A5101429524- Crystallization and Solubility Studies
- Enzyme Structure and Function
- X-ray Diffraction in Crystallography
- Protein Structure and Dynamics
- Mass Spectrometry Techniques and Applications
- DNA and Nucleic Acid Chemistry
- Material Dynamics and Properties
- Phase Equilibria and Thermodynamics
- Extraction and Separation Processes
- Advancements in Battery Materials
- Carbon and Quantum Dots Applications
- X-ray Spectroscopy and Fluorescence Analysis
- Electric and Hybrid Vehicle Technologies
- Nanocluster Synthesis and Applications
- Recycling and Waste Management Techniques
- Metabolomics and Mass Spectrometry Studies
- Iron and Steelmaking Processes
- Micro and Nano Robotics
- Dyeing and Modifying Textile Fibers
- Anaerobic Digestion and Biogas Production
- Pigment Synthesis and Properties
- Quantum, superfluid, helium dynamics
- Polyoxometalates: Synthesis and Applications
- Advanced Nanomaterials in Catalysis
- Fuel Cells and Related Materials
Anhui University of Technology
2023-2024
Mianyang Normal University
2019-2023
Qiannan Normal College For Nationalities
2022
North China University of Science and Technology
2022
University of Chinese Academy of Sciences
2017-2019
Institute of Physics
2019
Chinese Academy of Sciences
2004-2019
Tsinghua University
2011-2015
Ocean University of China
2013
Jilin Medical University
2013
While the effectiveness of PEGylation in enhancing stability and potency protein pharmaceuticals has been validated for years, underlying mechanism remains poorly understood, particularly at molecular level. A dynamics simulation was developed using an annealing procedure that allowed all-atom level examination interaction between PEG polymers different chain lengths a conjugated represented by insulin. It shown became entangled around surface through hydrophobic concurrently formed hydrogen...
Anomalous scattering with soft X-ray radiation opens new possibilities in phasing for macromolecular crystallography. from S atoms collected on an in-house chromium source (lambda = 2.29 A) was used to phase the diffraction data of thaumatin (22 kDa) and trypsin (24 crystals. The contribution anomalous term, Deltaf" 1.14 e(-), sulfur Cr Kalpha is doubled compared that Cu radiation, 0.56 e(-). direct-methods programs RANTAN or SHELXD successfully found positions using sets resolution limited...
Abstract Two 4-ns molecular dynamics simulations of calcium loaded calmodulin in solution have been performed, using both standard nonbonded cutoffs and Ewald summation to treat electrostatic interactions. Our simulation results are generally consistent with experimental studies structure dynamics, including NMR, cross-linking, fluorescence x-ray scattering. The most interesting result the is detection large-scale structural fluctuations solution. globular N- C-terminal domains tend move...
Sulfur single-wavelength anomalous dispersion (S-SAD) and halide-soaking methods are increasingly being used for ab initio phasing. With the introduction of in-house Cr X-ray sources, these benefit from enhanced scattering S halide atoms, respectively. Here, were combined to determine crystal structure BsDegV, a DegV protein-family member Bacillus subtilis. The protein was cocrystallized with bromide low-redundancy data collected 2.5 A resolution using Kalpha radiation. 17 heavy-atom sites...
Herein, a novel nitr[ogen-doped carbon dot (N-CD) fluorescence sensor with dual emission ratio is developed using the microwave-assisted synthesis of m-phenylenediamine and spermidine. As result inner filtration effect (IFE) between morphine (MOR) N-CD, blue N-CDs at 350 nm was reduced in presence MOR, whereas 456 increased substantially. The results demonstrated that approach has tremendous potential linear range MOR detection 0.25-25 µg/mL, 71.8 ng/mL limit. Under UV light, fluorescent...
A 4-ns molecular dynamics simulation of calcium-free calmodulin in solution has been performed, using Ewald summation to treat electrostatic interactions. Our results were mostly consistent with experimental studies, including NMR, fluorescence and x-ray scattering. The secondary structures within the N- C-terminal domains conserved simulation, trajectory similar NMR-derived model structure 1CFD. However, relative orientations domains, for which there are no NMR restraints, differed details...
Abstract We have performed an 4-ns MD simulation of calmodulin complexed with a target peptide in explicit water, under realistic conditions constant temperature and pressure, the presence physiological concentration counterions using Ewald summation to avoid truncation long-range electrostatic forces. During system tended perform small fluctuations around structure similar to, but somewhat looser than starting crystal structure. The calmodulin-peptide complex was quite rigid did not exhibit...
Recently, the demands of high-throughput macromolecular crystallography have driven continuous improvements in phasing methods, data-collection protocols and many other technologies. Single-wavelength anomalous scattering (SAS) with chromium X-ray radiation opens a new possibility for protein data collected in-house has led to several successful examples de novo structure solution using only weak scatterers such as sulfur. To further reduce time make SAS more robust, it is natural combine...
The anomalous signal of S atoms is easily detected at the Cu Kalpha wavelength a non-synchrotron source with current data-collection methods. position sulfur and other scatterers can be located through an difference Fourier map (F+ - F-, phi(calc) 90 degrees). It has been discovered experimentally that even low-quality preliminary phases are often sufficient to find scatterers. Their in native crystal contribute significant improvement phase refinement. This technique applied solve...
We employ multiple order parameters to analyze the local structure of liquid water obtained from all-atom simulations, and accordingly identify three types molecules in water. In addition well-known low-density-liquid high-density-liquid molecules, newly identified third type possesses an ultra-high density over-coordinated H-bonds. The existence this decreases probability transition increases reverse one.
Active matter exhibits many intriguing non-equilibrium characteristics, for instance, without any attractive and aligned interactions, the active Brownian particle (ABP) system undergoing motility-induced phase separation forms a high-density with both structural ordering dynamical coherence. Recently, velocity correlation among particles in this was found non-thermal overdamped ABP systems. However, it seemed to disappear if thermal noises were included, bringing some confusion about...
Direct interaction between carbon dots (CDs) and biomolecules leads to changes in the chemical physical status as well properties of CDs, which can have various biological biomedical applications. In this work, surface CDs was modified with cetylpyridinium chloride (CPC) facilitate interactions biomolecules. Multiple fluorescence response behaviours CPC-based were observed towards several proteins (bovine serum albumin, lysozyme, protamine, hemoglobin) bacterial cells (Escherichia coli...
Abstract The interaction between polyoxometalate (POM) of Keggin class (K5SiW11O39Co) and human basic fibroblast growth factor (bFGF) was studied by fluorescence CD spectra. results indicate that the binding POM to bFGF causes conformational changes bFGF. cell proliferation assay showed in lower molar ratios, stimulates mitogenic activity bFGF; higher inhibits
The debate over whether the structure of liquid water is homogeneous or mixed with a variety structures has been going on for more than one century. With discovery different amorphous ices and advances in computer technology, mixture model gaining attention. In this paper, latest progress experiment simulation local introduced firstly. Secondly, principal component analysis used to study water’s Raman spectra tetrahedral-order distributions. We find that both distributions can be obtained by...
Nowadays, although our understanding on liquid water have lots of progresses due to the development experimental tools and computer simulation techniques, molecular level structure water, its heterogeneity, is still elusive. In end nineteenth century, Rntgen proposed that a mixture two complexes, which cannot be confirmed by experiments at time. middle twentieth Bernal his followers regarded as random tetrahedral network, was widely accepted most scientists. With science discovery several...
Coordinated engine control is an essential technology to improve shift quality. The influence of wet clutches’ towing torque in TC+AMT on synchronization process analyzed, and a coordinated speed strategy proposed. Wet AMT simulation models as well the controller are developed by using MATLAB/Simulink. Finally shifting with clutches under carried out. results show that can be used reduce time, energy wear tear synchronizer improving