A5100610739- Metamaterials and Metasurfaces Applications
- Advanced Antenna and Metasurface Technologies
- Antenna Design and Analysis
- Computational Drug Discovery Methods
- Plasmonic and Surface Plasmon Research
- Advanced Photocatalysis Techniques
- Copper-based nanomaterials and applications
- Protein Structure and Dynamics
- SARS-CoV-2 and COVID-19 Research
- Nanocluster Synthesis and Applications
- Gas Sensing Nanomaterials and Sensors
- Advanced Chemical Physics Studies
- Inorganic Chemistry and Materials
- Photonic Crystals and Applications
- Catalytic Processes in Materials Science
- Natural Fiber Reinforced Composites
- Energy Harvesting in Wireless Networks
- Transition Metal Oxide Nanomaterials
- Thermal Radiation and Cooling Technologies
- ZnO doping and properties
- Synthesis and biological activity
- Monoclonal and Polyclonal Antibodies Research
- Geological and Geophysical Studies
- Geological formations and processes
- Graphene research and applications
Hanoi University of Pharmacy
2023-2025
Vietnam Academy of Science and Technology
2015-2024
Massachusetts Institute of Technology
2024
Thurrock Community Hospital
2024
Centre National de la Recherche Scientifique
2014-2023
Institute of Materials Science
2001-2023
Laboratoire Modélisation et Simulation Multi-Echelle
2016-2023
University of Information Technology
2022-2023
Laboratoire Navier
2016-2022
Thu Dau Mot University
2020-2022
The N-methylation of amines with methanol in aqueous solution was proposed and accomplished by using a water-soluble metal–ligand bifunctional dinuclear iridium catalyst. In the presence [(Cp*IrCl)2(thbpym)][Cl]2 (1 mol %), range desirable products were obtained high yields under environmentally benign conditions. Notably, this research exhibited potential transition metal-catalyzed activation as C1 source for construction C–N bond solution.
A ruthenium complex [(p-cymene)Ru(2,2′-bpyO)(H2O)] was found to be a general and efficient catalyst for the N-methylation of amines with methanol in presence carbonate salt. Moreover, series sensitive substituents, such as nitro, ester, cyano, vinyl groups, were tolerated under present conditions. It confirmed that OH units ligand are crucial catalytic activity. Notably, this research exhibited potential metal–ligand bifunctional catalysts hydrogen autotransfer process.
Abstract AutoDock Vina (Vina) achieved a very high docking‐success rate, , but give rather low correlation coefficient, for binding affinity with respect to experiments. This can be an obstacle ranking of ligand‐binding affinity, which is the main objective docking simulations. In this context, we evaluated dependence R coefficient upon its empirical parameters. affected more by changing gauss2 and rotation than other terms. The rate sensitive alterations gauss1, gauss2, repulsion, hydrogen...
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been causing the COVID-19 pandemic, resulting in several million deaths being reported. Numerous investigations have carried out to discover a compound that can inhibit biological activity of SARS-CoV-2 main protease, which is an enzyme related viral replication. Among these, PF-07321332 (Nirmatrelvir) currently under clinical trials for therapy. Therefore, this work, atomistic and electronic simulations were performed...
Developing highly efficient and durable hydrogen evolution reaction (HER) electrocatalysts is crucial for addressing the energy environmental challenges. Among 2D-layered chalcogenides, MoSe2 possesses superior features HER catalysis. The van der Waals attractions high surface energy, however, stack layers, resulting in a loss of edge active catalytic sites. In addition, suffers from low intrinsic conductivity weak electrical contact with To overcome issues, this work presents novel...
VP39, an essential 2′-O-RNA methyltransferase enzyme discovered in Monkeypox virus (MPXV), plays a vital role viral RNA replication and transcription. Inhibition of the may prevent replication. In this context, using combination molecular docking dynamics (MDs) simulations, inhibitory ability NCI Diversity Set VII natural compounds to VP39 protein was investigated. It should be noted that computed binding free energy ligand via linear interaction (LIE) approaches are good agreement with...
Abstract Extrusion tectonics forced by plate collisions shape continents not only through lateral terrain displacement and mountain building but also massive rifting basin development. The rift system underneath the Gulf of Tonkin, Vietnam, constitutes a world‐class example how extrusion drives continental transtensional Rifting Song Hong Beibuwan Basin evolution are compared with development Ailao Shan‐Red River Shear Zone (ASRRSZ) that accommodated Indochina Indian‐Eurasia collision....
Determination of the ligand‐binding affinity is an extremely interesting problem. Normally, free energy perturbation (FEP) method provides appropriate result. However, it great interest to improve accuracy and precision this method. In context, temperature replica exchange molecular dynamics implementation FEP computational approach, which we call (REP) was proposed. particular, during REP simulations, system can easily escape from being trapped in local minima by exchanging configurations...
A combination of Autodock Vina and FPL calculations suggested that<italic>periandrin V</italic>,<italic>penimocycline</italic>,<italic>cis-p-Coumaroylcorosolic acid</italic>,<italic>glycyrrhizin</italic>, and<italic>uralsaponin B</italic>are able to bind well SARS-CoV-2 Mpro.
Photonic nanojets can be created via a plane wave irradiation of multi-shaped mesoscale dielectric particles, and waist full-width at half-maximum (FWHM) smaller than the diffraction limit achieved in this process.In paper, photonic nanojet produced by pupil-masked 3D cuboid lens is numerically investigated under 532 nm wavelength wave.It found that not only able to produce with shorter FWHMs, but also increase its maximal intensity certain masking ratios on receiving surface.This phenomenon...
The use of nano-additives is widely recognized as a cheap and effective pathway to improve the performance lubrication by minimizing energy loss from friction wear, especially in diesel engines. In this work, simple scalable protocol was proposed fabricate graphene additive engine lubricant oil. Graphene nanoplates (GNPs) were obtained one-step chemical exfoliation natural graphite successfully modified with surfactant an organic compound obtain GNP additive, that can be facilely dispersed...
Synthesizing novel photocatalysts that can effectively harvest photon energy over a wide range of the solar spectrum for practical applications is vital. Porphyrin-derived nanostructures with properties similar to those chlorophyll have emerged as promising candidates meet this requirement. In study, tetrakis(4-carboxyphenyl) porphyrin (TCPP) nanofibers were formed on surface ZnO nanoparticles using simple self-assembly approach. The obtained ZnO/TCPP nanofiber composites characterized via...
Abstract Electrically tunable graphene‐metal metasurfaces with controllable optical properties have attracted interest for straightforward manipulation of free space light. Their resonance tuning range depends on graphene's electrical transport characteristics, which are affected by its quality, operating conditions, and the device design. An important example latter is direct contact metallic antennas graphene layer that limits extent to a bias voltage can tune metasurface's permittivity....
We study the geometric structure and thermodynamic stability of Mo3Se132-@TM atomic clusters (TM = Sc, Ti, V, Cr, Mn, Fe, Co Ni) using B3LYP/LanL2DZ level within density functional theory. The presence transition metal in Mo3Se132- enhances mobility (Se-Se) terminals. Transition atoms preferentially attach to sites, which forms maximum number bonds with Se atoms. Dissociation energy entropy gradient analysis points out favor dissociate along two channels create either Se-TM or molecules....