Identification of key residues in protein functional movements by using molecular dynamics simulations combined with a perturbation-response scanning method

The realization of protein functional movement is usually accompanied by specific conformational changes,and there exist some key residues that mediate and control the functional motions of proteins in the allosteric process.In the present work,the perturbation-response scanning method developed by our group was combined with the molecular dynamics(MD)simulation to identify the key residues controlling the functional movement of proteins.In our method,a physical quantity that is directly related to protein specific function was introduced,and then based on the MD simulation trajectories,the perturbation-response scanning method was used to identify the key residues for functional motions,in which the residues that highly correlated with the fluctuation of the function-related quantity were identified as the key residues controlling the specific functional motions of the protein.Two protein systems,i.e.,the heat shock protein 70 and glutamine binding protein,were selected as case studies to validate the effectiveness of our method.Our calculated results are in good agreement with the experimental results.The location of the key residues in the two proteins are similar,indicating the similar mechanisms behind the performance of their biological functions.

Scanning paths for estimating sound power of noise sources by sound intensity scanning method

A mathematical model of deterndulng sound power by using the scanning method is developed. It is assumed that the scanning speed is constant and the noise source is stationary The accuracy of estimating sound power along some simple paths on the surfaces such as rectangle, disc and hemisphere is analyzed. It is argued that the accuracy of estimating sound power is strongly depended on a suitable selection of scan path. The accurate estdriation of sound power can be made by scanning along some simple paths.

ANALYSIS OF HUMAN PLACENTA BY ^(31)P NUCLEAR MAGNETIC RESONANCE AND THIN-LAYER CHROMATOGRAPHY SCANNING COMBINED WITH THE CORRECTIVE METHOD OF ABSORBANCE PROPORTIONAL COEFFICIENT

Five phospholipids in human placenta were determined by phosphorus 31 nuclear magnetic resonance(^(31)P NMR)spectroscopy and thin-layer chromatography(TLC) scanning combined with the corrective method of absorbance proportional coefficient. The NMR spectrometer used this investigation was a Bruker AM-500 spectrometer operating at 202.4 MHz for ^(31)P chemical shifts are relative to 85% phosphoric acid. TIC was carried out by silica gel H plate developed in chloroform-methanol-glacial acetic acid-ethanol-water(25:4:6:2:0.5),with Vaskovsky reagent as colour -developing agent of phospholipids.

Tip-Nanoparticle Near-Field Coupling in Scanning Near-Field Microscopy by Coupled Dipole Method

We use the couple dipole method to investigate the scanning near-field optical microscopy metallic tip-nanoparticle near-field interaction. Dependences of the local field intensity inside the nanoparticle on the nanosized tip shape,the tip open angle and the illumination angle are revealed. In combination with the previous results, we establish a complete model to understand the tip-nanoparticle near-field coupling mechanism.

Experimental Research on the Millimeter-Scale Distribution of Oil in Heterogeneous Reservoirs

Oil saturation is a critical parameter when designing oil field development plans.This study focuses on the change of oil saturation during water flooding.Particularly,a meter-level artificial model is used to conduct relevant experiments on the basis of similarity principles and taking into account the layer geological characteristics of the reservoir.The displacement experiment’s total recovery rate is 41.35%.The changes in the remaining oil saturation at a millimeter-scale are examined using medical spiral computer tomography principles.In all experimental stages,regions exists where the oil saturation decline is more than 10.0%.The shrinkage percentage is 20.70%in the horizontal well production stage.The oil saturation reduction in other parts is less than 10.0%,and there are regions where the oil saturation increases in the conventional water flooding stage.

Acquisition,Pointing and Tracking System for Shipborne Space Laser Communication without Prior Information

A space laser communication acquisition,pointing and tracking(APT)system based on the beacon laser is designed without prior information.And then,a new target scanning method and a pointing and tracking algorithm are proposed.The target scanning mode is the round-trip triangular wave scanning,and it means that scanning track of the PAN-TILT platform follows the triangular wave repeatedly.For the pointing and tracking algorithm,the beacon laser is used as the auxiliary aiming light source.The position of the beacon laser in the viewfield of the complementary metal oxide semiconductor(CMOS)camera is calculated by the centroid algorithm.In order to realize the target tracking,the joint control method of the angle control and the angular velocity control is used.The simulation and experimental results show that the APT system can achieve full coverage scanning in the scanning area and capture the target in one scanning cycle successfully.After capturing the PAN-TILT platform,the pointing and tracking algorithm can track the PAN-TILT platform quickly and accurately,and the tracking accuracy is up to 0.22 mrad.

Scanning Hartmann test method and its application to lens aberration measurement

A scanning Hartmann test method is proposed and its measurement principle is described. The scanning Hartmann test setup is formed by modifying the Hartmann screen of the conventional Hartmann test setup. With the rotation of the scanning Hartmann screen and the improved hole arrangement, the whole information of the lens to be tested in the full aperture can be obtained. The measurement accuracy of the aberration is improved and the local error of the lens can be got. In the method, no change of the Hartmann screen is needed for measuring the lenses of different aperture sizes. Experimental results of aberration measurements of two lenses are given to verify the usefulness of the setup.