Engineering topics

Jain, Nitin

Publications and source records attributed to Jain, Nitin.

4 records

DOE OSTI2017

Dynamical Transition of Collective Motions in Dry Proteins

Water is widely assumed to be essential for protein dynamics and function. In particular, the well-documented “dynamical” transition at ~ 200 K , at which the protein changes from a rigid, nonfunctional form to a flexible, functional state, as detected in hydrogenated protein by incoherent neutron scattering, requires hydration. We report on coherent neutron scattering experiments on perdeuterated proteins and reveal that a transition occurs in dry proteins at the same temperature resulting primarily from the collective heavy-atom motions. Furthermore, the dynamical transition discovered is intrinsic to the energy landscape of dry proteins.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering

Protein function often depends on global, collective internal motions. However, the simultaneous quantitative experimental determination of the forms, amplitudes, and time scales of these motions has remained elusive. We demonstrate that a complete description of these large-scale dynamic modes can be obtained using coherent neutron-scattering experiments on perdeuterated samples. With this approach, a microscopic relationship between the structure, dynamics, and function in a protein, cytochrome P450cam, is established. The approach developed here should be of general applicability to protein systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Quasielastic neutron scattering in biology: Theory and applications

Neutrons scatter quasielastically from stochastic, diffusive processes, such as overdamped vibrations, localized diffusion and transitions between energy minima. In biological systems, such as proteins and membranes, these relaxation processes are of considerable physical interest. We review here recent methodological advances and applications of quasielastic neutron scattering (QENS) in biology, concentrating on the role of molecular dynamics simulation in generating data with which neutron profiles can be unambiguously interpreted. We examine the use of massively-parallel computers in calculating scattering functions, and the application of Markov state modeling. The decomposition of MD-derived neutron dynamic susceptibilities is described, and the use of this in combination with NMR spectroscopy. We discuss dynamics at very long times, including approximations to the infinite time mean-square displacement and nonequilibrium aspects of single-protein dynamics. Lastly, we examine how neutron scattering and MD can be combined to provide information on lipid nanodomains.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2011

Superlinear threshold detectors in quantum cryptography

We introduce the concept of a superlinear threshold detector, a detector that has a higher probability to detect multiple photons if it receives them simultaneously rather than at separate times. Highly superlinear threshold detectors in quantum key distribution systems allow eavesdropping the full secret key without being revealed. Here, we generalize the detector control attack, and analyze how it performs against quantum key distribution systems with moderately superlinear detectors. We quantify the superlinearity in superconducting single-photon detectors based on earlier published data, and gated avalanche photodiode detectors based on our own measurements. The analysis shows that quantum key distribution systems using detector(s) of either type can be vulnerable to eavesdropping. The avalanche photodiode detector becomes superlinear toward the end of the gate. For systems expecting substantial loss, or for systems not monitoring loss, this would allow eavesdropping using trigger pulses containing less than 120 photons per pulse. Such an attack would be virtually impossible to catch with an optical power meter at the receiver entrance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗