A5058320125- Chemical Reaction Mechanisms
- Virtual Reality Applications and Impacts
- Enzyme Structure and Function
- Analytical Chemistry and Chromatography
- Carbohydrate Chemistry and Synthesis
- Crystallography and molecular interactions
- Mobile Learning in Education
- Glycosylation and Glycoproteins Research
- Free Radicals and Antioxidants
- Mass Spectrometry Techniques and Applications
- Chemical Synthesis and Analysis
- Augmented Reality Applications
Hong Kong Polytechnic University
2001-2021
The promotion of spatial skills is essential in chemistry education. However, the process acquiring these can be monotonous if learning limited to memorization Newman projections or 3D molecular kits. Existing approaches using visualizing tools require physical models which limit activities within classroom. Augmented reality (AR) education allows students see actual compound representation a environment, inspect compounds from multiple viewpoints, and control interaction real-time any...
The potassium cation affinities (PCAs) of 136 ligands (20 classes) in the gas phase were established by hybrid density functional theory calculations (B3-LYP with 6-311+G(3df,2p) basis set). For these ligands, 70 experimental values are available for comparison. Except five specific PCA values-those phenylalanine, cytosine, guanine, adenine (kinetic-method measurement), and Me(2)SO (by high-pressure mass spectrometric equilibrium measurement)-our theoretical estimates excellent agreement...
By combining Monte Carlo conformational search technique with high-level density functional calculations, the geometry and energetics of K+ interaction glycylglycine (GG) alanylalanine (AA) were obtained for first time. The most stable K+-GG K+-AA complexes are in charge-solvated (CS) form bound to carbonyl oxygens peptide backbone, estimated 0 K binding affinities (ΔH0) 152 157 kJ mol−1, respectively. ion is close alignment molecular dipole moment vector ligand, that is, electrostatic...