Tsai, Hui-Hsu Gavin
Name Tsai, Hui-Hsu Gavin
Phone: (03) 4227151 ext. 65909
Professional field:
Physical Chemistry,
Computational Chemistry
Country School Name Department Degree
2010.08 ~ 2015.07
2005.01 ~ 2010.01
2002.01 ~ 2005.01
Personal Honor
Honor Category Year Award Name Awarding Unit
Inside School Honor 2015
Inside School Honor 2011
Inside School Honor 2011
Personal Research
Personal Journal
  1.  Tsai, H. H.; Lee, J. B.; Li, H. S.; Hou, T. Y.; Chu, W. Y.; Shen, P. C.; Chen, Y. Y.; Tan, C. J.; Hu, J. C.; Chiu, C. C., Geometrical Effects of Phospholipid Olefinic Bonds on the Structure and Dynamics of Membranes: A Molecular Dynamics Study. Biochim. Biophys. Acta 20151848, 1234-1247.
  2.  Tsai, H.-H. G.; Tan, C.-J.; Tseng, W.-H., Electron Transfer of Squaraine-Derived Dyes Adsorbed on Tio2clusters in Dye-Sensitized Solar Cells: A Density Functional Theory Investigation. J. Phys. Chem. C 2015119, 4431-4443. 
  3.  Tsai, H. H.; Chang, C. M.; Lee, J. B., Multi-Step Formation of a Hemifusion Diaphragm for Vesicle Fusion Revealed by All-Atom Molecular Dynamics Simulations. Biochim. Biophys. Acta 20141838, 1529-35.
  4.  Tsai, H. H.; Lee, J. B.; Shih, Y. C.; Wan, L.; Shieh, F. K.; Chen, C. Y., Location and Conformation of Amyloid Beta(25-35) Peptide and Its Sequence-Shuffled Peptides within Membranes: Implications for Aggregation and Toxicity in Pc12 Cells. ChemMedChem 20149, 1002-11.
  5. Ramanathan, M.; Tan, C. J.; Chang, W. J.; Tsai, H. H.; Hou, D. R., Synthesis of the Decalin Core of Codinaeopsin Via an Intramolecular Diels-Alder Reaction. Org Biomol Chem 201311, 3846-54.
  6.  Tsai, H. H.; Juang, W. F.; Chang, C. M.; Hou, T. Y.; Lee, J. B., Molecular Mechanism of Ca(2+)-Catalyzed Fusion of Phospholipid Micelles. Biochim. Biophys. Acta 20131828, 2729-38.
  7.  Tsai, H.-H.; Lee, J.-B.; Huang, J.-M.; Juwita, R., A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers. International Journal of Molecular Sciences 201314, 7702-7715.
  8.  Wu, C.-G.; Shieh, W.-T.; Yang, C.-S.; Tan, C.-J.; Chang, C.-H.; Chen, S.-C.; Wu, C.-Y.; Gavin Tsai, H.-H., Molecular Engineering of Cyclopentadithiophene-Containing Organic Dyes for Dye-Sensitized Solar Cell: Experimental Results Vs Theoretical Calculation. Dyes and Pigments 201399, 1091-1100.
  9.  Chen, C. Y.; Pootrakulchote, N.; Chen, M. Y.; Moehl, T.; Tsai, H. H.; Zakeeruddin, S. M.; Wu, C. G.; Gratzel, M., A New Heteroleptic Ruthenium Sensitizer for Transparent Dye-Sensitized Solar Cells. Adv Energy Mater 20122, 1503-1509.
  10.  Cheng, H.-Y.; Lin, Y.-S.; Sun, C.-S.; Shih, T.-W.; Tsai, H.-H. G.; Hou, D.-R., Ring-Closing Metathesis and Palladium-Catalyzed Formate Reduction to 3-Methyleneoxepanes. Formal Synthesis of (−)-Zoapatanol. Tetrahedron 201268, 747-753. 
  11.  Pan, Y.-C.; Gavin Tsai, H.-H.; Jiang, J.-C.; Kao, C.-C.; Sung, T.-L.; Chiu, P.-J.; Saikia, D.; Chang, J.-H.; Kao, H.-M., Probing the Nature and Local Structure of Phosphonic Acid Groups Functionalized in Mesoporous Silica Sba-15. J. Phys. Chem. C 2012116, 1658-1669.
  12.  Tsai, H. H.; Lai, W. X.; Lin, H. D.; Lee, J. B.; Juang, W. F.; Tseng, W. H., Molecular Dynamics Simulation of Cation-Phospholipid Clustering in Phospholipid Bilayers: Possible Role in Stalk Formation During Membrane Fusion. Biochim. Biophys. Acta 20121818, 2742-55.
  13.  Wu, C.-G.; Chung, M.-F.; Tsai, H.-H. G.; Tan, C.-J.; Chen, S.-C.; Chang, C.-H.; Shih, T.-W., Fluorene-Containing Organic Photosensitizers for Dye-Sensitized Solar Cells. ChemPlusChem 201277, 832-843.
  14.  Chen, C. Y.; Pootrakulchote, N.; Hung, T. H.; Tan, C. J.; Tsai, H. H.; Zakeeruddin, S. M.; Wu, C. G.; Gratzel, M., Ruthenium Sensitizer with Thienothiophene-Linked Carbazole Antennas in Conjunction with Liquid Electrolytes for Dye-Sensitized Solar Cells. J. Phys. Chem. C 2011115, 20043-20050.
  15.  Tsai, H. H.; Chiu, P. J.; Jheng, G. L.; Ting, C. C.; Pan, Y. C.; Kao, H. M., Synthesis and Solid-State Nmr Characterization of Cubic Mesoporous Silica Sba-1 Functionalized with Sulfonic Acid Groups. J. Colloid Interface Sci. 2011359, 86-94.
  16.  Li, J.-Y.; Chen, C.-Y.; Chen, J.-G.; Tan, C.-J.; Lee, K.-M.; Wu, S.-J.; Tung, Y.-L.; Tsai, H.-H.; Ho, K.-C.; Wu, C.-G., Heteroleptic Ruthenium Antenna-Dye for High-Voltage Dye-Sensitized Solar Cells. Journal of Materials Chemistry 201020, 7158-7164.
  17.  Li, J.-Y.; Chen, C.-Y.; Lee, C.-P.; Chen, S.-C.; Lin, T.-H.; Tsai, H.-H.; Ho, K.-C.; Wu, C.-G., Unsymmetrical Squaraines Incorporating the Thiophene Unit for Panchromatic Dye-Sensitized Solar Cells. Org. Lett. 201012, 5454-5457.
  18.  Liu, S. W.; Hsu, H. C.; Chang, C. H.; Tsai, H. H. G.; Hou, D. R., Asymmetric Synthesis of (–)-Lentiginosine by Double Aza-Michael Reaction. Eur. J. Org. Chem. 20102010, 4771-4773.
  19.  Tsai, C.-W.; Liu, C.-I.; Chan, Y.-C.; Tsai, H.-H. G.; Ruaan, R.-C., Study of Conformation Effects on the Retention of Small Peptides in Reversed-Phase Chromatography by Thermodynamic Analysis and Molecular Dynamics Simulation. J. Phys. Chem. B 2010114, 11620-11627.
  20.  Tsai, H. H.; Lee, J. B.; Tseng, S. S.; Pan, X. A.; Shih, Y. C., Folding and Membrane Insertion of Amyloid-Beta (25-35) Peptide and Its Mutants: Implications for Aggregation and Neurotoxicity. Proteins 201078, 1909-25.
  21.  Tsai, H.-H. G.; Sun, H.-L. S.; Tan, C.-J., Td-Dft Study of the Excited-State Potential Energy Surfaces of 2-(2'hydroxyphenyl)Benzimidazole and Its Amino Derivatives. J. Phys. Chem. A 2010114, 4065-4079.
  22. Pan, Y.-C.; Wu, H.-Y.; Kao, C.-C.; Kao, H.-M.; Shieh, Y.-N.; Fey, G. T. K.; Chang, J.-H.; Tsai, H.-H. G., Model System for Solid-State Nmr Study on Co-Condensation Behavior of Silicon Precursors in Periodic Mesoporous Organosilicas. J. Phys. Chem. C 2009113, 18251-18258.
  23.  Kao, H.-M.; Chiu, P.-J.; Jheng, G.-L.; Kao, C.-C.; Tsai, C.-T.; Tsai, H.-H. G.; Chou, Y.-K., Oxidative Transformation of Thiol Groups to Disulfide Bonds in Mesoporous Silicas: A Diagnostic Reaction for Probing Distribution of Organic Functional Groups. New J. Chem. DOI: 10.1039/b9nj00389d 200933, 2199-2203.
  24.  Yang, J.-S.; Yan, J.-L.; Liau, K.-L.; Tsai, H.-H. G.; Hwang, C.-Y., Substituent Effect on the Ground- and Excited-State Torsional Motions of Pentiptycene-Derived 1,4-Bis(Phenylethynyl)Benzenes. J. Photochem. Photobiol. A: Chem. 2009207, 38-46. 
  25.  Tsai, H. H. G.; Chou, L. C.; Lin, S. C.; Sheu, H. S.; Lai, C. K., Heterocyclic Columnar Hexacatenar Bisthiazoles. Tetrahedron Lett. 200950, 1906-1910.
  26.  Tsai, C.-W.; Hsu, N.-Y.; Wang, C.-H.; Lu, C.-Y.; Chang, Y.; Tsai, H.-H. G.; Ruaan, R.-C., Coupling Molecular Dynamics Simulations with Experiments for the Rational Design of Indolicidin-Analogous Antimicrobial Peptides. J. Mol. Biol. 2009392, 837-854.
  27. Pan, Y.-C.; Wu, H.-Y.; Jheng, G.-L.; Tsai, H.-H. G.; Kao, H.-M., Ordered and Hydrothermally Stable Cubic Periodic Mesoporous Organosilicas with Sba-1 Mesostructures: Synthesis, Characterization, Solid-State Nmr Spectroscopy, and Dft Calculations. J. Phys. Chem. C 2009113, 2690-2698.
  28.  Tsai, H. H. G.; Jheng, G. L.; Kao, H. M., Direct Evidence for Interactions between Acidic Functional Groups and Silanols in Cubic Mesoporous Organosilicas. J. Am. Chem. Soc. 2008130, 11566-+.
  29.  Tsai, H. H.; Chung, M. W.; Chou, Y. K.; Hou, D. R., Interplay of Hydrogenation and Dehydrogenation in Isoindoline and Indoline Isomers: A Density Functional Theory Study. The journal of physical chemistry. A 2008112, 5278-85. 9-14119.
  30.  Hou, D. R.; Wang, M. S.; Chung, M. W.; Hsieh, Y. D.; Tsai, H. H. G., Formation of 4,5,6,7-Tetrahydroisoindoles by Palladium-Catalyzed Hydride Reduction. Journal of Organic Chemistry 200772, 9231-9239. le:normal'>128, 14109-14119.
  31.  Yang, J. S.; Yan, J. L.; Hwang, C. Y.; Shih, Y.; Chiou; Liau, K. L.; Tsai, H. H. G.; Lee, G. H.; Peng, S. M., Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(P-Phenyleneethynylene)S. J. Am. Chem. Soc. 2006128, 14109-14119.
  32.  Tsai, H. H.; Gunasekaran, K.; Nussinov, R., Sequence and Structure Analysis of Parallel Beta Helices: Implication for Constructing Amyloid Structural Models. Structure 200614, 1059-1072.
  33.  Haspel, N.; Wainreb, G.; Inbar, G.; Tsai, H.-H.; Tsai, C.-J.; Wolfson, H.; Nussinov, R., A Hierarchical Protein Folding Scheme Based on the Building Block Folding Model. In Protein Folding Protocols. In Methods Mol. Biol.2006; Vol. 350, p 789.
  34.  Tsai, H. H.; Reches, M.; Tsai, C. J.; Gunasekaran, K.; Gazit, E.; Nussinov, R., Energy Landscape of Amyloidogenic Peptide Oligomerization by Parallel-Tempering Molecular Dynamics Simulation: Significant Role of Asn Ladder. Proc. Natl. Acad. Sci. U. S. A. 2005102, 8174-8179.
  35.  Haspel N.; Zanuy D.; Tsai H.-H.; Ma B.; Wolfson H.; R., N., Computational Approaches and Tools for Establishing Structural Models for Short Amyloid-Forming Peptides. In Amyloid Proteins, J.D., S., Ed. Wiley VCH Lerlag: Weinheim:, 2005; Vol. 1, pp 301-318.
  36.  Tsai, H. H.; Zanuy, D.; Haspel, N.; Gunasekaran, K.; Ma, B. Y.; Tsai, C. J.; Nussinov, R., The Stability and Dynamics of the Human Calcitonin Amyloid Peptide Dfnkf. Biophys. J. 200487, 146-158. 
  37.  Tsai, H. H.; Tsai, C. J.; Ma, B. Y.; Nussinov, R., In Silico Protein Design by Combinatorial Assembly of Protein Building Blocks. Protein Science 200413, 2753-2765. 
  38.  Tsai, H. H.; Simpson, M. C., Isolated Impact of Ruffling on the Vibrational Spectrum of Ni Porphyrins. Diagnosing out-of-Plane Distortions. J. Phys. Chem. A 2004108, 1224-1232. 
  39.  Tsai, H. H.; Simpson, M. C., Hbff-Svd Force Field Treatment of Ni(Ii) Porphine: Important Long Range Cross Terms. J. Phys. Chem. A 2003107, 526-541. 
  40.  Tsai, H. H.; Simpson, M. C., The Role of Frontier Molecular Orbital Ordering on Electronic Communication in Porphyrin Arrays. Chem. Phys. Lett. 2002353, 111-118.