CHEM Faculty Publications
Recent Submissions
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Extended search for supernovalike neutrinos in NOvA coincident with LIGO/Virgo detections
(American Physical Society, 2021-09-15)A search is performed for supernovalike neutrino interactions coincident with 76 gravitational wave events detected by the LIGO/Virgo Collaboration. For 40 of these events, full readout of the time around the gravitational ... -
Contrasting effect of 1-butanol and 1,4-butanediol on the triggered micellar self-assemblies of $C_{16}-$type cationic surfactants
(Royal Society of Chemistry, 2021-08-09)The self-assembly in aqueous solutions of three quaternary salt-based $C_{16}$-type cationic surfactants with different polar head groups and identical carbon alkyl chain viz., cetylpyridinium bromide (CPB), cetyltrimethylammonium ... -
Ion mobility spectrometry of superheated macromolecules at electric fields up to 500 Td
(American Chemical Society, 2021-08-23)Since its inception in 1980s, differential or field asymmetric waveform ion mobility spectrometry (FAIMS) has been implemented at or near ambient gas pressure. We recently developed FAIMS at 15–30 Torr with mass spectrometry ... -
Magnetic topological semimetal phase with electronic correlation enhancement in SmSbTe
(Wiley, 2021-08-24)The ZrSiS family of compounds hosts various exotic quantum phenomena due to the presence of both topological nonsymmorphic Dirac fermions and nodal-line fermions. In this material family, the LnSbTe (Ln = lanthanide) ... -
Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in $K_2TGe_3S_8(T = Co, Fe)$
(American Chemical Society, 2021-07-01)Two new quaternary sulfides $K_2TGe_3S_8(T = Co, Fe)$ have been synthesized by a high-temperature solid-state routine and flux growth method. The crystal growth process of $K_2TGe_3S_8(T = Co, Fe)$ was elucidated by in ... -
Structure-guided design of conformationally constrained cyclohexane inhibitors of severe acute respiratory syndrome coronavirus-2 3cl protease
(American Chemical Society, 2021-07-01)A series of nondeuterated and deuterated dipeptidyl aldehyde and masked aldehyde inhibitors that incorporate in their structure a conformationally constrained cyclohexane moiety was synthesized and found to potently inhibit ... -
Synthesis, crystal structure, linear and nonlinear optical properties of quaternary sulfides $Ba_6$$(Cu_2X)$$Ge_4$$S_{16}$ $(X=Mg, Mn, Cd)$
(Elsevier, 2021-08-01)Three new quaternary noncentrosymmetric sulfides, $Ba_6$$(Cu_{1.9}$$4Mg_{1.1})$$Ge_4$$S_{16,}$ $Ba_6$$(Cu_{2.2}$$Mn_{0.8})$$Ge_4$$S_{16,}$ and $Ba_6$($Cu_{1.6}$$Cd_{1.4}$)$Ge_4$$S_{16,}$ have been synthesized by a ... -
Tuning cationic micelle properties with an antioxidant additive: A molecular perspective
(American Chemical Society, 2021-04-01)In this work, we characterize the micellization and morphology transition induced in aqueous cetyltrimethylammonium bromide (CTAB) solution by the addition of the antioxidant propyl gallate (PG) using tensiometry, rheology, ... -
Low-field differential ion mobility spectrometry of dipole-aligned macromolecules
(American Chemical Society, 2020-09-04)Ion mobility spectrometry (IMS) with mass spectrometry has grown into a powerful approach to simplify complex mixtures, disentangle isomers, and elucidate their geometries. Two established branches are linear IMS based on ... -
Synthesis, crystal structure, and thermoelectric properties of ternary phosphide $BaCu_5P_3$
(Elsevier, 2021-04)A new copper-phosphide, $BaCu_5P_3$ was synthesized by a high-temperature solid-state route and salt flux method. The crystal structure of $BaCu_5P_3$ was determined using single crystal X-ray diffraction. $BaCu_5P_3$ ... -
Caenorhabditis elegans model studies show $MPP^+$is a simple member of a large group of related potent dopaminergic toxins
(American Chemical Society, 2021-01-26)Although the causes of Parkinson’s disease (PD) are not fully understood, the consensus is that a combination of genetic and environmental factors plays a major role. The discovery that the synthetic chemical, 1-methyl-4 ... -
Dynamic Preference for NADP/H Cofactor Binding/Release in E. coli YqhD Oxidoreductase
(MDPI, 2021-01)YqhD, an E. coli alcohol/aldehyde oxidoreductase, is an enzyme able to produce valuable bio-renewable fuels and fine chemicals from a broad range of starting materials. Herein, we report the first computational solution-phase ... -
Urethane methacrylate reactive diluents for UV-curable polyester powder coatings
(Springer, 2021-01-15)Three urethane methacrylates, one monofunctional derivative and two di-functional derivatives with different chain lengths were used as reactive diluents in UV-curable polyester powder coatings. Each reactive diluent was ... -
The study and application of biomolecules in deep eutectic solvents
(Royal Society of Chemistry, 2021-01)Biomolecules have been thoroughly investigated in a multitude of solvents historically in order to accentuate or modulate their superlative properties in an array of applications. Ionic liquids have been extensively explored ... -
Delineation of Isomers by the 13C Shifts in Ion Mobility Spectra
(American Chemical Society, 2020-11-17)Mass spectrometry (MS) and isotopes were intertwined for a century, with stable isotopes central to many MS identification and quantification protocols. In contrast, the analytical separations including ion mobility ... -
Structure-guided optimization of dipeptidyl inhibitors of Norovirus 3CL protease
(American Chemical Society, 2020-09-18)Acute gastroenteritis caused by noroviruses has a major impact on public health worldwide in terms of morbidity, mortality, and economic burden. The disease impacts most severely immunocompromised patients, the elderly, ... -
Review -- Two different multiple photosynthetic reaction centers using either zinc porphyrinic oligopeptide-fulleropyrrolidine or free-base porphyrinic polypeptide-Li+@C60supramolecular complexes
(Institute of Physics Publishing, 2020-08-10)An overview of two successful examples of photosynthetic reaction center models combined with light-capturing antenna chromophores is presented. In the first example, supramolecular complexes are formed between flexible ... -
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice
(NLM (Medline), 2020-08-19)Pathogenic coronaviruses are a major threat to global public health, as exemplified by severe acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome coronavirus (MERS-CoV), and the newly emerged ... -
Design, synthesis, and photophysical properties of Re(I) tricarbonyl 1,10-phenanthroline complexes
(Elsevier, 2021-01-05)A series of [Re(5-R-phen)(CO)3(X)]0/+, where phen = 1,10-phenanthroline, R = H, CN, COOH, COONH2, and X = Cl or pyridine, was prepared and characterized by elemental analyses, NMR, Vis/UV, emission and cyclic voltammetry. ... -
High-resolution ion mobility separations of isomeric glycoforms with variations on the peptide and glycan levels
(American Chemical Society, 2020-06-05)Glycosylation is a ubiquitous post-translational modification (PTM) that strongly affects the protein folding and function. Glycosylation patterns are impacted by many diseases, making promising biomarkers. Glycans are ...
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