Impact

Publications

Ren茅 Boer茅

  1. J. Bykowski, D. Turnbull, N. Hahn, R.T. Boer茅, S.D. Wetmore and M. Gerken*, 鈥淟ewis-Acid Behaviour of MoF5 and MoOF4: Syntheses and Characterization of MoF5(NCCH3), MoF5(NC5H5)n and MoOF4(NC5H5)n (n = 1, 2)鈥, Inorganic Chemistry 2021, 60, 15695-15711. .
  2. S.L. Drescher*, C.P. Forfar, R.T. Boer茅 and P.G. Hayes, 鈥淴-ray crystal structure of [L2Ag3]+[OTf]鈭鈭5颁6H6: A monoanionic bisphosphinimine ligand supported trisilver complex鈥, Acta Crystallographica, Section E: Crystallographic Communications 2021, E77, 1025-1028. .
  3. I.O. Shotonwa* and R.T. Boer茅, 鈥淐rystallographic identification of a novel 2,4,5-tri(N-methyl-4-pyridinium)-1,3-thiazole with a complex network of polyiodide/iodine counter ions and co-crystallized cyclododecasulfur (S12)鈥, European Journal of Chemistry 2021, 12, 179-186. .
  4. L. El Foujji, K. El Bourakadi, El M. Essassi, R.T. Boer茅, A. el kacem Qaiss and R. Bouhfid*, 鈥淪olid-state Zwitterionic tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1Hbenzimidazole: synthesis, characterization, DFT calculation and docking studies鈥, Journal of Molecular Structure 2021, 1235, 130231:1-10. .
  5. N.R. Naz, G. Schnakenburg, Z. Kelemen, D. G谩l, L. Nyul谩szi*, R.T. Boer茅*, and R. Streubel*, 鈥淎 rigid anionic Janus bis(NHC) 鈥 new opportunities in NHC chemistry鈥, Dalton Transactions 2021, 50, 689-695. .
  6. I. Dimbarre Lao Guimar茫es, F. Marszaukowski, R. Ribeiro, S. Ricardo de Lazaro, K. Mara de Oliveira, A. A. Batista, P. Castellen, E. Wrobel, J.R. Garcia, R.T. Boer茅* and K. Wohnrath*, 鈥淪ynthesis, structure, cytotoxic activity and Langmuir film interactions of 畏6-p-cymene ruthenium(II) complexes of highly lipophilic triarylphosphine ligands鈥, Journal of Organometallic Chemistry 2021, 931, 121599:1-11. .

Michael Gerken

  1. F. O鈥橠onnell, D. Turnbull, S. D. Wetmore, M. Gerken* "Donor-Stabilized [SbF4]+: SbF5 as a Fluoride-ion Donor" Chemistry - A European Journal 2021, 27, 16334-16337. (HOT PAPER; Part of the VCH-Wiley collection: Hot Topic: Fluorine Chemistry)
  2. K.Matsumoto*, M. Gerken* "Recent Advances in Sulfur Tetrafluoride Chemistry: Syntheses, Structures, and Applications" Dalton Transactions 2021, 50, 12791-12799. (HOT Article designation, top 10% of research published in Dalton)
  3. J. Bykowski, D. Turnbull, N. Hahn, R. Boer茅, S. D. Wetmore, M. Gerken* "Lewis-Acid Behaviour of MoF5 and MoOF4: Syntheses and Characterization of MoF5(NCCH3), MoF5(NC5H5)n and MoOF4(NC5H5)n (n = 1, 2)" Inorganic Chemistry 2021, 60(20), 15695-15711.
  4. M. Gerken*, J. S. Thrasher* Editorial: "Dr. Robert (Bob) G. Syvret, electronic fluorocarbons, LLC and F2ChemTech, LLC 鈥 Recipient of the 2020 American chemical society award for creative work in fluorine chemistry" Editorial in Journal of Fluorine Chemistry 2021, 249, 109836.
  5. D. Turnbull, S. D. Wetmore, M. Gerken* "Stabilisation of [WVF4]+ by N- and P-Donor Ligands: Second-Order Jahn-Teller Effects in Octacoordinate d1 Complexes" Chemistry - A European Journal 2021, 27(44), 11335-11343.
  6. D. Turnbull, P. Chaudhary, P. Hazendonk, S. D. Wetmore, M. Gerken* "Chalcogen versus Dative Bonding in [SF3]+ Lewis Acid-Base Adducts: [SF3(NCCH3)2]+, [SF3(NC5H5)2]+, and [SF3(phen)]+ (phen = 1,10-phenanthroline)" Inorganic Chemistry 2021, 60(6), 3893-3901. (HIGHLIGHTED in Trendberichte in Nachrichten aus der Chemie, 2022, 70(2), 49)
  7. C. Song, X. Chu, B. Zhu, M. Gerken,* X Zeng* "Synthesis and Characterization of Fluorophosphoryl Diazide and Diisocyanate" Journal of Fluorine Chemistry, 2021, 242, 109694. (INVITED, Award Issue for Robert Syvret, awardee of ACS Award for Creative Work in Fluorine Chemistry, 2020)

Paul Hayes

  1. S. L. Drescher*, C. P. Forfar, R. T. Boer茅, P. G. Hayes, "X-Ray Crystal Structure of [L2Ag3]+[OTf]鈥 鈥5颁6D6: A monoanionic bisphosphinimine ligand supported trisilver complex" Acta Crystallographica, Section E: Struct. Rep. Online 2021, 77, 1025-1028.
  2. D. T. Chisholm, P. G. Hayes*, "Synthesis and Characterization of Group 13 Dichloride (M = Ga, In), Dimethyl (M = Al) and Cationic Methyl Aluminum Complexes Supported by Monoanionic NNN-Pincer Ligands" New Journal of Chemistry 2021, 45, 15043-15052. (INVITED PAPER for Special Issue Dedicated to Prof. Todd Marder)
  3. S.-J. Hsiang, P. G. Hayes* 鈥淭he Coordination Chemistry of Yttrium Complexes Supported by Multidentate Nitrogen Ancillary Ligands鈥 In Comprehensive Coordination Chemistry III; Constable, E. C.; Parkin, G.; Que Jr., L., Eds., Vol. 4, Elsevier, 2021, 40-72. (INVITED SUBMISSION)
  4. D. J. Webb, P. G. Hayes* 鈥淐oordination Chemistry of Phosphinimine Containing Ligands鈥 Comprehensive Coordination Chemistry III; Constable, E. C.; Parkin, G.; Que Jr., L., Eds., Vol. 1, Elsevier, 2021, 131-157. (Invited Submission)

Paul Hazendonk

  1. C.M. Romero, A.P.H. Redman, S.A. Terry, P. Hazendonk, X. Hao, T.A. McAllister, E. Okine "Molecular speciation and aromaticity of biochar-manure: Insights from elemental, stable isotope and solid-state DPMAS 13C NMR analyses" Journal of Environmental Management. 2021, 280, 111705.
  2. D. Turnbull, P. Chaudhary, P. Hazendonk, S. D. Wetmore, M. Gerken* "Chalcogen versus Dative Bonding in [SF3]+ Lewis Acid-Base Adducts: [SF3(NCCH3)2]+, [SF3(NC5H5)2]+, and [SF3(phen)]+ (phen = 1,10-phenanthroline)" Inorganic Chemistry 2021, 60(6), 3893-3901. (HIGHLIGHTED in Trendberichte in Nachrichten aus der Chemie, 2022, 70(2), 49)
  3. C.M. Romero, X. Hao, P. Hazendonk, T. Schwinghamer, M. Chantigny, S. Fonteyne, N.Verhulste "Tillage-residues affect mineral-associated organic matter on Vertisols in northern Mexico" Geoderma Regional 2021, 27, 430.

Stacey Wetmore

  1. J. Bykowski, D. Turnbull, N. Hahn, R. Boer茅, S. D. Wetmore, M. Gerken* "Lewis-Acid Behaviour of MoF5 and MoOF4: Syntheses and Characterization of MoF5(NCCH3), MoF5(NC5H5)n and MoOF4(NC5H5)n (n = 1, 2)" Inorganic Chemistry 2021, 60(20), 15695-15711.
  2. P. A. R. Chukka, S. D. Wetmore* and N. Thakor*,"Canonical and Non-canonical Roles of Eukaryotic Translation Initiation Factor 5B (eIF5B)", Frontiers in Genetics 2021.
  3. B.T.A. Boychuk, Y.E.R. Jeong and S. D. Wetmore*, "An Assessment of the Accuracy of DFT Predicted Li+鈥揘ucleic Acid Binding Energies", Journal of Chemical Theory and Computation 2021, 17(8), 5392-5408 (2021).
  4. D. Turnbull, S. D. Wetmore, M. Gerken* "Stabilisation of [WVF4]+ by N- and P-Donor Ligands: Second-Order Jahn-Teller Effects in Octacoordinate d1 Complexes" Chemistry - A European Journal 2021, 27(44), 11335-11343.
  5. R. W. Kung, T. K. Deak, C. A. Griffith-Salik, N. A. Takyi and S. D. Wetmore*, "Impact of DNA Adduct Size, Number, and Relative Position on the Toxicity of Aromatic Amines: A Molecular Dynamics Case Study of ANdG- and APdG-Containing DNA Duplexes", Journal of Chemical Information and Modeling 2021, 61(5), 2313-2327.
  6. P. Bhutani, M.T. Murray, C. W. Sommer, K. A. Wilson and S. D. Wetmore*, "Structural Rationalization for the Nonmutagenic and Mutagenic Bypass of the Tobacco-Derived O4-4-(3-Pyridyl)-4-oxobut-1-yl-thymine Lesion by Human Polymerase eta: A Multiscale Computational Study", Chemical Research in Toxicology 2021, 34(6), 1619-1629.
  7. K. A. Wilson, R. W. Kung, S. D鈥檚ouza and S. D. Wetmore*, "Anatomy of noncovalent interactions between the nucleobases or ribose and p-containing amino acids in RNA鈥損rotein complexes", Nucleic Acid Research 2021, 49(4), 2213-2225.
  8. D. Turnbull, P. Chaudhary, P. Hazendonk, S. D. Wetmore, M. Gerken* "Chalcogen versus Dative Bonding in [SF3]+ Lewis Acid-Base Adducts: [SF3(NCCH3)2]+, [SF3(NC5H5)2]+, and [SF3(phen)]+ (phen = 1,10-phenanthroline)" Inorganic Chemistry 2021, 60(6), 3893-3901. (HIGHLIGHTED in Trendberichte in Nachrichten aus der Chemie, 2022, 70(2), 49)

Ren茅 Boer茅

  1. P. Junker, J.M. Villalba Franco, G. Schnakenburg, V. Nesterov*, R.T. Boer茅*, Z.-W. Qu*, and R. Streubel*, 鈥淔ormation and properties of phosphaquinomethane tungsten(0) complexes 鈥 isolation and conversion of primary radical coupling products鈥, Dalton Transactions 2020, 49, 13544-13548. .
  2. L. El Foujji, K. El Bourakadi, M.E.M. Mekhzouma, E.M. Essassib, R.T. Boer茅, A.E.K. Qaissa, R. Bouhfid*, 鈥淪ynthesis, Crystal Structure, Spectroscopic, Thermal Properties and DFT Calculation of a Novel Ethyl 2-(2-(thiazol-4-yl)-1H-benzimidazol-1-yl)acetate鈥, Journal of Molecular Structure 2020, 1209, 127939:1-10. .
  3. I.O. Shotonwa*and R.T. Boer茅, 鈥淪tructural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives鈥, European Journal of Chemistry 2020, 11, 6-14.
  4. F. Marszaukowski*, K. Wohnrath and R.T. Boer茅, 鈥淏ulky 2,6-disubstituted aryl siloxanes and a disilanamine鈥 Acta Crystallographica, Section E: Crystallographic Communications 2020, E76. .
  5. N.R. Naz, G. Schnakenburg, A. Mikeh谩zi, Z. Kelemen, L. Nyul谩szi, R.T. Boer茅 and R. Streubel*, 鈥Janus bis(NHC)s tuned by heteroatom-bridge oxidation states鈥, Chemical Communications 2020, 56, 2646-2649. .
  6. K. El Bourakadi, M.E.M. Mekhzoum, R.T. Boer茅, A. E.K. Qaiss, R. Bouhfid*, 鈥淪ynthesis, characterization and DFT studies of 6-bis(2-(thiazol-4-yl)-benzimidazol-1-yl)hexane hemihydrate crystal : Experimental and theoretical investigation鈥, Journal of Molecular Structure 2020, 1202, 12753:1-11.

Michael Gerken

  1. D. Turnbull, P. Chaudhary, D. Leenstra, P. Hazendonk, S. D. Wetmore, M. Gerken* "Reactions of Molybdenum and Tungsten Oxide Tetrafluoride with Sulfur(IV) Lewis Bases: Structure and Bonding in [WOF4]4, MOF4(OSO), and [SF3][M2O2F9] (M = Mo, W)" Inorganic Chemistry 2020, 59, 17544-17554.
  2. D. Turnbull, M. Gerken* "Crystal structure of an ordered [WOF5]鈥 salt: [1,10-phen-H][WOF5] (1,10-phen = 1,10 phenanthroline)" Acta Crystallographica Section E 2020, E76, 1345-1348.
  3. N. Kostiuk, J. T. Goettel, M. Gerken* "Synthesis and Characterization of SF4 Adducts with Polycyclic Amines" Inorganic Chemistry 2020, 59, 8620-8628. (Included in the virtual issue "Inorganic Synthesis in Uncommon Reaction Media")
  4. D. Turnbull, P. Hazendonk, S. D. Wetmore, M. Gerken* "Stabilization of [WF5]+ and WF5 by Pyridine: Facile Access to [WF5(NC5H5)3]+ and WF5(NC5H5)2" Chemistry - A European Journal, 2020, 26, 6879-6886.

Paul Hayes

  1. C. S. MacNeil, S.-J. Hsiang, P. G. Hayes* 鈥淩eversible Dehydrogenation of Primary Aryl Boranes鈥 Chemical Communications 2020, 56, 12323-12326. (FRONT COVER OF JOURNAL)
  2. T. K. K. Dickie, A. A. Aborawi, P. G. Hayes* 鈥淎 Diphosphazide-supported Trialkyl Thorium(IV) Complex鈥 Organometallics 2020, 39, 2047-2052.
  3. T. K. K. Dickie, C. S. MacNeil, P. G. Hayes* 鈥淐onsecutive N2 Loss from a Uranium Diphosphazide Complex鈥 Dalton Transactions 2020, 49, 578-582. (BACK COVER OF JOURNAL)
  4. C. S. MacNeil, A. O. Ogweno, S. O. Ojwach, P. G. Hayes* 鈥淒ichlorobis[2-pyridin-2-yl-kN)-1H-benzimidazole-kN3)nickel(II) monohydrate鈥 IUCrData 2020, 5, x200040.

Paul Hazendonk

  1. D. Turnbull, P. Chaudhary, D. Leenstra, P. Hazendonk, S. D. Wetmore, M. Gerken* "Reactions of Molybdenum and Tungsten Oxide Tetrafluoride with Sulfur(IV) Lewis Bases: Structure and Bonding in [WOF4]4, MOF4(OSO), and [SF3][M2O2F9] (M = Mo, W)" Inorganic Chemistry 2020, 59, 17544-17554.
  2. D. Turnbull, P. Hazendonk, S. D. Wetmore, M. Gerken* "Stabilization of [WF5]+ and WF5 by Pyridine: Facile Access to [WF5(NC5H5)3]+ and WF5(NC5H5)2" Chemistry - A European Journal, 2020, 26, 6879-6886.
  3. FM Kouhestani, J Byrne, D Johnson, L Spencer, B Brown, P Hazendonk, J Scott. "Multi-criteria PSO-based optimal design of grid-connected hybrid renewable energy systems" International Journal of Green Energy 2020, 17, 617-631.

Stacey Wetmore

  1. D. Turnbull, P. Chaudhary, D. Leenstra, P. Hazendonk, S. D. Wetmore, M. Gerken* "Reactions of Molybdenum and Tungsten Oxide Tetrafluoride with Sulfur(IV) Lewis Bases: Structure and Bonding in [WOF4]4, MOF4(OSO), and [SF3][M2O2F9] (M = Mo, W)" Inorganic Chemistry 2020, 59, 17544-17554. 155.
  2. M. D. Gray, P. S. Deore, A. J. Chung, A. J. Van Riesen, R. Manderville,* P. Seelam Prabhakar and S. D. Wetmore,* "Lighting Up the Thrombin-Binding Aptamer G-Quadruplex with an Internal Cyanine-Indole-Quinolinium Nucleobase Surrogate. Direct Fluorescent Intensity Readout for Thrombin Binding without Topology Switching", Bioconjugate Chemistry 2020, 32(11), 2596鈥2606.
  3. K. D. Sharma, P. Kathuria, S. D. Wetmore,* and P. Sharma* "Can Modified DNA Base Pairs with Chalcogen Bonding Expand the Genetic Alphabet? A Combined Quantum Chemical and Molecular Dynamics Simulation Study", Physical Chemistry Chemical Physics 2020, 22(41), 23754 鈥 23765.
  4. P. Kathura, P. Matharu, P. Sharma,* and S. D. Wetmore,* "Replication of the Aristolochic Acid I Adenine Adduct (ALI-N6-A) by a Model Translesion Synthesis DNA Polymerase: Structural Insights on the Induction of Transversion Mutations from Molecular Dynamics Simulations", Chemical Research in Toxicology 2020, 33(10), 2573鈥2583.
  5. S. A. P. Lenz, D. Li, and S. D. Wetmore,* "Insights into the Direct Oxidative Repair of Etheno Lesions: MD and QM/MM Study on the Substrate Scope of ALKBH2 and AlkB", DNA repair 2020, 96, 102944.
  6. D. Turnbull, P. Hazendonk, S. D. Wetmore, M. Gerken* "Stabilization of [WF5]+ and WF5 by Pyridine: Facile Access to [WF5(NC5H5)3]+ and WF5(NC5H5)2" Chemistry - A European Journal, 2020, 26, 6879-6886.
  7. Y. E. Jeong, S. A. P. Lenz and Stacey D. Wetmore* "A DFT Study of the Deglycosylation of Methylated, Oxidized and Canonical Pyrimidine Nucleosides in Water: Implications for Epigenetic Regulation and DNA Repair", Journal of Physical Chemistry B 2020, 124(12), 2392鈥2400.
  8. R. Kaur, D. J. Nikkel and S. D. Wetmore* "Computational Studies of DNA Repair: Insights into the Function of Monofunctional DNA Glycosylases in the Base Excision Repair Pathway", WIREs Computational Molecular Science 2020, 10(5), e1471. (INVITED FOCUSED ARTICLE)
  9. T. W. Manning, R. Manderville,* P. D. Josephy,* R. W. Kung and S. D. Wetmore,* "Structure of an Unusual Tetracyclic Deoxyguanosine Adduct: Implications for Frameshift Mutagenicity by Ortho-Cyano Nitroanilines", Chemical Research in Toxicology 2020, 33(2), 584-593.

Ren茅 Boer茅

  1. F. Mostaghimi, E. Lork, I. Hong, T. L. Roemmele, R. T. Boer茅*, S. Mebs* and J. Beckmann* 鈥淭he reaction of phenoxatellurine with single-electron oxidizers revisited鈥, New Journal of Chemistry, 2019, 43, 12754-12766. .
  2. F. Marszaukowski, I.D.L. Guimar茫es, J.P. da Silva, L.H. da Silveira Lacerda, S.R. de Lazaro, M.P. de Araujo, P. Castellen, T.T. Tominaga, R.T. Boer茅 and K. Wohnrath* "Ruthenium(II)-arene complexes with monodentate aminopyridine ligands: insights into redox stability, electronic structures and biological activity", Journal of Organometallic Chemistry 2019, 881, 66-78. .

Michael Gerken

  1. D. Turnbull, S. D. Wetmore, M. Gerken* "Stabilization of [WF5]+ by Bidentate N-Donoar Ligands" Angewandte Chemie 2019, 131, 13169-13172; Angewandte Chemie, International Edition 2019, 58, 13035-13038.
  2. D. Turnbull, S. D. Wetmore, M. Gerken* "Synthesis, Characterization, and Lewis-Acid Behaviour of [W(NC6F5)F4]x, and Computational Study of W(NR)F4 (R = H, F, CH3, CF3, C6H5, C6F5), W(NC6F5)F4(NCCH3), and W(NC6F5)F4(NC5H5)n (n = 1, 2)" Inorganic Chemistry 2019, 58(9), 6363-6375.
  3. D. Stuart, S. D. Wetmore, M. Gerken "Syntheses, Characterization, and Computational Study of AsF5 Adducts with Ketones" Journal of Fluorine Chemistry 2019, 221, 9-16. (INVITED, Award Issue for Noria Shibata, awardee of ACS Award for Creative Work in Fluorine Chemistry, 2019)

Paul Hayes

  1. C. S. MacNeil, K. E. Glynn, P. G. Hayes* 鈥淎n H-Substituted Rhodium Silylene Complex鈥 Chemstry 鈥 A European Journal 2019, 25, 8203-8207. (JOURNAL FRONTISPIECE; Selected as a 鈥淗ot Paper鈥)
  3. D. J. Webb, P. G. Hayes* 鈥淶inc Complexes of Phosphinimine-NEN-Pincer Ligands (E = O,S)鈥 Submitted to Inorganic Synthesis March 2019. (Invited Submission)

Paul Hazendonk

  1. F Mansouri Kouhestani*, J Byrne*, L Spencer, P Hazendonk, B Brown, D Johnson. 鈥滱 comprehensive assessment of solar and wind energy potential at the 免费福利资源在线看片 of Lethbridge campus, a medium-sized western Canadian university鈥 International Journal of Green Energy. 2019, 16(14), 1246-1263.
  2. Fariborz Mansouri Kouhestani*, James Byrne, Dan Johnson, Locke Spencer, Paul Hazendonk, Bryson Brown 鈥滶valuating solar energy technical and economic potential on rooftops in an urban setting: the city of Lethbridge, Canada鈥 International Journal of Energy and Environmental Engineering. 2019, 10(1), 13-32.

Stacey Wetmore

  1. P. Bhutani, D. J. Nikkel, K. A. Wilson and S. D. Wetmore,* "Computational Insight into the Differential Mutagenic Patterns of O-methylthymine Lesions", Chemical Research in Toxicology 2019, 32(10), 2107-2117.
  2. D. Turnbull, S. D. Wetmore, M. Gerken* "Stabilization of [WF5]+ by Bidentate N-Donoar Ligands" Angewandte Chemie 2019, 131, 13169-13172; Angewandte Chemie, International Edition 2019, 58, 13035-13038.
  3. P. Seelam Prabhakar, R. Manderville and S. D. Wetmore,* "Impact of the position of the chemically modified 5-furyl-2使-deoxyuridine nucleoside on the thrombin DNA aptamer鈥損rotein complex: Structural insights into aptamer response from MD simulations", Molecules 2019, 24(16), 2908). (Invited Article for Special Issue titled Discovery, Design, Synthesis, and Application of Nucleoside/Nucleotides)
  4. P. Kathura, P. Singh, P. Sharma, R. Manderville and S. D. Wetmore,* "Molecular dynamics study of one-base deletion duplexes containing the major DNA adduct formed by ochratoxin A: Effects of sequence context and adduct ionization state on lesion site structure and mutagenicity", Journal of Physical Chemistry B 2019, 123(32), 6980鈥6989.
  5. K. A. Wilson, J. L. Garden, N. Wetmore, L. R. Felske and S. D. Wetmore,* "DFT and MD studies of formaldehyde-derived DNA adducts: Molecular level insights into the differential mispairing potentials of the adenine, cytosine and guanine lesions", Journal of Physical Chemistry A 2019, 123(29), 6229-6240. (Invited Article for the Journal of Physical Chemistry virtual special issue 鈥淟eo Radom Festschrift鈥)
  6. 142. M. Aboelnga and S. D. Wetmore,* "Unveiling A Single-Metal Mediated Phosphodiester Bond Cleavage Mechanism for Nucleic Acids: A Multiscale Computational Investigation of a Human DNA Repair Enzyme", Journal of the American Chemical Society 2019, 141(21), 8646-8656.
  7. K. Bian, S. A. P. Lenz, Q. Tang, F. Chen, R. Qi, M. Jost, C. Drennan, J. Essigmann, S. D. Wetmore,* D. Li,* "DNA Repair Enzymes ALKBH2, ALKBH3, and AlkB Biochemically Oxidize 5-Methylcytosine to 5-Hydroxymethylcytosine, 5-Formylcytosine, and 5-Carboxylcytosine", Nucleic Acids Research 2019, 47(11), 5522-5529 (2019).
  8. D. Turnbull, S. D. Wetmore, M. Gerken* "Synthesis, Characterization, and Lewis-Acid Behaviour of [W(NC6F5)F4]x, and Computational Study of W(NR)F4 (R = H, F, CH3, CF3, C6H5, C6F5), W(NC6F5)F4(NCCH3), and W(NC6F5)F4(NC5H5)n (n = 1, 2)" Inorganic Chemistry 2019, 58(9), 6363-6375.
  9. S. Kaur, P. Sharma* and S. D. Wetmore,* "Can Cyanuric Acid and 2,4,6-Triaminopyrimidine Containing Ribonucleosides be Components of Prebiotic RNA? Insights from QM Calculations and MD Simulations", ChemPhysChem, 2019, 20(11), 1425-1436. (INVITED JOURNAL COVER)
  10. D. Stuart, S. D. Wetmore, M. Gerken "Syntheses, Characterization, and Computational Study of AsF5 Adducts with Ketones" Journal of Fluorine Chemistry 2019, 221, 9-16. (INVITED, Award Issue for Noria Shibata, awardee of ACS Award for Creative Work in Fluorine Chemistry, 2019) 137.
  11. K. A. Wilson, P. A. Fernandes, M. J. Ramos, and S. D. Wetmore,* "Exploring the Identity of the General Base for a DNA Polymerase Catalyzed Nucleotidyl Transfer Reaction: A Computational Investigation of Human TLS Polymerase 畏", ACS Catalysis 2019, 9(3), 2543-2551 (2019).
  12. 136. A. Chung, P. Doere, M. S. Al-Abdul-Wahid, M. Aboelnga, S. D. Wetmore,* and R. A. Manderville* "Acceptor Influence on Thiolate Sensing by Hemicyanine Dyes", Journal of Organic Chemistry 2019, 84(4), 2261-2268 (2019).
  13. K. A. Wilson, C. D. Holland and S. D. Wetmore,* "Uncovering a unique approach for damaged DNA replication: A computational investigation of a mutagenic tobacco-derived thymine lesion", Nucleic Acids Research 2019, 47(4), 1871-1879.

Ren茅 Boer茅

  1. R.T. Boer茅, "Experimental and computational evidence for 'double pancake bonds'; the role of dispersion-corrected DFT methods in strongly dimerized 5-aryl-1位2,3位2-dithia-2,4,6-triazines", ACS Omega, 2018, 3, 18170-18180. .
  2. I. Begum, G. Schnakenburg, Z. Kelemen, L. Nyul谩szi*, R.T. Boer茅 and R. Streubel* "Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation", Chemical Communications, 2018, 54, 13555-13558. .
  3. I.O. Shotonwa and R.T. Boer茅*, "1-Methyl-4-thiocarbamoylpyridin-1-ium iodide", IUCrData, 2018, 3, x181491. .
  4. I.D.L. Guimar茫es, J.R. Garcia, K. Wohnrath*and R.T. Boer茅*, 鈥淐hemical and electrochemical oxidations of tris(3,5-di-tert-butylphenyl)phosphine. High Z鈥 crystal structures and conformational effects associated with bulky meta substituents鈥, European Journal of Inorganic Chemistry, 2018, 3606-3614. (VIP ARTICLE and JOURNAL COVER) .
  5. N.D.D. Hill and R.T. Boer茅*, 鈥淭wo tris(3,5-disubstituted-phenyl)-phosphines and their isostructural P(V) oxides鈥, Acta Crystallographica Section E, Crystallographic Communications, 2018, E74, 889-894. .
  6. K.S. Unikela, T.L. Roemmele, V. Houska, K. McGrath, D. M. Tobin, L.N. Dawe, R.T. Boer茅* and G.J. Bodwell*, "Gram-scale synthesis and highly regioselective bromination of 1,1,9,9-tetramethyl[9](2,11)teropyrenophane", Angewandte Chemie International Edition, 2018, 57, 1707-1711. .
  7. X. Yu, T.L. Roemmele and R.T. Boer茅*, "Synthesis, electronic structures and electrochemistry of 3-triarylphosphoraniminato-1,3,5-trithia-2,4,6,8-tetrazocines. Detection of trithiatetrazocinyl radical anions", ChemElectroChem, 2018, 5, 968鈥978. (INVITED PAPER) .
  8. B.M. Barry, R.G. Soper, J.P. Hurmalainen, K.N. Robertson, W.L. McClennan, A.J. Veinot, T.L. Roemmele, U. Werner-Zwanziger, R.T. Boer茅*, H.M. Tuononen*, J.A.C. Clyburne*, J.D. Masuda*, "Mono- and bis-imidazolidinium ethynyl cations and the reduction of the latter to give an extended bis-1,4-([3]cumulene)-p-carbo-quinoid system", Angewandte Chemie International Edition, 2018, 57, 749-754. .
  9. L. Mokhtabad Amrei and R.T. Boer茅*,鈥淗ydrogen-bonded networks in oxygen-coordinated monoamide complexes of zinc(II)鈥, Canadian Journal of Chemistry, 2018, 96, 621-628. (INVITED PAPER) .

Michael Gerken

  1. D. Turnbull, N. Kostiuk, S. D. Wetmore, M. Gerken "Syntheses, Characterisation, and Computational Studies of Tungsten Hexafluoride Adducts with Pyridine and Its Derivatives" Journal of Fluorine Chemistry 2018, 215, 1-9. (INVITED, Award Issue for Erhard Kemnitz, awardee of ACS Award for Creative Work in Fluorine Chemistry, 2018)

Paul Hayes

  1. C. S. MacNeil, K. E. Glynn, P. G. Hayes*.鈥淔acile Activation and Deoxygenative Metathesis of CO鈥 Organometallics 2018, 37, 3248-3252.

Paul Hazendonk

  1. J Miller*, P Hazendonk, C Drury "Influence of Manure Type and Bedding Material on Carbon Content of Particulate Organic Matter in Feedlot Amendments using 13C NMR-DPMAS" Compost Science and Utilization 2018, 26, 27-39.
  2. C Anand, B Berno, S Boulton, MA Brook, R Epand, TR Field, GR Goward, P Hazendonk,G Melacini. "A tribute to Alexander Davidson Bain: An NMR pioneer and mentor at McMaster 免费福利资源在线看片" Concepts in Magnetic Resonance 2018, 45A: e21418.

Stacey Wetmore

  1. S.A.P. Lenz and S. D. Wetmore,* "Structural Explanation for the Tunable Substrate Specificity of Nucleoside Hydrolases: Insights from Molecular Dynamics Simulations", Journal of Computer-Aided Molecular Design, 2018, 32(12), 1375-1388.
  2. K. A. Wilson, J. L. Garden, N. T. Wetmore and S. D. Wetmore,* "Computational Insight into the Mutagenicity of Two Tobacco Derived Carcinogenic DNA Lesions", Nucleic Acids Research, 2018, 46(22), 11858鈥11868.
  3. D. Turnbull, N. Kostiuk, S. D. Wetmore, M. Gerken "Syntheses, Characterisation, and Computational Studies of Tungsten Hexafluoride Adducts with Pyridine and Its Derivatives" Journal of Fluorine Chemistry 2018, 215, 1-9. (INVITED, Award Issue for Erhard Kemnitz, awardee of ACS Award for Creative Work in Fluorine Chemistry, 2018)
  4. P. Kathuria, P. Sharma, R. Manderville and S. D. Wetmore,* "Molecular dynamics simulations of mismatched DNA duplexes associated with the major C8-linked 2使-deoxyguanosine adduct of the food mutagen ochratoxin A: Influence of opposing base, adduct ionization state and sequence on the structure of damaged DNA", Chemical Research in Toxicology, 2018, 31(8), 712-720.
  5. H. A. Dahlmann, F. D. Berger, R. W. Kung, L. A. Wyss, I. Gubler, M. McKeague, S. D. Wetmore and S. J. Sturla,* " Fluorescent elongated hydrophobic nucleobase analogues stabilize DNA duplexes containing O6-alkylguanine adducts", Helvetica Chimica Acta, 2018, 101, e1800066.
  6. R. W. Kung, P. Sharma and S. D. Wetmore,* "Effect of the size and shape of nitrogen-containing aromatics on the conformational preferences of DNA containing damaged guanine: Insights from quantum chemical calculations and molecular dynamics simulations", Journal of Chemical Information and Modeling, 2018, 58, 1415-1425.
  7. A. Cai, K. A. Wilson, S. Patnaik, S. D. Wetmore and B. P. Cho,* "DNA Base Sequence Effects on Bulky Lesion-Induced Conformational Heterogeneity during Simulated Translesion Synthesis", Nucleic Acids Research, 2018, 46(12), 6356-6370 (2018).
  8. A. J. Van Riesen, K. L. Fadock, P. S. Deore, A. Desoky, R. A. Manderville,* S. Sowlati-Hashjin and S. D. Wetmore,* "Manipulation of a DNA Aptamer-Protein Binding Site through Arylation of Internal Guanine Residues", Organic and Biomolecular Chemistry 2018, 16, 3831-3840.
  9. S. Sowlati-Hashjin and S. D. Wetmore,* "Structural Insight into the Discrimination between 8-oxoguanine Glycosidic Conformers by DNA Repair Enzymes: A Molecular Dynamics Study of hOgg1 and FPG", Biochemistry, 2018, 57(7), 1144-1154.
  10. L. R. Felske, S. A. P. Lenz and S. D. Wetmore,* "Quantum Chemical Studies of the Structure and Stability of N-Methylated DNA Nucleobase Dimers: Insights into the Mutagenic Base Pairing of Damaged DNA", Journal of Physical Chemistry A, 2018, 122(1), 410-419. (Invited Article for a special virtual issue in honor of Dr. Manuel Yanez and Dr. Otilia Mo).
  11. F. D. Berger, S. J. Sturla,* R. W. Kung, T. Montina, S. D. Wetmore* and R. A. Manderville,* "Conformational Preference and Fluorescence Response of a C-Linked C8-Biphenyl-Guanine Lesion in the NarI Mutational Hotspot: Evidence for Enhanced Syn Adduct Formation", Chemical Research in Toxicology, 2018, 31(1), 37鈥47.

Ren茅 Boer茅

  1. R.T. Boer茅*and N.D.D. Hill, "High Z鈥 structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls", CrystEngComm, 2017, 19, 3698 鈥 3707. .
  2. S. Machado, G.N. Cala莽a, J.P. da Silva, M.P. de Araujo, R.T. Boer茅, C. A. Pess么a and K. Wohnrath* "Electrochemical characterization of a carbon ceramic electrode modified with a Ru(II) arene complex and its application as voltammetric sensor for paracetamol", Journal of The Electrochemical Society, 2017, 164, B314-B320. .
  3. T. Gietz and R.T. Boer茅* "Backbone-substituted b-ketoimines and ketiminate clusters: transoid Li2O2 squares and D2-symmetric Li4O4 cubanes. Synthesis, crystallography and DFT calculations", Inorganics, 2017, 5, 30:1-20. (INVITED PAPER .
  4. S.V. Klementyeva, N.P. Gritsan, M.M. Khusniyarov, A. Witt, A.A. Dmitriev, E.A. Suturina, N.D.D. Hill, T.L. Roemmele, M.T. Gamer, R.T. Boer茅, P.W. Roesky, A.V. Zibarev and S.N. Konchenko* 鈥淭he first lanthanide complexes with a redox-active sulphur diimide ligand: synthesis and characterization of [LnCp*2(RN=)2S], Ln = Sm, Eu, Yb; R = SiMe3鈥, Chemistry 鈥 A European Journal, 2017, 23, 1278鈥1290.(FRONTISPIECE ARTICLE: HOT PAPER) .

Michael Gerken

  1. D. Stuart, S. D. Wetmore, M. Gerken,* "Solid-State Structure of Protonated Ketones and Aldehydes" Angewandte Chemie 2017, 129, 16598 - 16602; Angewandte Chemie, International Edition 2017, 56, 16380-16384. (HIGHLIGHTED in Nature Nov 10, 2017; in Nachrichten aus der Chemie, 2018, 66(2), 106, as well as the local media (TV and Newspaper).
  2. D. Turnbull, S. D. Wetmore, M. Gerken* "Syntheses and Characterization of W(NC6F5)F5鈭 and W2(NC6F5)2F9鈭 Salts and Computational Studies of the W(NR)F5鈭 (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9鈭 Anions" Inorganic Chemistry 2017, 56, 12581-12593.
  3. R. Dutta Majumdar, T. Montina, O. C. Mullins, M. Gerken, P. Hazendonk* "Insights into Asphaltene Aggregate Structure Using Ultrafast MAS Solid-state 1H NMR Spectroscopy" Fuel 2017, 193, 359-368.

Paul Hayes

  1. C. S. MacNeil, T. K. K. Dickie, P. G. Hayes*. 鈥淎ctinide Pincer Chemistry: A New Frontier鈥 In The Chemistry of Pincer Compounds, Vol 2; Morales-Morales, D., Ed.; Elsevier: Cambridge, 2017, 133-172. (Invited Submission)
  2. J. P. Knott, M. M. H盲nninen, J. M. Rautianinen, H. M. Tuononen, P. G. Hayes 鈥淚nsights into the Decomposition Pathway of a Lutetium Alkylamido Complex via Intramolecular C鈥揌 Bond Activation鈥 Journal of Organometallic Chemistry 2017, 845, 135-143. (Invited Submission in Special Issue Dedicated to Gerard van Koten)

Paul Hazendonk

  1. JJ Miller, BW Beasley, P Hazendonk, CF Drury and DS Chanasyk "Influence of Long-term Application of Feedlot Manure Amendments on Water Repellency of a Clay Loam Soil" Journal of Environmental Quality 2017, 46, 667-675.
  2. JT Pepper, P Maheshwari, A Ziemienowicz, P Hazendonk, I Kovalchuk, F Eudes "Tetraphosphonium Bromide Reduces Size and Polydispersity Index of Tat2:siRNA Nano-Complexes for Triticale RNAi" Frontiers in Molecular Biosciences 2017, 4, 30.
  3. R. Dutta Majumdar, T. Montina, O. C. Mullins, M. Gerken, P. Hazendonk* "Insights into Asphaltene Aggregate Structure Using Ultrafast MAS Solid-state 1H NMR Spectroscopy" Fuel 2017, 193, 359-368.
  4. F Faghihi, P Hazendonk* "RAFT polymerization, characterization, and post-polymerization modification of a copolymer of vinylbenzyl chloride: Towards thiolate functionalized copolymers" Polymer 2017, 128, 31-39.

Stacey Wetmore

  1. . A. P. Lenz and S. D. Wetmore* "QM/MM Study of the Reaction Catalyzed by Alkyladenine DNA Glycosylase: Examination of the Substrate Specificity of a DNA Repair Enzyme", Journal of Physical Chemistry B, 2017, 121(49), 11096-11108.
  2. D. Stuart, S. D. Wetmore, M. Gerken,* "Solid-State Structure of Protonated Ketones and Aldehydes" Angewandte Chemie 2017, 129, 16598 - 16602; Angewandte Chemie, International Edition 2017, 56, 16380-16384. (HIGHLIGHTED in Nature Nov 10, 2017; in Nachrichten aus der Chemie, 2018, 66(2), 106, as well as the local media (TV and Newspaper).
  3. S. Kaur, P. Sharma* and S. D. Wetmore,* "Structural and electronic properties of barbituric acid and melamine-containing ribonucleosides as plausible components of prebiotic RNA: Implications for prebiotic self-assembly", Physical Chemistry Chemical Physics 2017, 19(45), 30762-30771.
  4. D. Turnbull, S. D. Wetmore, M. Gerken* "Syntheses and Characterization of W(NC6F5)F5鈭 and W2(NC6F5)2F9鈭 Salts and Computational Studies of the W(NR)F5鈭 (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9鈭 Anions" Inorganic Chemistry 2017, 56, 12581-12593.
  5. K. A. Wilson and S. D. Wetmore,* "Conformational Flexibility of the Benzyl-guanine Adduct in a Bypass Polymerase Active Site Permits Replication: Insights from Molecular Dynamics Simulations", Chemical Research in Toxicology 2017, 30(11), 2013-2022. (Invited Article for a special issue entitled "DNA polymerases: From molecular mechanisms to human disease")
  6. P. Kathuria, P. Sharma, R. A. Manderville and S. D. Wetmore,* "Molecular Modeling of the Major DNA Adduct Formed from the Food Mutagen Ochratoxin A in NarI 2-base Deletion Duplexes: Impact of Sequence Context and Adduct Ionization on Conformational Preference and Mutagenicity", Chemical Research in Toxicology 2017, 30(8), 1582-1591.
  7. I. Negi, P. Kathuria, P. Sharma* and S. D. Wetmore,* "How do Hydrophobic Nucleobases Differ from Natural DNA Nucleobases? Comparison of Structural Features and Duplex Properties from QM Calculations and MD Simulation", Physical Chemistry Chemical Physics, 2017, 19(25), 16365-16374. (Themed Collection 2017 PCCP HOT Articles)
  8. K. A. Wilson, K. G. Szemethy and S. D. Wetmore,* "Conformational Flexibility and Base-Pairing Tendency of the Tobacco Carcinogen O6-[4-oxo-4-(3-pyridyl)butyl]guanine", Biophysical Chemistry 2017, 228, 23-37.
  9. K. A. Wilson and S. D. Wetmore,* "Combining Crystallographic and Quantum Chemical Data to Understand DNA-protein 蟺-Interactions in Nature", Structural Chemistry 2017, 28(5), 1487鈥1500 (Invited Article in honor of Lou Massa).
  10. R. A. Manderville* and S. D. Wetmore,* "Mutagenicity of Ochratoxin A: Role for a Carbon-Linked C8-Deoxyguanosine Adduct", Journal of Agricultural and Food Chemistry 2017, 65(33), 7097-7105 (Invited Review for Special Issue titled Public Health Perspectives of Mycotoxins in Food).
  11. K. A. Wilson and S. D. Wetmore,* "Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence for Mutagenic and Non-Mutagenic Replication", Biochemistry 2017, 56(13), 1841-1853.
  12. R. A. Manderville* and S. D. Wetmore,* "Understanding the Mutagenicity of O-linked and C-linked Guanine DNA Adducts: A Combined Experimental and Computational Approach", Chemical Research in Toxicology. 2017, 30(1), 177-188 (INVITED PERSPECTIVE).

Ren茅 Boer茅

1. O.N.J.M. Marasco, S.K. Wolny, J.P. Knott, D. Stuart, T.L. Roemmele and R.T. Boer茅* 鈥淐rystal structure of bis(triphenylphosphonium) hexabromodigallate(II) in the correct space group: conformational complexity in a heteroethane鈥, Cogent Chemistry, 2016, 2, 1273065. . (INVITED SUBMISSION).

2. C.S. MacNeil, K.R.D. Johnson, P.G. Hayes and R.T. Boer茅* 鈥淐rystal structure of a dimeric 飦-diketiminate magnesium complex鈥, Acta Crystallographica Section E, Crystallographic Communications, 2016, E72, 1754-1756. .

3. R.T. Boer茅,* 鈥淪hort contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound鈥, CrystEngComm, 2016, 18, 2748-2756. . Gold open access.

4. S.A. Okeh and R.T. Boer茅,* 鈥淐oordination polymers from main group ring compounds鈥, Phosphorus, Sulfur and Silicon, 2016, 191 (4), 648-650. . Invited paper.

5. L. Mokhtabad Amrei, P.W. Dibble and R.T. Boer茅,* 鈥1,2-Bis(2,6-diisopropylphenyl)diphosphane: a Structural, Spectroscopic and Computational Investigation鈥, Canadian Journal of Chemistry, 2016, 94, 392-400. 10.1139/cjc-2015-0333. (INVITED PAPER)

6. J. D. Masuda, and R.T. Boer茅,* "Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-补尘颈苍辞(飦3,飦2)-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals鈥, Dalton Transactions, 2016, 45, 2102-2115. . (INVITED PAPER), gold open access.

Michael Gerken

1. J. T. Goettel, M. Gerken,* "Synthesis and Characterization of Adducts between Interactions between SF4 and Oxygen-Bases: Example of O---S(IV) Chalcogen Bonding" Inorganic Chemistry 2016, 55, 12441 - 12450.

2. R. Dutta Majumdar, K. D. Bake, Y. Ratna, A. E. Pomerantz, O. C. Mullins, M. Gerken, P. Hazendonk* "Single-Core PAHs in Petroleum- and Coal-Derived Asphaltenes: Size and Distribution from Solid-State NMR Spectroscopy and Optical Absorption Measurements" Energy & Fuels 2016, 30, 6892-6906.

3. J. T. Goettel, N. Kostiuk, M. Gerken,* "Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4鈭橬itrogen Base Adducts by HF" Inorganic Chemistry 2016, 55, 7126-7134.

Paul Hayes

1. S. E. Leshinski, C. A. Wheaton, H. Sun, A. J. Roering, J. M. Tanski, D. J. Fox, P. G. Hayes,* R. Waterman* 鈥淭riamisoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity and rac-Lactide Polymerization鈥 RSC Advances 2016, 6, 70581-70585.

2. C. S. MacNeil, K. R. D. Johnson, P.G.Hayes, R. T. Boer茅* 鈥淐rystal structure of 飦-diketiminate-stabilized magnesium(II) complexes: structural study of iodo-bridged dimers鈥 Acta Crystallographica., Sect. E: Struct. Rep. Online 2016, E72, 1754-1756.

3. S. E. Leshinski, C. A. Wheaton, H. Sun, A. J. Roering, J. M. Tanski, D. J. Fox, P. G. Hayes, P.G.*; Waterman R.* 鈥淭riamisoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity and rac-Lactide Polymerization鈥 RSC Adv. 2016, ASAP.

4. K R. D. Johnson, P. G. Hayes,* 鈥淟igand Influence on Intramolecular Cyclometalation in Bis(phosphinimine) Rare Earth Alkyl Complexes鈥 Canadian Journal of Chemistry 2016, 94, 330-341. (INVITED PAPER to 鈥溍夥迅＠试丛谙呖雌 of Calgary 50th Anniversary鈥 Special Issue)

5. K. R. D. Johnson, P. G. Hayes,* 鈥淪ynthesis, Structure and Reactivity of Scandium Bis(trimethylsilyl)amido Derivatives鈥 Polyhedron 2016, 108, 43-49. (Invited Submission to 鈥淢odern Canadian Inorganic Chemistry鈥 Special Issue)

6. M. M. H盲nninen, M. T. Zamora, C. S. MacNeil, J. P. Knott, P. G. Hayes,* 鈥淓lucidation of the Resting State of a Rhodium NNN-Pincer Hydrogenation Catalyst that Features A Remarkably Upfield Hydride 1H NMR Chemical Shift鈥 Chemical Communications 2016, 52, 586-589.

7. H盲nninen, M.M.; Zamora, M.T.; Hayes, P.G.* 鈥淩are Earth Pincer Complexes: Synthesis, Reaction Chemistry and Catalysis鈥 In Topics in Organometallic Chemistry; Gossage, R.A.; van Koten, G., Ed.; Springer-Verlag: Berlin, 2016, 54, 93-178. (INVITED SUBMISSION)

Paul Hazendonk

1. R. Dutta Majumdar, K. D. Bake, Y. Ratna, A. E. Pomerantz, O. C. Mullins, M. Gerken, P. Hazendonk* "Single-Core PAHs in Petroleum- and Coal-Derived Asphaltenes: Size and Distribution from Solid-State NMR Spectroscopy and Optical Absorption Measurements" Energy & Fuels 2016, 30, 6892-6906.

2. N. A. Foroud, R. A. Shank, D. Kiss, F. Eudes,* P. Hazendonk* 鈥淪olvent and water mediated structural variations in deoxynivalenol and their potential implications on the disruption of ribosomal function鈥 Frontiers in Microbiology 2016, 7, 1239.

3. S. A. Hosseini, G. Mahmoudi, P. Graczarek, P. Hazendonk,M. Abedi, M. S. Gargari 鈥淐rystal structures and Hirschfeld surface analysis calculations of mercury(II) complexes with a diiminopyridine ligand鈥 Journal of Molecular Structure, 2016, 1105, 159-168.

4. A. H. Karoyo, P. S. Sidhu, L. D. Wilson,* P. Hazendonk,* A. Borisov 鈥淐ounterion anchoring effect on the structure of the solid-state inclusion complexes of beta-cylcodextrin and sodium perfluorooctanoate鈥 Journal of Physical Chemsitry C, 2016, 119, 22225-22243.

Adriana Predoi-Cross

1. N. Jacquinet-Husson, R. Armante, N.A. Scott, A. Ch茅din, L. Cr茅peau, C. Boutammine, A. Bouhdaoui, C. Crevoisier, V. Capelle, C. Boonne, N. Poulet-Crovisier, A. Barbe, D. Chris Benner, V. Boudon, L.R. Brown, J. Buldyreva, A. Campargue, L.H. Coudert, V.M. Devi, M.J. Down, B.J. Drouin, A. Fayt, C. Fittschen, J.-M Flaud, R.R. Gamache, J. J. Harrison, C. Hill, 脴. Hodnebrog, S.-M Hu, D. Jacquemart, A. Jolly, E. Jim茅nez, N.N. Lavrentieva, A.-W. Liu, L. Lodi, O.M. Lyulin, S.T. Massie, S. Mikhailenko, H.S.P. M眉ller, O.V. Naumenko, A. Nikitin, C.J. Nielsen, J. Orphal, V.I Perevalov, A. Perrin, E. Polovtseva, A. Predoi-Cross, M. Rotger, A. A. Ruth, S.S Yu, K. Sung, S.A. Tashkun, J. Tennyson, Vl.G. Tyuterev, J. Vander Auwera, B.A. Voronin, and A. Maki, The 2015 edition of the GEISA spectroscopic database, Journal of Molecular Spectroscopy, 2016, 327, 31-37. .

2. N. Jacquinet,J.-M. Flaud, R.R. Gamache, A. Predoi-Cross, J. Vander Auwera, "New visions of spectroscopic databases: An introduction to the special issue", Journal of Molecular Spectroscopy, 326, 1-4 (2016) .

3. A. Predoi-Cross, K. Esteki, H. Rozario, H. Naseri, S. Latif, F. Thibault, V. Malathy Devi, M.A.H. Smith, A.W. Mantz, "Experimental and Theoretical He-Broadened Line Parameters of Carbon Monoxide in the Fundamental Band", Journal of Quantitative Spectroscopy and Radiative Transfer, in press .

4. A. Predoi-Cross, "The First Regional Conference on Women in Physics, Islamabad, Pakistan", Physics in Canada, 2016, 72(2), 93.

5. R. Hashemi, A. Predoi-Cross, A.S. Dudaryonok, N.N. Lavrentieva, A.C. Vandaele, J. Vander Auwera, "CO2 pressure broadening and shift coefficients for the 2鈥0 band of 12C16O", Journal of Molecular Spectroscopy 2016, 326 60-72. .

6. R. Hashemi, A. Predoi-Cross, A.V. Nikitin, Vl.G. Tyuterev, K. Sung, M.A.H. Smith, V. Malathy Devi, "Spectroscopic line parameters of 12CH4 for atmospheric composition retrievals in the 4300-4500 cm-1 region", Journal of Quantitative Spectroscopy and Radiative Transfer 2016, 177, 181-215. .

7. A. Predoi-Cross, V. Malathy Devi, P. Sutradhar, T. Sinyakova, J. Buldyreva, K. Sung, M.A.H. Smith, A.W. Mantz, "Temperature dependences of self- and N2-broadened line-shape parameters in the 谓3 and 谓5 bands of 12CH3D: Measurements and calculations", Journal of Quantitative Spectroscopy and Radiative Transfer 2016, 177, 181-215.

Stacey Wetmore

1. R. A. Manderville* and S. D. Wetmore,* "DNA Adduction by Ochratoxin A: Insight for Mechanism of Action and Aptasensor Development for Mycotoxin Detection", J. Agric. Food Chem. (2016) DOI: 10.1021/acs.jafc.6b03423 (Invited Review for Special Issue entitled Public Health Perspectives of Mycotoxins in Food).

2. K. A. Wilson and S. D. Wetmore,* "Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence for Mutagenic and Non-Mutagenic Replication", Biochemistry, (2017) DOI: 10.1021/acs.biochem.6b01247.

3. R. A. Manderville* and S. D. Wetmore,* "Understanding the Mutagenicity of O-linked and C-linked Guanine DNA Adducts: A Combined Experimental and Computational Approach", Chem. Res. Toxicol. 30(1), 177-188 (2017) (Invited Perspective).

4. S. A. P. Lenz, J. D. Kohout and S. D. Wetmore,* "Hydrolytic Glycosidic Bond Cleavage in RNA Nucleosides: Effects of the 2鈥测揌ydroxy Group and Acid鈥揃ase Catalysis", Journal of. Physical Chemistry B 120(50), 12795-12806 (2016).

5. L. Albrecht, K. A. Wilson and S. D. Wetmore,* "Computational evaluation of nucleotide insertion opposite expanded and widened DNA by the translesion synthesis polymerase Dpo4", Molecules, 2016, 21(7), 822 (INVITED PAPER for Special Issue entitled Computational Design: A New Approach to Drug and Molecular Discovery).

6. K. L. Fadock, R. A. Manderville* P. Sharma and S. D. Wetmore,* "Optimization of Fluorescent 8-Heteroaryl-Guanine Probes for Monitoring Protein-Mediated Duplex-G-Quadruplex Exchange", Org. Biomol. Chem., 2016, 14(19), 4409-4419 (FEATURE ON COVER).

7. R. A. Manderville* and S. D. Wetmore,* "C-Linked 8-Aryl Guanine Nucleobase Adducts: Biological Outcomes and Utility as Fluorescent Probes", Chemical Science ,2016, 7(6), 3482-3493 (INVITED PERSPECTIVE).

8. K. A. Wilson, D. Holland and S. D. Wetmore,* "Topology of RNA-Protein Nucleobase-Amino Acid 蟺鈥撓 Interactions and Comparison to Analogous DNA鈥損rotein 蟺鈥撓 contacts", RNA, 2016, 22(5), 696-708.

9. C. D. M. Churchill, L. A. Eriksson and S. D. Wetmore,* "DNA Distortion Caused by Uracil-Containing Intrastrand Cross-Links", Journal of. Physical Chemistry B., 2016, 120(7), 1195-1204.

10. S. A. P. Lenz and S. D. Wetmore,* "Evaluating the Substrate Selectivity of Alkyladenine DNA Glycosylase: the Synergistic Interplay of Active Site Flexibility and Water Reorganization", Biochemistry, 2016, 55(5), 798-808.

11. D. J. M. Blanchard, K. L. Fadock, M. Sproviero, P. Deore, T. Z. Cservenyi, R. Manderville,* P. Sharma and S. D. Wetmore,* "Photophysical properties of push-pull 8-aryl-deoxyguanosine probes within duplex and G-quadruplex structures", J. Mater. Chem. C., 2016, 4, 2915-2924 (Themed Issue entitled Shape Responsive Fluorophores).

12. P. Kathuria, P. Sharma and S. D. Wetmore,* "Effect of Base Sequence Context on the Conformational Heterogeneity of Aristolactam-I Adducted DNA: Structural and Energetic Insights into Sequence-Dependent Repair and Mutagenicity", Toxicol. Res., 2016, 5(1), 197-209.

13. K. A. Wilson, R. A. Wells, M. N. Abendong, C. B. Anderson, R. W. Kung and S. D. Wetmore,* "Landscape of 蟺鈥撓 and Sugar鈥撓 Contacts in DNA鈥損rotein Interactions", J. Biomol. Struct. Dyn., 2016, 34(1), 184-200.

Ren茅 Boer茅

  1. M.R. Hassan and R.T. Boer茅* "1,5-(4,4'-Dipyridyl)naphthalene" Molbank, 2015, M845 (pages 1 鈥 5). . Invited paper.
  2. C-Y. Ang, S-L. Kuan, G-K. Tan, L-Y. Goh, T. L. Roemmele, X. Yu and R. T. Boer茅* "Organometallic complexes of thiazyl rings. Synthesis, structure and DFT computational analysis of CpCr(CO)x (x = 2,3) complexes of fluorinated and non-fluorinated 1 3-1,2,4,6-thiatriazinyls, with differing Cr鈥擲 bond orders." Canadian Journal of Chemistry, 2015, 93, 181-195. . Invited paper.


Michael Gerken

  1. P. Chaudhary, J. T. Goettel, H. P. A. Mercier, S. Sowlati-Hashjin, P. Hazendonk, M. Gerken* "Lewis Acid Behavior of SF4: Synthesis, Characterization and Computational Study of SF4 Adducts with Pyridine and Pyridine-Derivatives Techniques" Chemistry 鈥 A European Journal 2015, 21, 6247-6256.
  2. R. Dutta Majumdar, M. Gerken, P. Hazendonk* "Solid-State 1H and 13C NMR Spectroscopy of Athabasca Oil Sands Asphaltenes: Evidence for Interlocking -Stacked Nanoaggregates with Intercalated Alkyl Side Chains" Energy & Fuels 2015, 29, 2790-2800
  3. J. T. Goettel, D. Turnbull, M. Gerken,* "A New Synthetic Route to Rhenium and Iodine Oxide Fluoride Anions: The Reaction between Oxoanions and Sulfur Tetrafluoride" Journal of Fluorine Chemistry 2015, 174, 8-13. (Invited paper - International Conference on Fluorine Chemistry 2014 Tokyo Edition)


Paul Hayes

  1. M. T. Zamora, S. Zahir, K. R. D. Johnson, C. J. Barnson, C. A. Wheaton, M. M. H盲nninen, P. G. Hayes* "Synthesis and Characterization of Zinc Complexes Supported by Bulky Bisphosphinimine Ligands Designed to Inihibit Intramolecular Transesterification During Lactone Polymerization" Australian. Journal of Chemistry. 2015, 68, 373-384. (Invited Manuscript for Special Issue Dedicated to Prof. Richard F. Langler)



Paul Hazendonk

  1. R. Dutta Majumdar, M. Gerken, P. Hazendonk* "Solid-State 1H and 13C NMR Spectroscopy of Athabasca Oil Sands Asphaltenes: Evidence for Interlocking ?-Stacked Nanoaggregates with Intercalated Alkyl Side Chains" Energy & Fuels 2015, 29, 2790-2800
  2. P. Chaudhary, J. T. Goettel, H. P. A. Mercier, S. Sowlati-Hashjin, P. Hazendonk, M. Gerken* "Lewis Acid Behavior of SF4: Synthesis, Characterization and Computational Study of SF4 Adducts with Pyridine and Pyridine-Derivatives Techniques" Chemistry 鈥 A European Journal 2015, 21, 6247-6256.
  3. A. Masoumi, M. S. Gargari, G. Mahmoudi,* B. Miroslaw, B. Therrien, M. Abedi, P. Hazendonk "Structural Diversity in Mercury(II) Coordination Complexes with Asymmetrical Hydrazine-Based Ligands Derived from Pyridine" Journal of Molecular Structure 2015, 1088, 64-69.
  4. F. Faghihi, P. Hazendonk,* Tony Montina "Investigation into the Mechanism and Microstructure of Reaction Intermediates in the Two-Phase Synthesis of Alkenethiol-Capped Silver Nanoparticles" Langmuir 2015, 31, 3473-3481.
  5. A. J. Rossini, M. P. Hildebrand, P. Hazendonk, R. W. Schurko* "Multinuclear solid-state NMR studies of polymer-supported scandium triflate catalysts" Journal of Physical Chemistry C 2014, 118, 22649-22662.
  6. A Masoumi, MS Gargari, G Mahmoudi, B Machura, V Lynch, G Giester, M Abedi, P Hazendonk "Structural Diversity in Manganese(II) Complexes with Multidentate N-Donor Imino Pyridyl Ligands" Zeitschrift f眉r Anorganische und. Allgemeine. Chemie 2015, 641, 1176鈥1181.

  7. A. H. Karoyo, * P. Sidhu, L. D. Wilson, P. Hazendonk "Characterization and Dynamic Properties for the Solid Inclusion Complexes of beta-Cyclodextrin and Perfluorobutyric Acid" Journal of Physical Chemistry C2014, 118, 15460-15473. 10.1021/jp502325e

Adriana Predoi-Cross

  1. A. Predoi-Cross, V. M. Devi, K. Sung, T. Sinyakova, J., D. C. Benner, M. A. H. Smith, A. Mantz, "Temperature dependences of N2-broadening and shift coefficients in the 谓6 perpendicular band of 12CH3D" Journal of Quantitative Spectroscopy and Radiative Transfer 2015, 163, 120-141.
  2. R. Hashemi, J. Garber, C. Povey, M. Derksen, H. Naseri, A. Predoi-Cross, "Doppler Thermometry of Acetylene for Accurate Measurements of the Boltzmann Constant" Journal of Chemical Physics 2014, 141, 21, 1-7.

  3. A. Ceausu-Velcescu, P. Pracna, A. Predoi-Cross, "Rovibrational spectra of DCF3 in the 2000 cm-1 region: high-resolution study of the v5=2 and v2=v5=1 levels"Journal of Molecular Spectroscopy2014, 305, 1鈥9.

Stacey Wetmore

  1. P. Kathuria, P. Sharma and S. D. Wetmore,* "Conformational Preferences of DNA Following Damage by Aristolochic Acids: Structural and Energetic Insights Into the Different Mutagenic Potential of the ALI and ALII-N6-dA Adducts", Biochemistry 2015.
  2. P. Sharma, M. Majdi Yazdi, A. Merriman, R. A. Manderville and S. D. Wetmore,* "Influence of the Linkage Type and Functional Groups in the Carcinogenic Moiety on the Conformational Preferences of Damaged DNA: Structural and Energetic Characterization of Carbon and Oxygen-Linked C8-Phenolic-Guanine Adducts", Chemical Research in Toxicology 2015.
  3. K. A. Wilson, R. A. Wells, M. N. Abendong, C. B. Anderson, R. W. Kung and S. D. Wetmore,* "Landscape of ?鈥? and Sugar鈥? Contacts in DNA鈥損rotein Interactions", Journal of Biomolecular Structure and Dynamics 2015.
  4. H. B. Hussain, K. A. Wilson and S. D. Wetmore,* "Serine and Cysteine ?鈥揑nteractions in Nature: A Comparison of the Frequency, Structure and Stability of Contacts Involving Oxygen and Sulphur", Australian Journal of Chemistry 2015, 68(3), 385鈥395. (Invited Article for Special Issue in Memory of R. Langler)
  5. M. Sproviero, A. M. R. Verwey, K. M. Rankin, A. A. Witham, D. V. Soldatov, R. A. Manderville,* M. I. Fekry, S. J. Sturla,* P. Sharma, and S. D. Wetmore,* "Structural and Biochemical Impact of C8-Aryl-Guanine Adducts within the NarI Recognition DNA Sequence: Influence of Aryl Ring Size on Targeted and Semitargeted Mutagenicity", Nucleic Acids Research 2015.
  6. P. Sharma, R. A. Manderville and S. D. Wetmore,* "Structural and Energetic Characterization of the Major DNA Adduct Formed From the Food Mutagen Ochratoxin A in the NarI Hotspot Sequence: Conformational Heterogeneity and Implications to NER Propensity", Nucleic Acids Research 2015, 42(18), 11831-11845. .
  7. A. A. Witham, P. Sharma, S. D. Wetmore, W. Gabryelski and R. A. Manderville,* "Chlorine Substitution Promotes Phenyl Radical Loss From C8-Phenoxy-2?-Deoxyguanosine Adducts: Implications for Biomarker Identification from Chlorophenol Exposure", Journal of Mass Spectrometry 2015, 50(1), 81鈥87. .

Ren茅 Boer茅

  1. P.J.W. Elder, T.L. Roemmele, M. Taghavikish, T. A. Engesser, H. Scherer, I. Krossing,* R.T. Boer茅* and T. Chivers* "Structural Changes Upon Oxidation of (PtBu2)2 and 1,4-(CH2)2(PtBu)4: Transannular P鈥揚 Interactions in Cations of the 1,4-C2P4 Ring" Heteroatom Chemistry, 2014, 25, 501-513. DOI: 10.1002/hc.21193. Invited paper.
  2. I.O. Shotonwa and R.T. Boer茅* "4-Thiocarbamoylpyridin-1-ium iodide" Acta Crystallographica Section E, Structure Reports Online, 2014, E70, o340-o341. DOI: 10.1107/S1600536814003511.
  3. R.T. Boer茅,* T.L. Roemmele and M.K. Krall "A Variable Temperature X-ray Diffraction Investigation of [PPN+][S4N5?]: Supramolecular Interactions Governing an Order/Disorder Transformation and the First High Resolution X-ray Structure of the Anion" Molecules, 2014, 19, 1956-1975. DOI: 10.3390/ molecules19021956. Invited paper.
  4. R.T. Boer茅, J. Derendorf, S. Kacprzak, C. Jenne,* M. Ke脽ler, R. Riebau, S. Riedel, T.L. Roemmele, M. R眉hle, H. Scherer, J. Warneke, T. Vent-Schmidt and S. Weber "On the Oxidation of the 3-Dimensional Aromatics [B12X12]2- (X = F, Cl, Br, I)" Chemistry 鈥 A European Journal, 2014, 20, 4447-4459. DOI: 10.1002/chem.201304405.
  5. R.T. Boer茅* "Hydrogen-bonding motifs in MS2N2H metallacycles. A crystallographic and computational study of [CpCoS2N2H][BF4] " Crystal Growth & Design, 2014, 14, 814-820. DOI: 10.1021/cg401674w.


Paul Hayes

  1. K. R. D. Johnson, P. G. Hayes "Yttrium and Scandium Complexes of a Bulky Bis(phosphinimine)carbazole Ligand" Inorganic Chimica Acta 2014, 422, 209-217. (Invited Manuscript in "Protagonists in Chemistry" Special Issue Dedicated to Prof. T. Don Tilley)
  2. K. R. D. Johnson, B. L. Kamenz, P. G. Hayes "Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes" Organometallics 2014, 33, 3005-3011. dx.doi.org/10.1021/om500226t
  3. M. T. Zamora, K. R. D. Johnson, P. G. Hayes "Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes" Dalton Transactions 2014, 43, 10739-10750. (Invited Manuscript in "The Carbon-Metal Bond and C-H Metalation" Special Issue Dedicated to Prof. William C. Kaska for his 80th birthday) DOI: 10.1039/c4dt00863d
  4. K. R. D. Johnson, P. G. Hayes "A cascade reaction: ring-opening insertion of dioxaphospholane into lutetium alkyl bonds" Dalton Transactions 2014, 43, 2448-2457. DOI: 10.1039/c3dt52790e
  5. J. S. Ritch, D. Julienne, S. R. Rybchynski, K. S. Brockman, K. R. D. Johnson, P. G. Hayes "Secondary diphosphines and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds" Dalton Transactions 2014, 43, 267-276. DOI: 10.1039/c3dt51844b


Paul Hazendonk

  1. A. J. Rossini, M. P. Hildebrand, P. Hazendonk, R. W. Schurko* "Multinuclear solid-state NMR studies of polymer-supported scandium triflate catalysts" Journal of Physical Chemistry C 2014, 118, 22649-22662. DOI: 10.1021/jp507470v
  2. A. H. Karoyo, * P. Sidhu, L. D. Wilson, P. Hazendonk "Characterization and Dynamic Properties for the Solid Inclusion Complexes of beta-Cyclodextrin and Perfluorobutyric Acid" Journal of Physical Chemistry C 2014, 118, 15460-15473. DOI: 10.1021/jp502325e
  3. E. Sosinska,* R. Przybylski, F. Aladedunye, P. Hazendonk "Spectroscopic Characterization of Dimeric Oxidation Products of Phytosterols" Food Chemistry 2014, 151, 404-414. DOI: 10.1016/j.foodchem.2013.11.079


Stacey Wetmore

  1. S. Sowlati Hashjin and S. D. Wetmore* "Computational Investigation of Glycosylase and ?-lyase Activity Facilitated by Proline: Applications to FPG and Comparisons to hOgg1", Journal of Physical Chemistry B 2014, 118(50), 14566-14577 (2014). DOI: 10.1021/jp507783d.
  2. K. A. Wilson and S. D. Wetmore* "The Complex Conformational Heterogeneity of the Highly Flexibility O6-Benzyl-Guanine DNA Adduct", Chemical Research in Toxocology 2014, 27(7), 1310-25. DOI: 10.1021/tx500178x.
  3. K. A. Wilson, J. L. Kellie and S. D. Wetmore* "DNA鈥揚rotein ?鈥揑nteractions in Nature: Abundance, Structure, Composition and Strength of Contacts between Aromatic Amino Acids and DNA Nucleobases or Deoxyribose Sugar" Nucleic Acids Research 2014, 42(10), 6726-6741. DOI: 10.1093/nar/gku269.
  4. M. Sproviero, K. L. Fadock, A. A. Witham, R. A. Manderville,* P. Sharma and S. D. Wetmore* "Electronic Tuning of Fluorescent 8-Aryl-Guanine Probes for Monitoring DNA Duplex-Quadruplex Exchange" Chemical Science 2014, 5, 788-796. DOI: 10.1039/C3SC52625A