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Title: Modeling the Mechano-Chemistry of NTPases

Abstract

This project is to develop theoretical framework for protein motors based on experimental data. Protein motors use chemical and electrochemical energies to perform mechanical work. Protein motors are machines of life. They are essential for many biological processes, including cell division, DNA transcription, replication, etc. Understanding the working mechanisms of protein motors has both scientific and medical/clinical significances, including revealing the physiological origins of certain diseases, designing of drugs against pathogens. Experiments with new techniques, especially recent advances in single molecule force measurements, have accumulated a large amount of experimental data that requires systematic theoretical analysis. We worked out a theoretical analysis on protein fluctuations to explain the recent single molecule experiment on dynamic disorders, proposed a new mechanism to explain mechanical signal propagation through the allosteric effect, a fundamental property of proteins, and examined the dynamic disorder effects on protein interaction networks. We also examined various theoretical formulations describing mechanical stress propagation in proteins, and derived mathematical formula for various approximate methods solving the mathematical equations.

Authors:
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
902335
Report Number(s):
UCRL-TR-228269
TRN: US200717%%546
DOE Contract Number:
W-7405-ENG-48
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; CELL DIVISION; DISEASES; DNA; FLUCTUATIONS; MOTORS; PATHOGENS; PROTEINS; SIMULATION; TRANSCRIPTION

Citation Formats

Xing, J. Modeling the Mechano-Chemistry of NTPases. United States: N. p., 2007. Web. doi:10.2172/902335.
Xing, J. Modeling the Mechano-Chemistry of NTPases. United States. doi:10.2172/902335.
Xing, J. Wed . "Modeling the Mechano-Chemistry of NTPases". United States. doi:10.2172/902335. https://www.osti.gov/servlets/purl/902335.
@article{osti_902335,
title = {Modeling the Mechano-Chemistry of NTPases},
author = {Xing, J},
abstractNote = {This project is to develop theoretical framework for protein motors based on experimental data. Protein motors use chemical and electrochemical energies to perform mechanical work. Protein motors are machines of life. They are essential for many biological processes, including cell division, DNA transcription, replication, etc. Understanding the working mechanisms of protein motors has both scientific and medical/clinical significances, including revealing the physiological origins of certain diseases, designing of drugs against pathogens. Experiments with new techniques, especially recent advances in single molecule force measurements, have accumulated a large amount of experimental data that requires systematic theoretical analysis. We worked out a theoretical analysis on protein fluctuations to explain the recent single molecule experiment on dynamic disorders, proposed a new mechanism to explain mechanical signal propagation through the allosteric effect, a fundamental property of proteins, and examined the dynamic disorder effects on protein interaction networks. We also examined various theoretical formulations describing mechanical stress propagation in proteins, and derived mathematical formula for various approximate methods solving the mathematical equations.},
doi = {10.2172/902335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Feb 21 00:00:00 EST 2007},
month = {Wed Feb 21 00:00:00 EST 2007}
}

Technical Report:

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  • Efforts have been made in this program to develop mechanochemical polishing technique for a number of materials and to determine the consequences of mechanochemically polished surfaces on the physical performance of ceramics. The objective of the mechanochemical polishing efforts is to produce scratch-and-damage-free surfaces by finding suitable soft abrasives that remove material from the workpiece through chemical reactions. Mechanochemical polishing effects were observed when hot-pressed and reaction bonded SI3N4 were polished with two oxides of iron, Fe2O3 and Fe3O4. Mechanochemicaly polished surfaces of Si3N4 were analyzed using the techniques of Auger electro spectroscopy, profilometry and interferometry. Data showing the effectsmore » of mechanochemical polishing on the strength of hot-pressed Si3N4 and on the adhesion of thin titanium films on this material have been obtained. Also preliminary efforts have been made to find suitable soft abrasives for mechanochemical polishing of GaAs, Spinel (MgO.A12O3) Sic, B4C,and partially stabilized ZrO2.« less
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