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Full-Text Articles in Physics

Sucralose Destabilization Of Protein Structure, Lee Chen, Nimesh Shukla, Inha Cho, Erin F. Cohn, Erika A. Taylor, Christina M. Othon Mar 2015

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 …


Sensitive And Ultra-Fast Species Detection Using Pulsed Cavity Ringdown Spectroscopy, Et-Touhami Es-Sebbar Mar 2015

Sensitive And Ultra-Fast Species Detection Using Pulsed Cavity Ringdown Spectroscopy, Et-Touhami Es-Sebbar

Dr. Et-touhami Es-sebbar

Pulsed cavity ringdown spectroscopy (CRDS) is used to develop a novel, ultra-fast, high-sensitivity diagnostic for measuring species concentrations in shock tube experiments. The diagnostic is demonstrated by monitoring trace concentrations of ethylene in the mid-IR region near 949.47 cm−1. Each ringdown measurement is completed in less than 1 μs and the time period between successive pulses is 10 μs. The high sensitivity diagnostic has a noise-equivalent detection limit of 1.08 x 10−5 cm−1 which enables detection of 15 ppm ethylene at fuel pyrolysis conditions (1845 K and 2 bar) and 294 ppb ethylene under ambient conditions (297 K and 1 …


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 Mar 2015

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 …


Plasmonics On The Slope Of Enlightenment: The Role Of Transition Metal Nitrides, U. Guler, A. Kildishev, A. Boltasseva, V. Shalaev Jan 2015

Plasmonics On The Slope Of Enlightenment: The Role Of Transition Metal Nitrides, U. Guler, A. Kildishev, A. Boltasseva, V. Shalaev

U. Guler

The key problem currently faced by plasmonics is related to material limitations. After almost two decades of extreme excitement and research largely based on the use of noble metals, scientists have come to a consensus on the importance of exploring alternative plasmonic materials to address application-specific challenges to enable the development of new functional devices. Such a change in motivation will undoubtedly lead to significant advancements in plasmonics technology transfer and could have a revolutionary impact on nanophotonic technologies in general. Here, we report on one of the approaches that, together with other new material platforms, mark an insightful technology-driven …


Second-Harmonic Generation At Oblique Angles In Photonic Bandgap Structures, Han Li Jan 2015

Second-Harmonic Generation At Oblique Angles In Photonic Bandgap Structures, Han Li

Han Li

No abstract provided.


The Sign Learning Kink (Silk) Based Quantum Monte Carlo (Qmc), Xiaoyao Ma, Frank Loffler, Randall W. Hall, Karol Kowalski, Mark Jarrell, Juana Moreno Dec 2014

The Sign Learning Kink (Silk) Based Quantum Monte Carlo (Qmc), Xiaoyao Ma, Frank Loffler, Randall W. Hall, Karol Kowalski, Mark Jarrell, Juana Moreno

Randall W. Hall

Purpose
The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is based on Feynman's path integral formulation of quantum mechanics, and can reduce the minus sign problem when calculating energies in atomic and molecular systems. The code requires as input the one and two electron integrals, which usually are computed using the NWChem package. Example input files are distributed with this package. The code also requires an parameter file, specifying run-time parameters such as input/output directories, or specific code parameters. For all example inputs a corresponding parameter file is distributed as well.

Systems
The code has been tuned …


Spin-Exchange Optical Pumping At High Xenon Densities And Laser Fluxes: Principles And Practice, Boyd M. Goodson, Nicholas Whiting, Hayley Newton, Jason G. Skinner, Kaili Ranta, Panayiotis Nikolaou, Michael J. Barlow, Eduard Y. Chekmenev Dec 2014

Spin-Exchange Optical Pumping At High Xenon Densities And Laser Fluxes: Principles And Practice, Boyd M. Goodson, Nicholas Whiting, Hayley Newton, Jason G. Skinner, Kaili Ranta, Panayiotis Nikolaou, Michael J. Barlow, Eduard Y. Chekmenev

Nicholas Whiting

Once limited to the realm of fundamental physics experiments, hyperpolarized (HP) noble gases have been exploited for a wide range of applications across NMR and MRI. In most cases, hyperpolarized noble gases are prepared by spin-exchange optical pumping (SEOP)...


Hyperpolarization Methods For Mrs, Boyd M. Goodson, Nicholas Whiting, Aaron M. Coffey, Panayiotis Nikolaou, Fan Shi, Brogan M. Gust, Maxwell E. Gemeinhardt, Roman Shchepin, Jason G. Skinner, Jonathan R. Birchall, Michael J. Barlow, Eduard Y. Chekmenev Dec 2014

Hyperpolarization Methods For Mrs, Boyd M. Goodson, Nicholas Whiting, Aaron M. Coffey, Panayiotis Nikolaou, Fan Shi, Brogan M. Gust, Maxwell E. Gemeinhardt, Roman Shchepin, Jason G. Skinner, Jonathan R. Birchall, Michael J. Barlow, Eduard Y. Chekmenev

Nicholas Whiting

This article covers the fundamental principles and practice of NMR hyperpolarization techniques, which are proving useful for in vivo magnetic resonance spectroscopy (MRS) studies of metabolism in animal models, and clinical trials with hyper-enhanced sensitivity. Fundamentally, hyperpolarization methods enhance nuclear spin polarization by orders-of-magnitude, resulting in concomitant improvement in NMR detection sensitivity. The hyperpolarization methods described here – dynamic nuclear polarization (DNP), para-hydrogen induced polarization (PHIP), signal amplification by reversible exchange (SABRE), and spin-exchange optical pumping (SEOP) – are capable of achieving nuclear spin polarization approaching the theoretical maximum of unity on nuclear spin sites of molecular or atomic agents …


Photodissociation Of Bulk Nitrobenzene At 250, 266, And 280 Nm Using A Picosecond Laser.Pdf, Chakree Tanjaroon, Christopher J. Lue, Scott Reeve, Susan D. Allen, J. Bruce Johnson Dec 2014

Photodissociation Of Bulk Nitrobenzene At 250, 266, And 280 Nm Using A Picosecond Laser.Pdf, Chakree Tanjaroon, Christopher J. Lue, Scott Reeve, Susan D. Allen, J. Bruce Johnson

Scott Reeve

No abstract provided.