Browsing Chemistry and Biochemistry by Title
Now showing items 141-160 of 691
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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$_8$ ... -
Delineation of isomers and structural elucidation of macromolecules using high-field ion mobility spectrometry with mass spectrometry
(Wichita State University, 2022-12)Ion Mobility Mass Spectrometry (IMS) is a powerful tool that has been utilized to disentangle components out of a complex mixture, distinguish isomers and elucidate geometries. Linear IMS is based on the absolute mobility ... -
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 ... -
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous F-19-NMR spectra of fluorohistidine isomers and analogues
(Royal Society of Chemistry, 2015-10-23)Fluorine NMR spectroscopy is a powerful tool for studying biomolecular structure, dynamics, and ligand binding, yet the origins of F-19 chemical shifts are not well understood. Herein, we use electronic structure calculations ... -
Dengue virus and West Nile virus protease inhibitors
(Wichita State University, 2013-05)Dengue virus and West Nile virus are important mosquito-borne pathogens of Flaviviridae family affecting millions of people worldwide and causing a severe global healthcare threat. However, currently there are no approved ... -
Density functional theory calculations of selected Ru(II) two ring diimine complex dications
(American Chemical Society, 2002-06-03)Geometry optimization for a series of ten, two-ring diimine Ru(II) complexes was effected using the Gaussian 98 protocol at density functional theory (DFT) B3LYP level with basis sets 3-21G*and 3-21G**. HOMO-LUMO energy ... -
Dependence of proline isomerization on the kinetics of folding of anthrax lethal factor
(Wichita State University, 2022-04-29)The death that can come within a few days after exposure to the anthrax toxin from $Bacillus$ $anthracis$ is due to the presence and effects of anthrax lethal factor (LF). LF is a zinc metalloproteinase whose function ... -
Derivatives of 3-alkyl-N-hydroxysuccinimide: probing the effect of structure on bioactivity toward human leukocyte elastase
(Harwood Academic Publishers, 1994-02-01)A structure-activity relationship study was conducted in order to probe the nature of the interaction between some 3-alkyl-N-hydroxysuccinimide derivatives and human leukocyte elastase. The structural features in substituent ... -
Derivatized mixed-ring heterocyclic and antenna carotene ligands
(American Chemical Society, 2018)General synthetic methods have been devised to prep. derivatized mixed-ring heterocyclic and antenna carotene ligands with nitrogen donor atoms. Synthetic methods involve prepn. of intermediate compds. in route to arom. ... -
Design and physico-chemical studies of "two-point" bound supramolecular porphyrin-fullerene conjugates formed by cation-crown ether complexation and axial co-ordination or π-π interactions
(Wichita State University. Graduate School., 2006-04-28) -
Design and studies of a self-assembled cofacial zinc phthalocyanine dimer complexed with fullerene(s)
(Wichita State University. Graduate School., 2008-04-25)Biomimetic bacterial photosynthetic reaction center complexes have been constructed using welldefined self-assembled supramolecular approaches. The “special pair” donor, a cofacial phthalocyanine dimer, was formed via ... -
Design and studies of azadipyrromethene appended donor-acceptor conjugates
(Wichita State University, 2011-07)The research work presented in this thesis is comprised of syntheses, characterization, electrochemical and photophysical studies of aza-BODIPY appended donor-acceptor conjugates. The first chapter delivers an introduction ... -
Design and studies of photo-induced electron transfer in ‘Pacman’ type porphyrin-fullerene conjugates
(Wichita State University. Graduate School., 2007-04-27)The design of donor-acceptor systems and the study of their photo-induced electron transfer processes are of current interest in artificial photosynthesis and solar energy conversion. Among donor-acceptor conjugates, ... -
Design and studies on supramolecular ferrocene-porphyrin-fullerene constructs for generating long-lived charge separated states
(American Chemical Society, 2006-12-21)Supramolecular ferrocene-porphyrin-fullerene constructs, in which covalently linked ferrocene-porphyrin-crown ether compounds were self-assembled with alkylammonium cation functionalized fullerenes, have been designed to ... -
Design and synthesis of inhibitors of noroviruses by scaffold hopping
(Elsevier, 2011-10-01)A scaffold hopping strategy was employed to identify new chemotypes that inhibit noroviruses. The replacement of the cyclosulfamide scaffold by an array of heterocyclic scaffolds lead to the identification of additional ... -
Design, syntheses, and studies of supramolecular porphyrin-fullerene conjugates, using bis-18-crown-6 appended porphyrins and pyridine or alkyl ammonium functionalized fullerenes
(American Chemical Society, 2006-03-30)Photoinduced electron-transfer processes in cis and trans functionalized bis-18-crown-6 porphyrin self-assembled with fullerene functionalized with pyridine or alkylammonium cation entities are reported. The structural ... -
Design, synthesis and biological evaluation of small molecules with potential antibacterial and antiviral activity
(Wichita State University, 2022-05)In recent years, the ongoing explosion of antibiotic-resistance and viral infections has posed a major threat to global public health and called for the development of new therapeutics. Here, a set of novel compounds are ... -
Design, synthesis and biological evaluation of succinimide derivatives as potential mechanism-based inhibitors of human leukocyte elastase, cathepsin G and proteinase 3
(Elsevier, 1995-04-01)Structure-activity relationship study and in vitro biochemical studies with human leukocyte elastase, cathepsin G and proteinase 3 were conducted using a series of succinimide derivatives. -
Design, synthesis and characterization of novel 1,2-benzisothiazol-3(2H)-one and 1,3,4-oxadiazole hybrid derivatives: Potent inhibitors of Dengue and West Nile virus NS2B/NS3 proteases
(PERGAMON-ELSEVIER SCIENCE LTD, 2013-01)1,2-Benzisothiazol-3(2H)-ones and 1,3,4-oxadiazoles individually have recently attracted considerable interest in drug discovery, including as antibacterial and antifungal agents. In this study, a series of functionalized ... -
Design, synthesis and evaluation of peptidomimetic inhibitors of severe acute respiratory syndrome coronavirus-2 (sars-cov-2) and Middle East respiratory syndrome coronavirus (mers-cov) proteases
(Wichita State University, 2023-05)SARS-CoV-2 and MERS-CoV president the human coronaviruses and zoonotic coronaviruses due to tremendous repercussions to wellbeing of the world population. Investigational efforts focusing on the disease pathology and viral ...