiratory syndrome coronavirus-2 3C-like protease
(American Chemical Society, 2022-06-09)The worldwide impact of the ongoing COVID-19 pandemic on public health has made imperative the discovery and development of direct-acting antivirals aimed at targeting viral and/or host targets. SARS-CoV-2 3C-like protease ... -
Potent protease inhibitors of highly pathogenic lagoviruses: Rabbit hemorrhagic disease virus and European brown hare syndrome virus
(American Society for Microbiology, 2022-06-29)Rabbit hemorrhagic disease (RHD) and European brown hare syndrome (EBHS) are highly contagious diseases caused by lagoviruses in the Caliciviridae family. These infectious diseases are associated with high mortality and a ... -
Synthesis, crystal and electronic structures, nonlinear optical properties, and magnetic properties of two thiophosphates: KInP\(_2\)S\(_7\) and KCrP\(_2\)S\(_7\)
(MDPI, 2022-10-22)Two thiophosphates, KInP\(_2\)S\(_7\) and KCrP\(_2\)S\(_7\), were structurally characterized without investigating any optical properties. Herein in this work, KInP\(_2\)S\(_7\) and KCrP\(_2\)S\(_7\) were revisited to ... -
Quantitative assessment of additive leachates in abiotic weathered tire cryogrinds and its application to tire wear particles in roadside soil samples
(Elsevier Ltd, 2023-01-01)Tire and road wear particles (TRWP) are becoming an important research question with potential risks on ecological system. A comprehensive understanding of their detection and quantification in soils are challenged by the ... -
Complexometric titration of bismuth in over-the-counter stomach relief products
(ACS Publications, 2022-11-08)Three direct complexometric titration methods for bismuth subsalicylate determination in over-the-counter stomach relief caplets and liquids are presented, as well as a UV–vis assay, for use in student laboratories. The ... -
Self-assembly and micellar transition in CTAB solutions triggered by 1-Octanol
(American Chemical Society, 2022-10-13)This study exploits higher-order micellar transition ranging from ellipsoidal to rodlike to wormlike induced by 1-octanol (C$_8$OH) in an aqueous solution of cetyltrimethylammonium bromide (CTAB), characterizing phase ... -
Method development for separation and analysis of tire and road wear particles from roadside soil samples
(American Chemical Society, 2022-09-06)A comprehensive understanding of tire and road wear particles (TRWPs) and their detection and quantification in soils is still challenged by the lack of well-set standardized methods, inherent technological inconsistencies, ... -
Newly identified C–H⋯O hydrogen bond in histidine
(The Royal Society of Chemistry, 2022-06-19)New Cδ–H⋯O histidine hydrogen bonding interactions in various proteins are identified by neutron diffraction and computationally characterized. Neutron diffraction data shows several H-bond motifs with the Cδ–H moiety in ... -
Discovery of a Redox-activatable chemical probe for detection of cyclooxygenase-2 in cells and animals
(American Chemical Society, 2022-07-15)Cyclooxygenase-2 (COX-2) expression is up-regulated in inflammatory tissues and many premalignant and malignant tumors. Assessment of COX-2 protein in vivo, therefore, promises to be a powerful strategy to distinguish ... -
Probing adaptation of hydration and protein dynamics to temperature
(American Chemical Society, 2022-06-28)Protein dynamics is strongly influenced by the surrounding environment and physiological conditions. Here we employ broadband megahertz-to-terahertz spectroscopy to explore the dynamics of water and myoglobin protein on ... -
Polymeric biomaterials for wound healing applications: a comprehensive review
(Taylor and Francis Ltd., 2022-06-19)Chronic wounds have been a global health threat over the past few decades, requiring urgent medical and research attention. The factors delaying the wound-healing process include obesity, stress, microbial infection, aging, ... -
A$_2$P$_2$S$_6$ (A = Ba and Pb): a good platform to study the polymorph effect and lone pair effect to form an acentric structure
(The Royal Society of Chemistry, 2022-05-14)Three ternary thiophosphates α-Ba$_2$P$_2$S$_6$, β-Ba$_2$P$_2$S$_6$, and Pb$_2$P$_2$S$_6$ were synthesized via a high temperature salt flux method or an I2 transport reaction. β-Ba$_2$P$_2$S$_6$ and Pb$_2$P$_2$S$_6$ were ... -
Structure of the anthrax protective antigen D425A dominant negative mutant reveals a stalled intermediate state of pore maturation
(Elsevier, 2022-05-15)The tripartite protein complex produced by anthrax bacteria (Bacillus anthracis) is a member of the AB family of β-barrel pore-forming toxins. The protective antigen (PA) component forms an oligomeric prepore that assembles ... -
Evolution of structure and transport properties of the Ba$_8$Cu$_{16}$P$_{30}$ clathrate-I framework with the introduction of Ga
(American Institute of Physics Inc., 2022-05-09)Two type-I clathrates were synthesized by introducing Ga into the framework of the Ba$_8$Cu$_{16}$P$_{30}$ type-I clathrate. The introduction of minute amounts of Ga, 1.9% Ga/Mtotal (where $M_{total}$ = Cu + Ga), resulted ... -
Assessing the dipole moments and directional cross sections of proteins and complexes by differential ion mobility spectrometry
(American Chemical Society, 2022-05-02)Ion mobility spectrometry (IMS) has become a mainstream approach to fractionate complex mixtures, separate isomers, and assign the molecular geometries. All modalities were grouped into linear IMS (based on the absolute ... -
Evolution of electronic and magnetic properties in the topological semimetal SmSb$_x$Te$_{2-x}$
(American Physical Society, 2022-04-21)The ZrSiS-Type materials have attracted intensive attention due to the existence of various topological fermions. The magnetic version of the ZrSiS-Type materials, LnSbTe (Ln=lanthanides), is an ideal candidate to explore ... -
Synthesis, crystal and electronic structures, and nonlinear optical properties of Y$_4$Si$_3$S$_{12}$
(Wiley, 2022-03-21)A new acentric sulfide Y$_4$Si$_3$S$_{12}$ was grown by a high temperature vapor transport reaction. The crystal structure of Y$_4$Si$_3$S$_{12}$ was determined by single crystal X-ray diffraction. Y$_4$Si$_3$S$_{12}$ is ...
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