Browsing CHEM Faculty Scholarship by Title
Now showing items 395-414 of 491
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Spectral and electrochemical investigations on the "tail-on" and "tail-off" mechanism in pyridine covalently bound zinc(II) porphyrins
(American Chemical Society, 1996-09-11) -
Spectroscopic and computational investigations of the temperature-dependent emission behavior of [Re(CNx)5Cl] and [Re(CNx)6]+ complexes
(American Chemical Society, 2005-01-05)[Re(CNx)5Cl] and [Re(CNx)6](PF6) complexes form with the isocyanide ligand, 2,6-dimethylphenylisocyanide (CNx). [Re(CNx)5Cl] crystallizes in the space group P(2)1/c with a Re−Cl bond length of 2.5278(16) Å, a Re−C bond ... -
A spectroscopic and computational study on the effects of methyl and phenyl substituted phenanthroline ligands on the electronic structure of Re(I) tricarbonyl complexes containing 2,6-dimethylphenylisocyanide
(RSC Publishing, 2005-01-21)[Re(CO)3(CNx)(L)]+, where CNx = 2,6-dimethylphenylisocyanide, forms complexes with L = 1,10-phenanthroline (1), 4-methyl-1,10-phenanthroline (2), 4,7-dimethyl-1,10-phenanthroline (3), 3,4,7,8-tetramethyl-1,10-phenanthroline ... -
A spectroscopic and computational study on the effects of methyl and phenyl substituted phenanthroline ligands on the electronic structure of Re(I) tricarbonyl complexes containing 2,6-dimethylphenylisocyanide
(Royal Society of Chemistry, 2005-03-21)[Re(CO)3(CNx)(L)]+, where CNx = 2,6-dimethylphenylisocyanide, forms complexes with L = 1,10-phenanthroline (1), 4-methyl-1,10-phenanthroline (2), 4,7-dimethyl-1,10-phenanthroline (3), 3,4,7,8-tetramethyl-1,10-phenanthroline ... -
Spectroscopic evidence for mobilization of amide position protons during CID of model peptide ions
(Springer, 2009-10-01)Infrared multiple photon dissociation (IRMPD) spectroscopy was used to study formation of b2+ from nicotinyl-glycine-glycine-methyl ester (NicGGOMe). IRMPD shows that NicGGOMe is protonated at the pyridine ring of the ... -
Spectroscopic investigation of H atom transfer in a gas-phase dissociation reaction: McLafferty rearrangement of model gas-phase peptide ions
(Royal Society of Chemistry, 2008-06-14)Wavelength-selective infrared multiple-photon photodissociation (WS-IRMPD) was used to study isotopically-labeled ions generated by McLafferty rearrangement of nicotinyl-glycine-tert-butyl ester and betaine-glycine-tert-butyl ... -
Spectroscopic Properties of [Pt2(μ-P2O5H2)4]:4- A Time-Dependent Density Functional Theory and Conductor-like Polarizable Continuum Model Investigation
(American Chemical Society, 2004-07-21)The calculation of the singlet ground-state (SGS) and the lowest-lying triplet-state (LLTS) geometries of [Pt2(μ-P2O5H2)4]4- in the gas phase using density functional theory (DFT) produces 7% Pt−Pt bond shortening in the ... -
SrZnSnSe$_4$: A quaternary selenide with large second harmonic generation and birefringence
(Elsevier, 2022-02-08)Infrared nonlinear optical (NLO) materials with great laser conversion efficient play a key role in military and civil fields. SrZnSnSe$_4$ was synthesized via replacing S elements with Se in SrZnSnS$_4$ compound. SrZnSnSe$_4$ ... -
Stability of domain 4 of the anthrax toxin protective antigen and the effect of the VWA domain of CMG2 on stability
(John Wiley & Sons, Inc., 2017-02)The major immunogenic component of the current anthrax vaccine, anthrax vaccine adsorbed (AVA) is protective antigen (PA). We have shown recently that the thermodynamic stability of PA can be significantly improved by ... -
Structural properties of platinum(II) biphenyl complexes containing 1,10-phenanthroline derivatives
(ELSEVIER SCIENCE BV, 2013-06-10)Seven platinum(II) complexes formulated as Pt(bph)L, where bph is the 2,2'-biphenyl dianion and L = 4-methyl-1,10-phenanthroline (4-Mephen), 5-methyl-1,10-phenanthroline (5-Mephen), 5-chloro-1,10-phenanthroline (5-Clphen), ... -
Structurally informative isotopic shifts in ion mobility spectra for heavier species
(American Chemical Society, 2019-11-20)The isotopic molecular envelopes due to stable isotopes for most elements were a staple of mass spectrometry since its origins, often leveraged to identify and quantify compounds. However, all isomers share one MS envelope. ... -
Structure and function of palladin’s actin binding domain
(Elsevier, 2013-06-25)Here we report the NMR structure of the actin-binding domain contained in the cell adhesion protein palladin. Previously we demonstrated that one of the immunoglobulin domains of palladin (Ig3) is both necessary and ... -
Structure and luminescence properties of [Re(4,7-dimethyl-1,10-phenanthroline(CO)3py]+ in a solid matrix
(ACS Publications, 1995-05) -
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 ... -
Structure, Dynamics and Folding of an Immunoglobulin-like Domain of Actin Binding Protein Palladin
(Federation of American Societies for Experimental Biology, 2017-04)While members of the immunoglobulin (Ig) share a very conserved folding pattern, this family is also the most diverse in terms of function and sequence. The conserved ®–sandwich fold of Ig domains provides a stable scaffold ... -
Structure, physical, and photophysical properties of platinum(II) complexes containing bidentate aromatic and bis(diphenylphosphino)methane as ligands
(American Chemical Society, 2000-05-01)This study focuses on a series of PtII(L-L')(dppm)n+ complexes, where dppm is bis(diphenylphosphino)methane and L-L' are C-C' (n = 0), C-N (n = 1), and N-N' (n = 2) aromatic ligands. Structural characteristics are as ... -
Structure-based design and optimization of dipeptidyl inhibitors of norovirus 3CL protease
(American Chemical Society, 2014-08-10)Human noroviruses are the primary cause of sporadic and epidemic acute gastroenteritis in the US and worldwide. Noroviruses constitute an important public health problem, as well as a potential bioterrorism threat. The ... -
Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies
(Elsevier B.V., 2016-08-25)Outbreaks of acute gastroenteritis caused by noroviruses constitute a public health concern worldwide. To date, there are no approved drugs or vaccines for the management and prophylaxis of norovirus infections. A potentially ... -
Structure-based design of a general class of mechanism-based inhibitors of the serine proteinases employing a novel amino acid-derived heterocyclic scaffold
(American Chemical Society, 1997-04-22)We describe in this paper the structure-based design of a general class of heterocyclic mechanism-based inhibitors of the serine proteinases that embody in their structure a novel peptidomimetic scaffold (1,2,5-thiadiazo ... -
Structure-based exploration and exploitation of the S-4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors
(Elsevier B.V., 2017-01-27)Human noroviruses are the primary cause of epidemic and sporadic acute gastroenteritis. The worldwide high morbidity and mortality associated with norovirus infections, particularly among the elderly, immunocompromised ...