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Full-Text Articles in Physical Sciences and Mathematics

Chemical Signals From Submarine Fluid Advection Onto The Continental Shelf, W. S. Moore, Timothy J. Shaw Sep 1998

Chemical Signals From Submarine Fluid Advection Onto The Continental Shelf, W. S. Moore, Timothy J. Shaw

Faculty Publications

No abstract provided.


Correlation Function Formulation For The State Selected Total Reaction Probability, Sophya Garashchuk, David J. Tannor Aug 1998

Correlation Function Formulation For The State Selected Total Reaction Probability, Sophya Garashchuk, David J. Tannor

Faculty Publications

Investigates the correlation function formulation for the state selected total reaction probability. Discussion of the wave packet propagation; Derivation of the correlation function expression for the N[sub alpha](E); Application of quantum-mechanical and Herman-Kluk propagation methods.


Role Of The Maillard Reaction In Aging Of Tissue Proteins: Advanced Glycation End Product-Dependent Increase In Imidazolium Cross-Links In Human Lens Proteins, Elisabeth Brinkmann Frye, Thorsten P. Degenhardt, Suzanne R. Thorpe, John W. Baynes Jul 1998

Role Of The Maillard Reaction In Aging Of Tissue Proteins: Advanced Glycation End Product-Dependent Increase In Imidazolium Cross-Links In Human Lens Proteins, Elisabeth Brinkmann Frye, Thorsten P. Degenhardt, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

Dicarbonyl compounds such as glyoxal and methylglyoxal are reactive dicarbonyl intermediates in the nonenzymatic browning and cross-linking of proteins during the Maillard reaction. We describe here the quantification of glyoxal and methylglyoxal-derived imidazolium cross-links in tissue proteins. The imidazolium salt cross-links, glyoxal-lysine dimer (GOLD) and methylglyoxal-lysine dimer (MOLD), were measured by liquid chromatography/mass spectrometry and were present in lens protein at concentrations of 0. 02-0.2 and 0.1-0.8 mmol/mol of lysine, respectively. The lens concentrations of GOLD and MOLD correlated significantly with one another and also increased with lens age. GOLD and MOLD were present at significantly higher concentrations than the …


Ab Initio Study Of Formazan And 3-Nitroformazan, G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam, Salai Cheettu Ammal Jan 1998

Ab Initio Study Of Formazan And 3-Nitroformazan, G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam, Salai Cheettu Ammal

Faculty Publications

Formazan and 3-nitroformazan have been investigated at abinitio level (MP2/6-31G** and B3LYP/6-31G**) in all their possible conformations, for studying the various possibilities of intramolecular hydrogen bonding formation. The trans-syn-s-cis (TSSC), known also asyellowform, has been found to be the most stable conformer (at least in the gas phase) in both compounds. This particular structure is strongly stabilized by a N–H···N hydrogen bridge, which gives rise to a hexatomic chelate ring, with the possibility of a proton transfer process.This closely resembles that of malondialdehyde, previously studied, in the evolution of the …


Ab Initio And Dft Investigations Of Lithium/Hydrogen Bonded Complexes Of Trimethylamine, Dimethyl Ether And Dimethyl Sulfide, Salai Cheettu Ammal, P. Venuvanalingam Jan 1998

Ab Initio And Dft Investigations Of Lithium/Hydrogen Bonded Complexes Of Trimethylamine, Dimethyl Ether And Dimethyl Sulfide, Salai Cheettu Ammal, P. Venuvanalingam

Faculty Publications

Ab initio and DFT computations have been carried out on LiF and HF complexes of a set of n-donors viz. trimethylamine, dimethyl ether and dimethyl sulfide with a 6-31++G(d,p) basis set. The effect of correlation has been included with MP2, MP4 and DFT calculations. NBO analyses of the wavefunctions have been performed to examine the intermolecular interaction at the orbital level. Calculations reveal that these donors form strong n→σ* complexes and computed binding energies of the (CH3)2O···HF complex agree very well with the experimental binding energies from IR spectroscopy. LiF forms stronger complexes than HF, …