Professor Hsing-Yin Chen


Lab:Computational Quantum Chemistry Laboratory (Community Development Center 2F)

Tel: 886-7-3121101 ext. 2807

Fax: 886-7-3125339

Education and Experience:

  • B.S., Chemistry, Fu-Jen Catholic University, Taiwan (1991-1995)

  • Ph.D., Chemistry, Fu-Jen Catholic University, Taiwan (1995-2001)

  • Postdoctoral fellow, Institute of Chemistry, Academia Sinica, Taiwan (2002-2006)

  • Assistant professor, Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Taiwan (2006-2010)

  • Associate professor, Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Taiwan (2010/8-2015/1)

  • Professor, Department of Medicinal and Applied Chemistry, Kaohsiung Medical University, Taiwan (2015/1~)


Computational chemistry

Research Interests:

  • Properties of radical anions and cations of biologically relevant molecules.

  • Charge transport in organic materials.

  • Structures, energetics, and dynamics of molecular clusters.


  1. Meng-Chih Chang, Wei-Yi Lu, Heng-Yi Chang, Yi-Chun Lai, Michael Y. Chiang,* Hsing-Yin Chen,* Hsuan-Ying Chen,* “Comparative Study of Aluminum Complexes Bearing N,O- and N,S-Schiff Base in Ring-Opening Polymerization of e-Caprolactone and L-Lactide” Inorg. Chem. 2015, 54, 11292-
  2. Hsing-Yin Chen,* Po-Yu Yang, Hui-Fen Chen, Chai-Lin Kao, Li-Wenm Liao, “DFT Reinvestigation of DNA Strand Breaks Induced by Electron” J. Phys. Chem. B 2014, 118, 11137-
  3. Hsing-Yin Chen,* Hui-Fen Chen, Chai-Lin Kao, Po-Yu Yang, Sodio C. N. Hus, “Interaction of electrons with cisplatin and the subsequent effect on DNA damage: a density functional theory study” Phys. Chem. Chem. Phys. 2014, 16, 19290-
  4. Jaya Kishore Vandavasi, Wan-Ping Hu, Gopal Chandru Senadi, Siva Senthil Kumar Boominathan, Hsing-Yin Chen,* Jeh-Jeng Wang,* “A K2CO3-Mediated Regioselective Synthesis of Indole/Pyrrole-Fused1,4-Oxazines: An Unexpected Indole-Fused Azlactone Synthesis” Eur. J. Org. Chem. 2014, 6219-
  5. Hsiu-Wei Ou, Hsing-Yin Chen, His-Ching Tseng, Mon-Wei Hsiao, Yu-Lun Chang,Nai-Yuan Jheng, Yi-Chun Lai, Tzung-Yu Shih, Yu-Ting Lin, Hsuan-Ying Chen,* “Catalytic improvement of titanium complexes bearingbis(aminophenolate) in ring-opening polymerization of l-lactide ande-caprolactone” J. Mol. Catal. A: Chem. 2014, 394, 97-
  6. Kuan-Hua Lin, Yen-Ju Tseng, Bo-Wei Chen, Tsong-Long Hwang, Hsing-Yin Chen, Chang-Feng Dai, Jyh-Horng Sheu,* “Tortuosenes A and B, New Diterpenoid Metabolites from the Formosan Soft Coral Sarcophyton Tortuosum” Org. Lett. 2014, 16, 1314-
  7. Yu-Chih Su, Hsing-Yin Chen, Ni Chien Ko, Chi-Ching Hwang, Min Hui Wu, Li-Fang Wang, Yun-Ming Wang, Sheng-Nan Chang, Eng-Chi Wang,* Tzu-Pin Wang,* “Effective and site-specific phosphoramidation reaction for universally labeling nucleic acids” Anal. Biochem.2014, 449, 118-
  8. Nai-Chang Lo, Hsing-Yin Chen,* Wan-Jung Chuang, Chi-Yu Lu, Ping-Yu Chen, Po-Yu Chen,* “Anion Reduction Dominated Cathodic Limit of Metal-Free Ionic Liquid: Experimental and Theoretical Proofs” J. Phys. Chem. B 2013, 117, 13899-
  9. Hsing-Yin Chen, Wei-Te Peng, Ying-Hsien Lee, Yu-Lun Chang, Yen-Jen Chen, Yi-Chun Lai, Nai-Yuan Jheng, Hsuan-Yin Chen,* “Use of Base Control To Provide High Selectivity between Diaryl Thioether and Diaryl Disulfide for C-S Coupling Reactions of Aryl Halides and Sulfur and a Mechanistic Study” Organometallics 2013, 32, 5514-
  10. Adela Ya-Ting Huang, Ching-Hua Tsai, Hsing-Yin Chen, Hui-Ting, Chen, Chi-Yu Lu, Yu-Ting Lin, Chai-Lin Kao,* “Concise solid-phase synthesis of inverse poly(amidoamine) dendrons using AB2 building blocks” Chem. Commun. 2013, 49, 5784-
  11. Sodio, C. N. Hsu, Tzu-Pin Wang, Chai-Lin Kao, Hui-Fen Chen, Po-Yu Yang, and Hsing-Yin Chen,* “Theoretical Study of the Protonation of the One-Electron-Reduced Guanine-Cytosine Base Pair by Water” J. Phys. Chem. B 2013, 117, 2096-
  12. Yi-Hsun Chen, Troy T.Y. Lin, Hsuan-Ying Chen, Chai-Lin Kao, Hsing-Yin Chen, Sodio C.N. Hsu,* James R. Carey,* Michael Y. Chiang,* “A simple competition assay to probe pentacopper(I)-thiolato cluster ligand exchange” J. Inorg. Biochem. 2013, 120, 24-
  13. Sodio, C. N. Hsu,* Yu-Lun Chang, Wan-Jung Chuang, Hsing-Yin Chen,* I-Jung Lin, Michael Y. Chiang, Chai-Lin Kao, and Hsuan-Ying Chen, “Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]- Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site” Inorg. Chem. 2012, 51, 9297-
  14. Kwang-Ming Lee, Jack C. C. Chen, Hsing-Yin Chen,* and Ivan J. B. Lin,* “A triple helical structure supported solely by C-H…O hydrogen bonding” Chem. Commun. 2012, 48, 1242-
  15. Shuo-Li Sun, Yu-Lun Lo, Hsing-Yin Chen, and Li-Fang Wang,* “Hybrid Polyethylenimine and Polyacrylic Acid-Bound Iron Oxide as a Magnetoplex for Gene Delivery” Langmuir 2012, 28, 3542-
  16. Jaya Kishore Vandavasi, Wan-Ping Hu, Hsing-Yin Chen, Gopal Chandru Senadi, Chung-Yu Chen, and Jeh-Jeng Wang,* “A New Approach to 1,4-Oxazines and 1,4-Oxazepines via Base-Promoted Exo Mode Cyclization of Alkynyl Alcohols: Mechanism and DFT Studies” Org. Lett. 2012, 14, 3134-
  17. Tsun-Wei Shiue, Yen-Hao Chen, Chi-Ming Wu, Gyan Singh, Hsing-Yin Chen, Chen-Hsiung Hung, Wen-Feng Liaw, and Yun-Ming Wang,* “Nitric Oxide Turn-on Fluorescent Probe Based on Deamination of Aromatic Primary Monoamines” Inorg. Chem. 2012, 51, 5400-
  18. Hsing-Yin Chen,* Shu-Wen Yeh, Sodio C. N. Hsu, Chai-Lin Kao, and Teng-Yuan Dong, “Effect of nucleobase sequence on the proton-transfer reaction and stability of the guanine-cytosine base pair radical anion” Phys. Chem. Chem. Phys. 2011, 13, 2674-
  19. Pei-Chin Lin, Hsing-Yin Chen, Po-Yu Chen, Ming-His Chiang, Michael Y. Chiang, Ting-Shen Kuo, and Sodio C. N. Hsu,* “Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane” Inorg. Chem. 2011, 50, 10825-
  20. Pen-Wen Tseng, Chen-Yu Kung, Hsing-Yin Chen, and Chin-Hsing Chou,* “Syntheses and Pyrolyses of Furan Analogues of a-Oxo-o-quinodimethanes. Formation of Methylenecyclobutenone and 1-Buten-3-yne via a Vinylcarbene-Cyclopropene Rearrangement” J. Org. Chem. 2011, 76, 8440-
  21. Sodio C. N. Hsu,* Troy T. Y. Lin, Hsing-Yin Chen, Shih-Wei Chuo, Chai-Lin Kao, Po-Yu Chen, and Min-Yuan Hung, “Potassium-encapsulated arsenic-dithiolato compounds: Synthesis, structural calculation, and biological relevance” Kaohsiung Journal of Medical Sciences 2011, 27, 424-
  22. Elsie Khai-Woon Toh, Hsing-Yin Chen, Yu-Lun Lo, Shih-Jer Huang, Li-Fang Wang,* “Succinated chitosan as a gene carrier for improved chitosan solubility and gene transfection” Nanomedicine: Nanotechnology, Biology, and Medicine 2011, 7, 174-
  23. Ya-Hui Chang, Chiao-Yun Chen, Gyan Singh, Hsing-Yin Chen, Gin-Chung Liu, Yih-Gang Goan, Silvio Aime, and Yun-Ming Wang,* “Synthesis and Physicochemical Characterization of Carbon Backbone Modified [Gd(TTDA)(H2O)]2- Derivatives” Inorg. Chem. 2011, 50, 1275-
  24. Ju-Ling Lin, Chia-Nung Tsai, Sheng-Yi Huang, John F. Endicott,* Yuan-Jang Chen,* and Hsing-Yin Chen, “Nearest- and Next-Nearest-Neighbor Ru(II)/Ru(III) Electronic Coupling in Cyanide-Bridged Tetra-Ruthenium Square Complexes” Inorg. Chem. 2011, 50, 8274-
  25. Hsing-Yin Chen,* Sodio C. N. Hsu, and Chai-Lin Kao, “Microhydration of 9-Methylguanine:1-Methylcytosine Base Pair and Its Radical Anion: A density functional theory study” Phys. Chem. Chem. Phys. 2010, 12, 1253-
  26. Wan-Jung Chuang, I-Jung Lin, Hsing-Yin Chen, Yu-Lun Chang, and Sodio C. N. Hsu,* “Characterization of A New Copper(I)-Nitrito Complex That Evolves Nitric Oxide” Inorg. Chem. 2010, 49, 5377-
  27. Hsing-Yin Chen,* Chai-Lin Kao, and Sodio C. N. Hsu, “Proton Transfer in Guanine-Cytosine Radical Anion Embedded in B-Form DNA” J. Am. Chem. Soc. 2009, 131, 15930-
  28. Hsing-Yin Chen,* Po-Yu Young, and Sodio C. N. Hsu, “Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions” J. Chem. Phys. 2009, 130, 165101. (IF=3.044, ranking=5/32)
  29. Yu-Chen Lin, Wei-Tin Chen, Joe Tai, Denny Su, Sheng-Yi Huang, Ingrid Lin, Ju-Ling Lin, Mandy M. Lee, Mong Feng Chiou, Yen-Hsiang Liu, Ken-Shin Kwan, Yuan-Jang Chen,* and Hsing-Yin Chen, “Tuning Through-Bond Fe(III)/Fe(II) Coupling by Solvent Manipulation of a Central Ruthenium Redox Couple” Inorg. Chem. 2009, 48, 1857-
  30. Teng-Yuan Dong,* Shu-Fan Lin, Chiao-Pei Chen, Shu-Wen Yeh, Hsing-Yin Chen, Yuh-Sheng We, “Long-distance electronic interaction in a molecular wire consisting of a ferrocenyl-ethynyl unit bridging two [(h5-C5H5)(dppe)M] metal centers” 2009, 694, 1529-
  31. Sodio C.N. Hsu,* Yu-Chen Zheng, Hsing-Yin Chen, Min-Yuan Hung, Ting-Shen Kuo, Synthesis, characterization, and structural study of ironsulfur core {Cp2Fe2(l-SEt)2} complexes” J. Organomet. Chem. 2008, 693, 3035-
  32. Yu-Chang Chang, Yu-Da Chen, Chih-Hsin Chen, Yuh-Sheng Wen, Jiann T. Lin,* Hsing-Yin Chen, Ming-Yu Kuo, Ito Chao,* “Crystal Engineering forp-pStacking via Interaction between Electron-Rich and Electron-Deficient Heteroaromatics” J. Org. Chem. 2008, 73, 4608-
  33. Famil Valiyev, Wei-Shan Hu, Hsing-Yin Chen, Ming-Yu Kuo, Ito Chao,* Yu-Tai Tao,* “Synthesis and Characterization of Anthra[2,3-b]thiophene and Tetraceno[2,3-b]thiophenes for Organic Field-Effect Transistor Applications” Chem. Mater. 2007, 19, 3018-
  34. Ming-Yu Kuo, Hsing-Yin Chen, Ito Chao,* “Cyanation: Providing a Three-in-One Advantage for the Design of n-Type Organic Field-Effect Transistors” Chem. Eur. J. 2007, 13, 4750-
  35. Hsing-Yin Chen, Ito Chao,* “Toward Rational Design of Functionalized Pentacenes: Reduction of the Impact of Functionalization on Reorganization Energy” ChemPhysChem, 2006, 7, 2003-
  36. Hsing-Yin Chen, Ito Chao,* “Effect of perfluorination on the charge-transport properties of organic semiconductors: Density functional theory study of perfluorinated pentacene and sexithiophene” Chem. Phys. Lett. 2005, 401, 539-
  37. Hsing-Yin Chen,* Ito Chao,* “Ionization-Induced Proton Transfer in Model DNA Base Pairs: A Theoretical Study of the Radical ions of the 7-Azaindole Dimer” ChemPhysChem, 2004, 5, 1855-
  38. Tsong-Song Hwang, Ning Juan, Hsing-Yin Chen, Cheng-Chung Chen, Shih-Jung Lo, Ito Chao,* “Control of hydrogen-bond strengths via push-pull effects triggered by a remote reaction center: A theoretical study” Chem. Eur. J. 2004, 10, 1616-
  39. Hsing-Yin Chen, Wen-Shyan Sheu,* “Reply to the comment on ‘Iodine effect on the relaxation pathway of photoexcited I--
  40. Hsing-Yin Chen, Wen-Shyan Sheu,* “Theoretical ab initio study of water trimer anion: Ground and excited states” J. Chem. Phys. 2001, 115, 10678-
  41. Hsing-Yin Chen, Wen-Shyan Sheu,* “Iodine effect on the relaxation pathway of photoexcited I--
  42. Hsing-Yin Chen, Wen-Shyan Sheu,* “Precursors of the charge-transfer-to-solvent states in I--
  43. Hsing-Yin Chen, Wen-Shyan Sheu,* “Dipole-bound anion of water dimer: Theoretical ab-initio study” J. Chem. Phys. 1999, 110, 9032-
  44. Wen-Shyan Sheu,* Hsing-Yin Chen, “Particle distribution of a one-dimensional imperfect annihilation reaction in the gas phase” J. Chem. Phys. 1998, 108, 8394-


  1. Hsing-Yin Chen,* “Theoretical Study on the Protonation of One-Electron Reduced Guanine-Cytosine Base Pair by Water” 1st International Conference on Material Chemistry: Theoretical, Computational and Experimental Perspectives, Taipei, Taiwan, 2012.
  2. Hsing-Yin Chen* and Sodio C. N. Hsu, “Electronic Effect on Copper(I)-Nitro Complexes for Mimicking Copper Nitrite Reductase-A Contribution from DFT Studies” The 5th Cross-Strait Theoretical and Computational Chemistry Conference, Xian, China, 2012.
  3. Hsing-Yin Chen, “Estimating the energy of protonation of guanine-cytosine radical anion by water” The Fifth Asian-Pacific Conference of Theoretical and Computational Chemistry, Rotorua, New Zealand, 2011.
  4. Sodio C. N. Hsu and Hsing-Yin Chen, “Density functional theory study for the complex of cisplatin and 9-methylguanine:1-methylcytosine base pair and its electron adducts” The Fifth Asian-Pacific Conference of Theoretical and Computational Chemistry, Rotorua, New Zealand, 2011.
  5. Hsing-Yin Chen, “Proton Transfer in DNA Induced by Electron Attachment and Detachment” The 4th Cross-Strait Theoretical and Computational Chemistry Conference, Kinmen, Taiwan, 2011.
  6. Hsing-Yin Chen and Ito Chao, “Toward Rational Design of Functionalized Pentacenes” XIIth International Congress of Quantum Chemistry, Kyoto, Japan, 2006.


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