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Full-Text Articles in Physics
Protein Conformational Entropy Is Not Slaved To Water, Bryan S Marques, Matthew A Stetz, Christine Jorge, Kathleen G Valentine, A Joshua Wand, Nathaniel V Nucci
Protein Conformational Entropy Is Not Slaved To Water, Bryan S Marques, Matthew A Stetz, Christine Jorge, Kathleen G Valentine, A Joshua Wand, Nathaniel V Nucci
Faculty Scholarship for the College of Science & Mathematics
Conformational entropy can be an important element of the thermodynamics of protein functions such as the binding of ligands. The observed role for conformational entropy in modulating molecular recognition by proteins is in opposition to an often-invoked theory for the interaction of protein molecules with solvent water. The "solvent slaving" model predicts that protein motion is strongly coupled to various aspects of water such as bulk solvent viscosity and local hydration shell dynamics. Changes in conformational entropy are manifested in alterations of fast internal side chain motion that is detectable by NMR relaxation. We show here that the fast-internal side …
Development Of A Novel Modular Mid-Infrared Sensor For The In-Situ Detection Of The Btex Compounds In Water, Raymond Mccue
Development Of A Novel Modular Mid-Infrared Sensor For The In-Situ Detection Of The Btex Compounds In Water, Raymond Mccue
Doctoral
This research thesis describes the design, construction and testing of a novel modular mid-infrared fibre optic sensing system for the detection of hydrocarbons in water. It is the adverse effects to these hydrocarbon pollutants on flora and fauna that has led to the development of sensing systems for their detection and quantification. The key sensor design feature, its modularity, utilises simple low cost commercially available optical components, which are inherently suited to construct compact rugged sensing systems to perform in-situ measurements which are ideally preferred for environmental sensing. The various laboratory-based prototypes constructed weee calibrated for two target analytes over …
Photofragmentation Dynamics Of Core-Excited Water By Anion-Yield Spectroscopy, Wayne C. Stolte, M. M. Sant'anna, Gunnar Ohrwall, Maria Novella Piancastelli, I. Dominguez-Lopez, Dennis W. Lindle
Photofragmentation Dynamics Of Core-Excited Water By Anion-Yield Spectroscopy, Wayne C. Stolte, M. M. Sant'anna, Gunnar Ohrwall, Maria Novella Piancastelli, I. Dominguez-Lopez, Dennis W. Lindle
Chemistry and Biochemistry Faculty Research
Partial-anion and- cation yields from H2O are presented for photon energies near the oxygen K edge. The O- yield exhibits a feature above threshold attributed to doubly excited states, in contrast to the H- and cation yields, which are nearly featureless above threshold. Additionally, the lack of the OH- fragment indicates radiative decay and provides a negligible amount of anion formation.
An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave
An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave
All HMC Faculty Publications and Research
Specific solvent effects on the electronic coupling element for electron transfer are examined using two model donor–acceptor systems (Zn2+ and Li2+) and several model “solvent” species (He, Ne, H2O, and NH3). The effects are evaluated relative to the given donor–acceptor pair without solvent present. The electronic coupling element (Hab) is found to depend strongly on the identity of the intervening solvent, with He atoms decreasing Hab, whereas H2O and NH3 significantly increase Hab. The distance dependence (essentially exponential decay) is weakly affected by a single intervening solvent atom–molecule. However, when the donor–acceptor distance increases in concert with addition of successively …