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Articles 1 - 10 of 10
Full-Text Articles in Physical Sciences and Mathematics
Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly
Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly
Xianming Han
Measurements of rate coefficients for intramultiplet state transfer of Zn(4 3 P 1→4 3 P J’) by collisions with the rare gases are presented. The state‐to‐state binary rate coefficients are derived from least‐squares fittings of the time‐resolved triexponential behavior of the 4 3 P 1fluorescence. These rate coefficients were studied systematically over a temperature range of 690–1100 K in order to characterize the velocity dependence of the collisional coupling. The systematic behavior of the rate coefficients with varying temperature and noble gas species is qualitatively consistent with a nearly adiabatic coupling limit for noncrossing levels.
Lithium Bonding Interaction In H2Cy⋯Lif (Y=O,S) Complexes: A Theoretical Probe, Salai Cheettu Ammal, P. Venuvanalingam, S. Pal
Lithium Bonding Interaction In H2Cy⋯Lif (Y=O,S) Complexes: A Theoretical Probe, Salai Cheettu Ammal, P. Venuvanalingam, S. Pal
Salai C. Ammal
Ab initio calculations at 6-31++G(d,p) level have been done on H2CY⋯LiF (Y=O,S) complexes choosing ten possible orientations in each complex. The effect of correlation on complex binding energies has been studied via single point MP2 (full) calculations done on 6-31++G(d,p) geometry. Binding energies have been corrected for basis set superposition error. Frequency calculations confirm that H2CO⋯LiF and H2CS⋯LiF complexes have three and two stable forms, respectively. The most stable form in each complex has been found to have a strong lithium bonding interaction and a secondary hydrogen bondinginteraction. NBO analysis has revealed that in this form oxygen donates nσ lone …
Sucralose Destabilization Of Protein Structure, Christina M. Othon
Sucralose Destabilization Of Protein Structure, Christina M. Othon
Christina M Othon
Sucralose is a commonly employed artificial sweetener that behaves very differently than its natural disaccharide counterpart, sucrose, in terms of its interaction with biomolecules. The presence of sucralose in solution is found to destabilize the native structure of two model protein systems: the globular protein bovine serum albumin and an enzyme staphylococcal nuclease. The melting temperature of these proteins decreases as a linear function of sucralose concentration. We correlate this destabilization to the increased polarity of the molecule. The strongly polar nature is manifested as a large dielectric friction exerted on the excited-state rotational diffusion of tryptophan using time-resolved fluorescence …
Sucralose Destabilization Of Protein Structure.Pdf, Nimesh Shukla
Sucralose Destabilization Of Protein Structure.Pdf, Nimesh Shukla
Nimesh Shukla
No abstract provided.
Sucralose Destabilization Of Protein Structure, Lee Chen, Nimesh Shukla, Inha Cho, Erin F. Cohn, Erika A. Taylor, Christina M. Othon
Sucralose Destabilization Of Protein Structure, Lee Chen, Nimesh Shukla, Inha Cho, Erin F. Cohn, Erika A. Taylor, Christina M. Othon
Erika A. Taylor, Ph.D.
Sucralose is a commonly employed artificial sweetener that behaves very differently than its natural disaccharide counterpart, sucrose, in terms of its interaction with biomolecules. The presence of sucralose in solution is found to destabilize the native structure of two model protein systems: the globular protein bovine serum albumin and an enzyme staphylococcal nuclease. The melting temperature of these proteins decreases as a linear function of sucralose concentration. We correlate this destabilization to the increased polarity of the molecule. The strongly polar nature is manifested as a large dielectric friction exerted on the excited-state rotational diffusion of tryptophan using time-resolved fluorescence …
Epr Studies On The Mono- And Dicobalt(Ii)-Substituted Forms Of The Aminopeptidase From Aeromonas Proteolytica. Insight Into The Catalytic Mechanism Of Dinuclear Hydrolases, Brian Bennett, Richard C. Holz
Epr Studies On The Mono- And Dicobalt(Ii)-Substituted Forms Of The Aminopeptidase From Aeromonas Proteolytica. Insight Into The Catalytic Mechanism Of Dinuclear Hydrolases, Brian Bennett, Richard C. Holz
Richard C. Holz
The structure and function of the prototypical dinuclear hydrolase, namely, the aminopeptidase from Aeromonas proteolytica (AAP), was probed by EPR spectroscopy of the mono- and dicobalt(II)-substituted derivatives. A new systematic protocol for the interpretation of Co(II) EPR spectra is described and the S = 3/2 spin states of the Co(II)-substituted forms of the enzyme have been characterized. This protocol allows the simulation of line shape using theoretically allowed geff values corresponding to an isotropic greal value. In addition, the gross distortion of EPR spectra of high-spin S = 3/2 Co(II) ions has been investigated, and the effects of saturation on …
Importance And Reliability Of Small Basis Set Ccsd(T) Corrections To Mp2 Binding And Relative Energies Of Water Clusters, Berhane Temelso, Carla Renner, George Shields
Importance And Reliability Of Small Basis Set Ccsd(T) Corrections To Mp2 Binding And Relative Energies Of Water Clusters, Berhane Temelso, Carla Renner, George Shields
Berhane Temelso
MP2 describes hydrogen-bonded systems well, yet a higher-order electron correlation correction in the form of a CCSD(T) calculation is usually necessary to achieve benchmark quality energies. We evaluated the importance and reliability of small basis set CCSD(T) corrections to MP2(δCCSD(T)) both on the binding (ΔE) and relative (ΔΔE) MP2 energies for a large number of systems including four water dimer stationary points and 57 other clusters up to undecamers, (H2O)11. By comparing the MP2 energies with CCSD(T) and the explicitly correlated MP2-F12 energies with variants of CCSD(T)-F12 using different basis sets, we were able to establish that the correction to …
Inżynieria Chemiczna Ćw., Wojciech M. Budzianowski
Tematyka Prac Doktorskich, Wojciech M. Budzianowski
Tematyka Prac Doktorskich, Wojciech M. Budzianowski
Wojciech Budzianowski
No abstract provided.
Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski
Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski
Wojciech Budzianowski
No abstract provided.