CHEM Faculty Scholarship
Recent Submissions
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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 ... -
A facile cross-linking approach to fabricate durable and self-healing superhydrophobic coatings of SiO2-PVA@PDMS on cotton textile
(Elsevier, 2020-07-05)Superhydrophobic surfaces with long-lasting stability through simple fabrication procedures have attracted considerable attention. The application of existing superhydrophobic surfaces is limited, considering the use of ... -
Synthesis and characterization of rhenium(I) 4,4′-dicarboxy-2,2′-bipyridine tricarbonyl complexes for solar energy conversion
(Elsevier, 2020-10-01)The synthesis of a series of rhenium(I) tricarbonyl complexes containing 4,4′-dicarboxy-2,2′-bipyridine (dcbpy) and various halide or pseudohalide ligands is reported. Deprotonation of the carboxylates occurs in basic ... -
Synthesis and computational and experimental investigations of a para-nicotinic acid-bridged dirhenium(I) dimer complex
(American Chemical Society, 2020-05-22)The Re(I) dimer complex, [fac(CO)3(phen)Re1-N(py)COORe2(phen)fac(CO)3]+ (py = pyridine; phen = 1,10-phenanthroline), contains two different Re(I) centers 9.3 Å apart, one with a nitrogen donor and the other with an acetate ...
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