52. Chen, L.; Wang, X.-L.; Shi, T.; Wu, T.; Deng, Z.; Zhao, YL* (2015) “Theoretical Study on the Relationship between Rp-Phosphorothioation and Base-Step in S-DNA: Based on Energetic and Structural Analysis”. J. Phys. Chem. B, 119, 474–481.

51. Liu, K.; Wen, Y.; Shi, T.; Li, Y.; Li, F.; Zhao, YL; Huang C.; Yi T. (2014) “DNA Gated Photochromism and Florescent Switch in a Thiazole Orange Modified Diarylethene”. Chem. Comm., 50, 9141-9144.

50. Pan, T.; Sun, Y.-J.; Wang, X.-L.; Shi, T.; Zhao, YL* (2014) “Influence of Counteranions on Catalytic Ability of Immobilized Laccase in Cu-Alginate Matrices: Inhibition of Chloride and Activation of Acetate”. Chinese Chem. Lett., 25, 983-988.

49. Cheng, S.; Shi, T.; Wang, X.-L.; Liang, J.; Wu, H.; Xie, L.; Li, Y.; Zhao, YL* (2014) “Features of S-Nitrosylation based on Statistical Analysis and Molecular Dynamics Simulation: Cysteine Acidity, Surrounding Basicity, Steric Hindrance and Local Flexibility”. Mol. BioSyst., 10, 2597-2606.

48. Shi, T.; Luo, Y.; Wang, X.-L.; Lu, S.; Zhao, YL*; Zhang, J. (2014) “Theoretical Studies on the Mechanism, Enantioselectivity, and Axial Ligand Effect of a Ru(salen)-Catalyzed Asymmetric Cyclopropanation Reaction”. Organometallics, 33, 3673-3682.

47. Qi, Y,; Zhu, J.; Sun, Y.; Du, Y.; Chu, J.; Shi, T.; Zhao, YL*; Wang, X.-L. (2014) “Theoretical Studies of the Binding-affinity and Reactivity between Laccase and Phenolic Substrates”. Chem. J. Chinese Univ., 35, 776-783.

46. Zhang, G.; Zhang, W.; Zhang, Q.; Shi, T.; Ma, L.; Zhu, Y.; Li, S.; Zhang, H.; Zhao, YL; Shi, R; Zhang, C. (2014) “Mechanistic Insights into Polycycle Formation by Reductive Cyclization in Ikarugamycin Biosynthesis”. Angew. Chem. Intl. Ed., 126, 4940-4944.

45. Wu, G.; Chen, D.; Tang, H.; Ren, Y.; Chen, Q.; Lv, Y.; Zhang, Z.; Zhao, YL*; Yao, Y.; Xu. P. (2014) “Structural Insights into the Specific Recognition of N-Heterocycle Biodenitrogentation-derived Substrates by Microbial Amide Hydrolases”. Molecular Microbiology, 91(5), 1009-1021.

44. Cheng, S.; Lian, B.; Liang, J.; Shi, T.; Xie, L.; Zhao, YL* (2013) “Site Selectivity for Protein Tyrosine Nitration: Insights from Features of Structure and Topological Network”. Mol. BioSyst., 9, 2860-2868.

43. Huang, Y.; Chen, Z.; Chen, Y.; Zhang, H.; Zhang, Y.; Zhao, YL; Yang, Z.; Zhang, L. (2013) “Effects of Conformational Alteration Induced by D-/L-Isonucleoside Incorporation in siRNA on Their Stability in Serum and Silencing Activity”. Bioconjugate Chem., 24, 951-959.

42. Lei, Y.; Zhang, F.-L.; Chen, Q.-H.; Li, S.-J.; Zhao, YL; Li, Z.-Y. (2013) “The Role of Aromatic L-Amino Acid Decarboxylase in Bacillamide C Biosynthesis by Bacillus atrophaeus C89”. Scientific Reports, 3, 1753.

41. Chen, D.; Tang, H.; Lv, Y.; Zhang, Z.; Shen, K.; Lin, K.; Zhao, YL; Wu, G.; Xu. P. (2013) “Structural and Computational Studies of the Maleate Isomerase from Pseudomonas putida S16 Reveal a Breathing Motion Wrapping the Substrate Inside”. Molecular Microbiology, 87(6), 1237-1244.

40. Zhang, Y.-C.; Liang, J.; Lian, P.; Han, Y.; Chen, Y.; Bai, L.; Wang, Z.; Liang, J.; Deng, Z.; Zhao, YL* (2012) “Theoretical Study on Steric Effects of DNA Phosphorothioation: B-Helical Destabilization in Rp-Phosphorothioated DNA”. J. Phys. Chem. B, 116, 10639–10648.

39. Liang, J.; Cheng, S.; Hou, J.; Xu, Z.; Zhao, YL* (2012) “Car-Parinello Molecular Dynamics Simulations of Thionitroxide and S-Nitrosothiol in the Gas Phase, Methanol, and Water – A Theoretical Study of S-Nitrosylation”. Chem. Sci. China., 55(10), 2081-2088.

38. Xie, X; Liang, J.; Pu, T.; Xu, F.; Yao, F.; Yang, Y.; Zhao, YL; You, D.; Zhou, X.; Deng, Z.; Wang, Z. (2012) “Phosphorothioate DNA as an Antioxidant in Bacteria”. Nuc. Acids Res., 40(18), 9115-9124.

37. Xu, M.-J.; Liu, X.-J.; Zhao, Y.-L.; Liu, D.; Xu, Z.-H.; Lang, X.-M.; Ao, P.; Lin, W.-H.; Yang, S.-L.; Zhang, Z.-G.; Xu, J.(2012) Identification and Characterization of an Anti-Fibrotic Benzopyran Compound Isolated from Mangrove-Derived Streptomyces xiamenensis. Marine Drugs 10, 639-654.

36. Li, YQ; Du, XL; Lu, ZJ; Wu, DQ; Zhao, YL; Ren, B; Huang, JF; Huang, XQ; Xu, YH; Xu, YQ.(2011) “Regulatory Feedback Loop of Two phz Gene Clusters through 5′-Untranslated Regions in Pseudomonas sp. M18”. PLoS ONE 6(4): e19413. doi:10.1371/journal.pone.0019413 .

35. Li, X.-L.; Xu, M.-J.; Zhao, YL; Xu. J. (2010) “A Novel Benzo[f][1,7] Naphthyridine Produced by Streptomyces Albogriseolus from Mangrove Sediments”. Molecules, 15(12), 9298-9307.

34. Schulz, P.; Zangmeister, C. D.; Zhao, YL; Frail, P. R.; Saudari, S. R.; Gonzalez, C. A.; Kagan, C. R.; Wuttig, M.; van Zee, R. D .(2010) “Comparison of the Energy-level Alignment of Thiolate and Carbodithiolate-Bound Self-Assembled Monolayers on Gold”. J. Phys. Chem. C, 114 (48), 20843–20851.

33. Zhao, YL*; Meot-Ner, M.; Gonzalez, C. (2009) “Ionic Hydrogen Bond Networks and Ion Solvation 1. An Efficient Monte Carlo / Quantum Mechanical Method for Structural Search  and Energy Computations: Ammonium/Water”, J. Phys. Chem. A, 113(12), 2967-2974.

32. Zhao, YL*; Flora, J. W.; Thweatt, W. D.; Garrison, S.L.; Gonzalez, C.; Houk, K.N.; Marquez, M. (2009) “Phosphine Polymerization by Nitric Oxide: Experimental Characterization and Theoretical Predictions of Mechanism”, Inorganic Chemistry, 48(3), 1223-1231.

31. Bartalis, J.; Zhao, YL, Flora, J. W.; Paine, J. B.; Wooten, J. B. (2009) “Carbon-Centered Radicals in Cigarette Smoke: Acyl and Alkylaminocarbonyl Radicals”, Analytical Chemistry, 81(2), 631-641.

30. Penoni, A.; Palmisano, G.; Zhao, YL; Houk, K. N.; Volkman, J.; Nicholas, K. M. (2009) “On the Mechanism of Nitrosoarene-Alkyne Cycloaddition”, J. Am. Soc. Chem. 131(2), 653-661.

29. Wu, Y.-D.; Han, W.; Wang, D.-P.; Gao, Y.; Zhao, YL. (2008) “Theoretical Analysis of Secondary Structures of beta-Peptides”, Accounts of Chemical Research, 41, 1418-1427.

28. Zhao, YL; Laufer, A.H.; Halpern, J.; Fahr, A. (2007) “Hydrogen Migration and Vinylidene Pathway for Formation of Methane in the 193 nm Photodissociation of Propene; CH3CH=CH2 and CD3CD=CD2”, Journal of Physical Chemistry A.111, 8330-8335.

27. DeChancie, J.; Clemente, F. R.; Smith, A. J. T.; Gunaydin, H.; Zhao, Y.-L.; Zhang, X.; Houk, K. N. (2007) “How Similar are Enzyme Active Site Geometries Derived from Quantum Mechanical Theozymes to Crystal Structures of Enzyme-inhibitor Complexes? Implications for Enzyme Design”, Protein Science, 16, 1851-1866.

26. Zhao, YL*; Garrison, S.L.; Gonzalez, C.; Thweatt, W.D.; Marquez, M. (2007) “N-Nitrosation of Amines by NO2 and NO: a Theoretical Study”, Journal of Physical Chemistry A. 111, 2200-2205.

25. Edwards, N.; Helgeson, R.; Zhao, YL; Houk, K. N. (2006) “Pyridine-based Cavitands for Acid and Carboxylate Recognition”, Molecular Crystals and Liquid Crystals, 456, 175-192.

24. Zhao, YL; Suhrada, C. P.; Jung, M. E.; Houk, K. N. (2006) “Theoretical Investigation of the Stereoselective Stepwise Cope Rearrangement of a 3-Vinylmethylenecyclobutane” J. Am. Chem. Soc. 128 (34); 11106-11113.

23. Zhao, YL; Houk, K. N. (2006) “Thionitroxides, RS-NH-O●: The Structure of the SNO Moiety in "S-Nitrosohemoglobin", A Possible NO Reservoir and Transporter”, J. Am. Chem. Soc. 128(5), 1422-1423.

22. Zhao, YL; Jones, W. H.; Monnat, F., Wudl, F.; Houk, K. N. (2005) “Mechanisms of the Thermal Decomposition of Polysulfone: A DFT and CBS-QB3 study”, Macromolecules, 38(24); 10279-10285.

21. Zhao, YL; McCarren, P.R.; Houk, K. N.; Choi, BY; Toone, E. J. (2005) “Nitrosonium-Catalyzed Decomposition of S-Nitrosothiols in Solution:  A Theoretical and Experimental Study.”(Article), J. Am. Chem. Soc. 127(31), 10917-10924.

20. Palmer L. C.; Zhao, YL; Houk, K. N. Rebek, J. Jr. (2005) “Diastereoselection of Chiral Acids in a Cylindrical Capsule”, Chem. Comm., 29, 3667-3669.

19. Zhao, YL; Bartberger, M.D.; Goto, K.; Shimada, K.; Kawashima, T; Houk, K. N. (2005) “Theoretical Evidence for Enhanced NO Dimerization in Aromatic Hosts: Implications for the Role of the Electrophile (NO)2 in Nitric Oxide Chemistry”(Communication), JACS, 127(22), 7964-7965.

18. Zhao, YL; Houk, K. N.; Rechavi, D.; Scarso, A.; Rebek, J. Jr. (2004) “Equilibrium Isotope Effects as a Probe of Nonbonding Attractions”(Communication), J. Am. Chem. Soc. 126(37), 11428-11429. 

17. Zhao, YL; Houk, K. N.; Olson, L. P. (2004) “Mechanisms of Peroxynitrous Acid and Methyl Peroxynitrite, ROONO (R = H, Me), Rearrangements: A Conformation-Dependent Homolytic Dissociation.”(Article) Journal of Physical Chemistry A, 108(27), 5864-5871. 

16. Zhao YL; Wu YD. (2002): “A Theoretical Study on b-Sheet Models: Is the Formation of Hydrogen Bond Network Cooperative?” J. Am. Chem. Soc. 124(8), 1570-1571.

15. Wu, YD; Lin, JQ; Zhao, YL. (2002)  “Theoretical study of b-peptide models: intrinsic preferences of helical structures.” Helvetica Chimica Acta, 85(10), 3144-3160.

14. Wu YD.; Zhao YL (2001):“A Theoretical Study on the Origin of Cooperativity in the Formation of 310- and a-Helices”J. Am. Chem. Soc. 123(22), 5313-5319.

13. Zhao YL, Zhou DJ, Huang CH, Gan LB, Ying LM, Zhao XS, Zhang B, Ma Y, Xu M, Wu K (1998): “Langmuir-Blodgett Film of a Europium Complex and Its Application in a Silver Mirror Planar Microcavity”, Langmuir, 14(2), 417-422.

12. Zhao YL, Gan LB, Zhou DJ, Huang CH, Jiang JZ, Liu W (1998): “Photocurrent Generation from a Self-Assembling Guest-Host LB Film of C60(HOOCCHNHCHCOOH) and Octopentyloxy Phthalocyanine,” Solid State Communications, 106(1), 43-48.

11. Huang YY, Zhao YL, Gan LB, Huang CH, Wu NZ. (1998): “Langmuir-Blodgett Film Formation of a Fullerene Dicarboxylic Acid Derivative C60(HOOCCHNHCHCOOH) and its Photocurrent Generation”, J. of Colloid and Interface Science, 204(2), 277-283.

10. Lang AD, Zhai J, Huang CH, Gan LB, Zhao YL, Zhou DJ, Chen ZD. (1998): “Relationship between Structures and Photocurrent Generation Properties in a Series of Hemicyanine Congeners”, J. Phys. Chem. B. 102(8),1424-1429.

9. Huang YY, Gan LB, Huang CH, Zhao YL, Zhai J, Zou YD, Tan J, Zhao XS.  (1998): “Studies on the Langmuir Films of the Quinone Compounds with Long Alkyl Side Chains and Their Surface Potential”, Chemical Journal of Chinese Universities, 19, 1323-1325. [in Chinese: 黄岩谊,甘良兵,黄春辉,赵一雷,翟锦,邹永德,谭俊,赵新生 “带有长侧链醌类化合物的Langmuir膜及其表面电势”高等学校化学学报]

8. Zhao YL, Zhou DJ, Yao GQ, Huang CH  (1997): “Strong luminescent terbium(III)-pyrazolone complexes and their Langmuir-Blodgett films”, Langmuir, 13(15), 4060-4065.

7. Zhou DJ, Zhao YL, Gan LB, Luo CP, Huang CH, Luo MJ, Pan JQ, Wu Z  (1997): “Synthesis of C60-Pyrrolidine Derivatives by 1,3-Dipolar Cycloaddition of Azomethine Ylides to C60”— Chemical Journal of Chinese Universities, 18(5), 665-670. [in Chinese: 周德健,赵一雷,甘良兵,骆初平,黄春辉,吕木坚,潘景岐,武轾 “含氮YlideC601, 3-偶极环加成反应法合成含吡咯环C60衍生物”高等学校化学学报]

6. Zhao YL, Gan LB, Zhou DJ, Luo CP, Huang CH, Jia GC, Wu T. (1997): “Synthesis of Proline Fullerene Derivative”, Chinese Science Bulletin, 42(16), 1360-1363. [in Chinese: 赵一雷,甘良兵,周德健,骆初平,黄春辉,贾国成,武轾 “1, 3-偶极环加成反应合成脯氨酸C60衍生物”科学通报]

5. Zhang, B, Ma Y, Xu M, Wu K, Huang CH, Zhao YL, Zhuo DJ, Yin LM, Zhao XS (1997) “Planar Organic Microcavity of Eu-Chelate Film with Metal Mirrors”, Solid State Communications, 104(10), 593-596

4. Luo CP, Huang CH, Gan LB, Zhou DJ, Xia WS, Zhuang QK, Zhao YL, Huang YY. (1996): “An Investigation of Photoelectrochemsitry of C60 and Its Derivatives of C60-Pyrrolidine by Monolayer Modified SnO2 Electrodes”J. Phys. Chem., 100(41), 16685-16689.

3. Zhao YL, Gan LB, Huang CH, (1996, review) “C60 Ultro-thin  Regulated Film”, Chemistry in Universities, 1996, 11(4), 1-4. [in Chinese: 赵一雷,甘良兵,黄春辉“C60的超薄有序膜”大学化学,11(4),1-4.

2. Li H, Huang CH, Zhao YL, Li TK, Bai J, Zhao XS, Xia XH.(1995):  “Langmuir-Blodgett Film and Second Harmonic Generation of a Series of New Nonlinear Optical Rare Earth Complexes”,— Solid State Communications. 94(9), 731-733. 

1. Tang KB, Zhao YL, Chen ZY, Qian YT, Chao LZ, Zhang YH. (1994) “Effect of Cd Substitution on Superconductivity of Bi2222 Cuprates”,Physica C., 232,131-135