Chi-Kit Andy Siu's Research Group

Theoretical and Computational Chemistry
City University of Hong Kong

Publication

  1. Demissie, E. G.; Lam. W. K.; Thompson, H.; Tang, W. K.; Siu, C.-K. " Decomposition of Nitrous Oxide in Hydrated Cobalt(I) Clusters: A Theoretical Insight into Mechanistic Roles of Ligand-binding Modes" Phys. Chem. Chem. Phys. 2021, 23, 16816-16826. (DOI: 10.1039/D1CP01820E)
  2. Heller, J.; Tang, W. K.; Cunningham, E. M.; Demissie, E. G.; van der Linde, C.; Lam, W. K.; Ončák, M.; Siu, C.-K.; Beyer, M. K. " Getting Ready for the Hydrogen Evolution Reaction: The Infrared Spectrum of Hydrated Aluminum Hydride–Hydroxide HAlOH+(H2O)n−1, n=9–14" Angew. Chem. Int. Ed. 2021, 60, 16858-16863. (DOI: 10.1002/anie.202105166)
  3. Xu, Z.; Tang, W. K.; Zhou, Q.; Chen, S.; Siu, C.-K.; Zhu, G. " On the hydrolytic stability of unsymmetric platinum(IV) anticancer prodrugs containing axial halogens" Inorg. Chem. Front. 2021, 8, 3794-3802. (DOI: 10.1039/D1QI00208B)
  4. Rahim, M. A.; Yeap, G. Y.; Tang, W. K.; Siu, C.-K. " Experimental and DFT Studies on Well-Defined Odd-Even Effect in Organic Liquid Crystal Tetramers Incorporating Two Chiral Centers" Curr. Mat. Sci. 2021. (DOI: 10.2174/2666145414666210531123103)
  5. Tang, W. K.; Mu, X. Y.; Li, M. Z.; Martens, Berden. G.; Oomens, J.; Chu, I. K.; Siu, C.-K. " Formation of n→π+ Interaction Facilitating Dissociative Electron Transfer in Isolated Tyrosine-containing Molecular Peptide Radical Cations" Phys. Chem. Chem. Phys. 2020, 22, 21393-21402. (DOI: 10.1039/D0CP00533A)
  6. Li, Y. N.; Li, M. Z.; Spencer, D. M.; Martens, J.; Berden, G.; Oomens, J.; Siu, C.-K.; Chu, I. K. " Mechanistic examination of Cα-Cβ tyrosyl bond cleavage: Spectroscopic investigation of the generation of α‐glycyl radical cations from tyrosyl (glycyl/alanyl)tryptophan" J. Mass Spectrom. 2020, 56, e4630. (DOI: 10.1002/jms.4630)
  7. Khoo, H.; Siu, C.-K.; So, C.-W. " A Base-Stabilized Silylene-Promoted C(sp3)–H Borylation and H2 Activation" Inorg. Chem. 2020, 59, 9551-9559. (DOI: 10.1021/acs.inorgchem.0c00426)
  8. Li, Y. N.; Li, M. Z.; Spencer, D. M.; Lau, J. K. C.; Martens, J.; Berden, G.; Oomens, J.; Fang, D. C.; Hopkinson, A. C.; Siu, K. W. M.; Siu, C.-K.; Chu, I. K. " Dissociative electron transfer of copper(ii) complexes of glycyl(glycyl/alanyl)tryptophan in vacuo: IRMPD action spectroscopy provides evidence of transition from zwitterionic to non-zwitterionic peptide structures" Phys. Chem. Chem. Phys. 2020, 22, 13084-13091. (DOI: 10.1039/D0CP02296A)
  9. Lai, C. K.; Tang, W. K.; Siu, C.-K.; Chu, I. K. " Evidence for the Prerequisite Formation of Phenoxyl Radical in Radical‐Mediated Peptide Tyrosine Nitration In Vacuo" Chem. Eur. J. 2020, 61, 331-335. (DOI: 10.1002/chem.201904484)
  10. Leong, B. X.; Lee, J. W.; Li, Y.; Tang, M. C.; Siu, C.-K.; Su, M.-D.; So, C.-W. " A Versatile NHC-Parent Silyliumylidene Cation for Catalytic Chemo-and Regioselective Hydroboration" J. Am. Chem. Soc. 2019, 141, 17629-17636. (DOI: 10.1021/jacs.9b06714)
  11. Herburger, A.; Ončák, M.; Siu, C. K.; Demissie, E. G.; Heller, J.; Tang, W. K.; Beyer, M. K. Infrared Spectroscopy of Size‐Selected Hydrated Carbon Dioxide Radical Anions CO2●‒(H2O)n (n=2–61) in the C−O Stretch Region. Chem. Eur. J. 2019, 25(43), 10165-10171.
  12. Tang, W. K.; Chau, M. C., Siu, C. K. Role of water in molecular oxygen activation in hydrated chromium(I) cluster ions: A theoretical insight. Int. J. Mass Spectrom. 2019, 436, 118-126.
  13. Mu, X. Y. ; Tang, W.-K. ; Dong, N. P., Li, M. Z Li, Siu, C,-K.; Chu, I. K. Cα-Cβ Bond Cleavage Occurs at the Side Chain of the N-Terminal Phenylalanine Residue during CID of Tyrosine-Containing Peptide Radical Cations" Int. J. Mass Spectrom. (A Special Issue on the Occasion of Prof. Helmut Schwarz's 75th Birthday). Int. J. Mass Spectrom. 2019, 435, 333-341.
  14. van der Linde, C. ; Tang, W.-K. ; Siu, C,-K.; Beyer, M. K. Kinetics of the reaction of CO3·-(H2O)n, n = 0, 1, 2, with nitric acid, a key reaction in tropospheric negative ion chemistry. Phys. Chem. Chem. Phys. 2018, Just accepted.
  15. Yu, X. Y. ; Chau, M. C. ; Tang, W.-K. ; Siu, C,-K.; Yao, Z. P. Self-Assembled Binuclear Cu(II)–Histidine Complex for Absolute Configuration and Enantiomeric Excess Determination of Naproxen by Tandem Mass Spectrometry. Anal. Chem. 2018, 20, 10838-10845.
  16. Mu, X. Y. ; Song, T; Siu, C,-K.; Chu, I. K. Tautomerization and Dissociation of Molecular Peptide Radical Cations.. Chem. Rec. 2018, 18, 20–44.
  17. Tang, W.-K. ; van der Linde, C. ; Siu, C,-K.; Beyer, M. K. Hydration Leads to Efficient Reactions of the Carbonate Radical Anion with Hydrogen Chloride in the Gas Phase J. Phys. Chem. A 2017, 121(1), 192-197.
  18. Akhgarnusch, A.; Tang, W.-K.; Zhang, H.; Siu, C,-K.; Beyer, M. K. Charge Transfer Reactions between Gas-Phase Hydrated Electrons, Molecular Oxygen and Carbon Dioxide at Temperatures of 80 - 300 K. Phys. Chem. Chem. Phys. 2016, 18, 23528-23537.
  19. Linde, C. L.; Tang, W.-K.; Siu, C,-K.; Beyer, M. K. Electrons Mediate the Gas-Phase Oxidation of Formic Acid with Ozone. Chem. Eur. J. (Communication) 2016, 22, 12684-12687.
  20. Tang, W.-K.; Leong, C.-P.; Hao, Q.; Siu, C.-K.. Theoretical examination of competitive β-radical-induced cleavages of N–Cα and Cα–C bonds of peptides. Can. J. Chem. 2015, 93(12), 1355-1362.
  21. Chu, I. K.; Siu, C. K.; Lau, J. K.-C.; Tang, W. K.; Mu, X. Y.; Lai, C. K.; Guo, X. H.; Wang, X.; Li, N.; Xia, Y.; Kong, X. L.; Oh, H. B.; Ryzhov, V.; Turecek, F.; Hopkinson, A. C.; Siu, K. W. M. Proposed nomenclature for peptide ion fragmentation. Int. J. Mass Spectrom. 2015, 390, 24-27.
  22. Xu, M. J.; Tang, W.-K.; Mu, X. Y.; Ling, Y.; Siu, C.-K.; Chu, I. K. α-Radical-induced CO2 loss from the aspartic acid side chain of the collisionally induced tripeptide aspartylglycylarginine radical cation. Int. J. Mass Spectrom. 2015, 390, 56-62.
  23. Herber, I.; Tang, W.-K.; Wong, H.-Y.; Lam, T.-W.; Siu, C.-K.; Beyer, M. K. Reactivity of Hydrated Monovalent First Row Transition Metal Ions [M(H2O)n]+, M = Cr, Mn, Fe, Co, Ni, Cu, and Zn, n<50, Toward Acetonitrile. J. Phys. Chem. A 2015, 119(22), 5566-5578.
  24. Lam, T.-W.; Zhang, H.; Siu, C.-K. Reductions of Oxygen, Carbon Dioxide, and Acetonitrile by the Magnesium(II)/Magnesium(I) Couple in Aqueous Media: Theoretical Insights from a Nano-Sized Water Droplet. J. Phys. Chem. A 2015, 119(12), 2780-2792.
  25. Mu, X. Y.; Song, T.; Xu, M. J.; Lai, C. K.; Siu, C.-K.; Laskin, J.; Chu, I. K. Discovery and Mechanistic Studies of Facile N-Terminal Cα–C Bond Cleavages in the Dissociation of Tyrosine-Containing Peptide Radical Cations. J. Phys. Chem. B 2014, 118(16), 4273-4281.
  26. Akhgarnusch, A.; Hockendorf, R. F.; Hao, Q.; Jager, K. P.;Siu, C.-K.; Beyer, M. K. Carboxylation of Methyl Acrylate by Carbon Dioxide Radical Anions in Gas-Phase Water Clusters. Angew. Chem. Int. Ed. 2013, 52(35), 9327-9330.
  27. Hockendorf, R. F.; Fischmann, K.; Hao, Q.; Linde, C. L.; Balaj, O. P.; Siu, C.-K.; Beyer, M. K. C-C Bond Formation between CO2*- and Allyl Alcohol in Water Clusters: A Mechanistic Study. Int. J. Mass Spectrom 2013, 354-355, 175-180.
  28. Lam, T.-W.; Linde, C. L.; Akhgarnusch, A.; Hao, Q.; Beyer, M. K.;Siu, C.-K. Reduction of CH3CN in Hydrated Magnesium Cations Mg+(H2O)n, n≈20-60, in the Gas Phase. Chem. Plus Chem. 2013, 78(9), 1040-1048.
  29. Quan, Q.; Hao, Q.; Song, T.;Siu, C.-K.; Chu, I. K.; Mechanistic Investigation of Phosphate Ester Bond Cleavages of Glycylphosphoserinyltryptophan Radical Cations under Low-Energy Collision-Induced Dissociation. J. Am. Soc. Mass Spectrom. 2013, 24, 554-562..
  30. Kong, Ricky P. W.; Quan, Q.; Hao, Q.; Lai, C.-K.;Siu, C.-K.; Chu, I. K. Formation and Dissociation of Phosphorylated Peptide Radical Cations. J. Am. Soc. Mass Spectrom. 2012, 23, 2094-2101.
  31. Verkerk, U. H.; Zhao, J.; Lau, J. K.-C.; Lam, T.-W.; Hao, Q.; Steill, J. D.; Siu, C.-K.; Oomens, J.; Hopkinson, A. C. & Siu, K. M. Structures of the a2 ions of Ala-Ala-Ala and Phe-Phe-Phe. Int. J. Mass Spectrom., 2012, 330-332, 254-261.
  32. Song, T.; Ma, C.-M.; Chu, I. K.; Siu, C.-K.; Laskin, J. Mechanistic Examination of Cβ-Cγ Bond Cleavages of Tryptophan Residues During Dissociations of Molecular Peptide Radical Cations. J. Phys. Chem. A 2013, 117 , 1059-1068.
  33. Hao, Q.; Song, T.; Ng, D. C. M.; Quan, Q.; Siu, C.-K.; Chu, I. K. Arginine-Facilitated Isomerization: Radical-Induced Dissociation of Aliphatic Radical Cationic Glycylarginyl(iso)leucine Tripeptides. J. Phys. Chem. B 2012, 116 , 7627-7634.
  34. Song, T.; Hao, Q.; Law, C.-H.; Siu, C.-K.; Chu, I. K. Novel Cβ-Cγ Bond Cleavages of Tryptophan-Containing Peptide Radical Cations. J. Am. Soc. Mass Spectrom. 2012, 23, 264-273.
  35. Hoeckendorf, R. F.; Hao, Q.; Sun, Z.; Fox-Beyer, B. S.; Cao, Y.; Balaj, O. P.; Bondybey, V. E.; Siu, C.-K.; Beyer, M. K. Reactions of CH3SH and CH3SSCH3 with Gas-Phase Hydrated Radical Anions (H2O)n·-, CO2·-(H2O)n, and O2·-(H2O)n. J. Phys. Chem. A 2012, 116, 3824-3835.
  36. Xu, M.; Song, T.; Quan, Q.; Hao, Q.; Fang, D.-C.; Siu, C.-K.; Chu, I. K. Effect of the N-terminal basic residue on facile C-alpha-C bond cleavages of aromatic-containing peptide radical cations. Phys. Chem. Chem. Phys. 2011, 13, 5888-5896.
  37. van der Linde, C.; Akhgarnusch, A.; Siu, C.-K.; Beyer, M. K. Hydrated Magnesium Cations Mg+(H2O)n, n approximate to 20-60, Exhibit Chemistry of the Hydrated Electron in Reactions with O2 and CO2. J. Phys. Chem. A 2011, 115, 10174-10180.
  38. Song, T.; Ng, D. C. M.; Quan, Q.; Siu, C.-K.; Chu, I. K. Arginine-Facilitated α- and π-Radical Migrations in Glycylarginyltryptophan Radical Cations. Chem. Asian J. 2011, 6, 888-898.
  39. Verkerk, U. H.; Siu, C.-K.; Steill, J. D.; El Aribi, H.; Zhao, J.; Rodriquez, C. F.; Oomens, J.; Hopkinson, A. C.; Siu, K. W. M. a2 Ion Derived from Triglycine: An N-1-Protonated 4-Imidazolidinone. J. Phys. Chem. Lett. 2010, 1, 868-872.
  40. Ng, D. C. M.; Song, T.; Siu, S. O.; Siu, C. K.; Laskin, J.; Chu, I. K. Formation, Isomerization, and Dissociation of α-Carbon-Centered and π-Centered Glycylglycyltryptophan Radical Cations. J. Phys. Chem. B 2010, 114, 2270-2280.
  41. Siu, C.-K.; Guo, Y.; Saminathan, I. S.; Hopkinson, A. C.; Siu, K. W. M. Optimization of Parameters Used in Algorithms of Ion-Mobility Calculation for Conformational Analyses. J. Phys. Chem. B 2010, 114, 1204-1212.
  42. Romanov, V.; Siu, C.-K.; Verkerk, U. H.; Hopkinson, A. C.; Siu, K. W. M. Bond Dissociation Energies of Solvated Silver(I)-Amide Complexes: Competitive Threshold Collision-Induced Dissociations and Calculations. J. Phys. Chem. A 2010, 114, 6964-6971.
  43. Ke, Y.; El Aribi, H.; Siu, C.-K.; Siu, K. W. M.; Hopkinson, A. C. A comparison of the fragmentation pathways of [CuII(Ma)(Mb)]·2+ complexes where Ma and Mb are peptides containing either a tryptophan or a tyrosine residue. Rapid Commun. Mass Spectrom. 2010, 24, 3485-3492.
  44. Hoeckendorf, R. F.; Siu, C.-K.; van der Linde, C.; Balaj, O. P.; Beyer, M. K. Selective Formic Acid Synthesis from Nanoscale Electrochemistry. Angew. Chem. Int. Edit. 2010, 49, 8257-8259.
  45. Zhao, J.; Siu, C.-K.; Shi, T.; Hopkinson, A. C.; Siu, K. W. M. Abundant Dipositively Charged Protonated a2 and a3 Ions from Diproline and Triproline. J. Phys. Chem. B 2009, 113, 4963-4969.
  46. Siu, C.-K.; Zhao, J.; Laskin, J.; Chu, I. K.; Hopkinson, A. C.; Siu, K. W. M. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations. J. Am. Soc. Mass Spectrom. 2009, 20, 996-1005.
  47. Romanov, V.; Verkerk, U. H.; Siu, C.-K.; Hopkinson, A. C.; Siu, K. W. M. Threshold Collision-induced Dissociation Measurements Using a Ring Ion Guide as the Collision Cell in a Triple-Quadrupole Mass Spectrometer. Anal. Chem. 2009, 81, 6805-6812.
  48. Dunbar, R. C.; Hopkinson, A. C.; Oomens, J.; Siu, C.-K.; Siu, K. W. M.; Steill, J. D.; Verkerk, U. H.; Zhao, J. Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions. J. Phys. Chem. B 2009, 113, 10403-10408.
  49. Steill, J.; Zhao, J.; Siu, C.-K.; Ke, Y.; Verkerk, U. H.; Oomens, J.; Dunbar, R. C.; Hopkinson, A. C.; Siu, K. W. M. Structure of the Observable Histidine Radical Cation in the Gas Phase: A Captodative α-Radical Ion. Angew. Chem. Int. Edit. 2008, 47, 9666-9668.
  50. Siu, C.-K.; Ke, Y.; Orlova, G.; Hopkinson, A. C.; Siu, K. W. M. Dissociation of the N-Cα Bond and Competitive Formation of the [zn - H]·+ and [cn + 2H]+ Product Ions in Radical Peptide Ions Containing Tyrosine and Tryptophan: The Influence of Proton Affinities on Product Formation. J. Am. Soc. Mass Spectrom. 2008, 19, 1799-1807.
  51. Siu, C.-K.; Ke, Y.; Guo, Y.; Hopkinson, A. C.; Siu, K. W. M. Dissociations of copper(II)-containing complexes of aromatic amino acids: radical cations of tryptophan, tyrosine, and phenylalanine. Phys. Chem. Chem. Phys. 2008, 10, 5908-5918.
  52. Shi, T.; Siu, C.-K.; Siu, K. W. M.; Hopkinson, A. C. Dipositively Charged Protonated a3 and a2 Ions: Generation by Fragmentation of [La(GGG)(CH3CN)2]3+. Angew. Chem. Int. Edit. 2008, 47, 8288-8291.
  53. Romanov, V.; Siu, C.-K.; Verkerk, U. H.; El Aribi, H.; Hopkinson, A. C.; Siu, K. W. M. Binding Energies of the Silver Ion to Alcohols and Amides: A Theoretical and Experimental Study. J. Phys. Chem. A 2008, 112, 10912-10920.
  54. Siu, C.-K.; Reitmeier, S. J.; Balteanu, I.; Bondybey, V. E.; Beyer, M. K. Catalyst poisoning in the conversion of CO and N2O to CO2 and N2 on Pt4- in the gas phase. Eur. Phys. J. D 2007, 43, 189-192.
  55. Siu, C.-K.; Balaj, O. P.; Bondybey, V. E.; Beyer, M. K. Reactions of large water cluster anions with hydrogen chloride: Formation of atomic hydrogen and phase separation in the gas phase. J. Am. Chem. Soc. 2007, 129, 3238-3246.
  56. Sun, Z.; Siu, C.-K.; Balaj, O.; Gruber, M.; Bondybey, V.; Beyer, M. Proton transfer in ionic water clusters. Angew. Chem. Int. Edit. 2006, 45, 4027-4030.
  57. Siu, C.-K.; Guo, Y.; Hopkinson, A. C.; Siu, K. W. M. How large is the [FeIII(protoporphyrin IX)]+ ion (Hemin+) in the gas phase? J. Phys. Chem. B 2006, 110, 24207-24211.
  58. Siu, C.-K.; Fox-Beyer, B. S.; Beyer, M. K.; Bondybey, V. E. Ab initio molecular dynamics studies of ionic dissolution and precipitation of sodium chloride and silver chloride in water clusters, NaCl(H2O)n and AgCl(H2O)n, n=6, 10, and 14. Chem. Eur. J. 2006, 12, 6382-6392.
  59. Rodriquez, C.; Orlova, G.; Guo, Y.; Li, X.; Siu, C.; Hopkinson, A.; Siu, K. Gaseous bradykinin and its singly, doubly, and triply protonated forms: A first-principles study. J. Phys. Chem. B 2006, 110, 7528-7537.
  60. Siu, C.; Liu, Z. Reaction mechanisms for size-dependent H loss in Mg+(H2O)n: solvation controlled electron transfer. Phys. Chem. Chem. Phys. 2005, 7, 1005-1013.
  61. Chan, K.; Siu, C.; Wong, S.; Liu, Z. The elimination of a hydrogen atom in Na(H2O)n. J. Chem. Phys. 2005, 123124313.
  62. Balaj, O.; Siu, C.; Balteanu, I.; Fox-Beyer, B.; Beyer, M.; Bondybey, V. Base-catalyzed hydrogen deuterium exchange between water and acetonitrile in anionic water clusters. J. Phys. Chem. A 2004, 108, 7506-7512.
  63. Balaj, O.; Siu, C.; Balteanu, I.; Beyer, M.; Bondybey, V. Reactions of hydrated electrons (H2O)n- with carbon dioxide and molecular oxygen: Hydration of the CO2- and O2- ions. Chem. Eur. J. 2004, 10, 4822-4830.
  64. Balaj, O.; Siu, C.; Balteanu, I.; Beyer, M.; Bondybey, V. Free electrons, the simplest radicals of them all: chemistry of aqueous electrons as studied by mass spectrometry. Int. J. Mass Spectrom. 2004, 238, 65-74.
  65. Siu, C.; Liu, Z.; Tse, J. Ab initio studies on Al+(H2O)n, HAIOH+(H2O)n-1, and the size-dependent H2 elimination reaction. J. Am. Chem. Soc. 2002, 124, 10846-10860.
  66. Siu, C.; Liu, Z. Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n. Chem. Eur. J. 2002, 8, 3177-3186.
  67. Liu, Z.; Siu, C.; Tse, J. Catalysis of the reaction HCl + HOCl -> H2O + Cl2 on an ice surface. Chem. Phys. Lett. 1999, 309, 335-343.
  68. Liu, Z.; Siu, C.; Tse, J. Ab initio molecular dynamics study on the hydrolysis of molecular chlorine. Chem. Phys. Lett. 1999, 311, 93-101.
  69. Liu, Z.; Siu, C.; Tse, J. Ab initio molecular dynamics study on the thermal dissociation of acetic acid. Chem. Phys. Lett. 1999, 314, 317-325.