1. Canadian Centre for Research in Advanced Fluorine Technologies
  2. Impact
  3. Publications

Publications

René Boeré

  1. J. Bykowski, D. Turnbull, N. Hahn, R.T. Boeré, S.D. Wetmore and 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, 15695-15711. https://doi.org/10.1021/acs.inorgchem.1c02380.
  2. S.L. Drescher*, C.P. Forfar, R.T. Boeré and P.G. Hayes, “X-ray crystal structure of [L2Ag3]+[OTf]−∙5C6H6: A monoanionic bisphosphinimine ligand supported trisilver complex”, Acta Crystallographica, Section E: Crystallographic Communications 2021, E77, 1025-1028. https://doi.org/10.1107/S2056989021009221.
  3. I.O. Shotonwa* and R.T. Boeré, “Crystallographic 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)”, European Journal of Chemistry 2021, 12, 179-186. https://doi.org/10.5155/eurjchem.12.2.179-186.2108.
  4. L. El Foujji, K. El Bourakadi, El M. Essassi, R.T. Boeré, A. el kacem Qaiss and R. Bouhfid*, “Solid-state Zwitterionic tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1Hbenzimidazole: synthesis, characterization, DFT calculation and docking studies”, Journal of Molecular Structure 2021, 1235, 130231:1-10. https://doi.org/10.1016/j.molstruc.2021.130231. 
  5. N.R. Naz, G. Schnakenburg, Z. Kelemen, D. Gál, L. Nyulászi*, R.T. Boeré*, and R. Streubel*, “A rigid anionic Janus bis(NHC) – new opportunities in NHC chemistry”, Dalton Transactions 2021, 50, 689-695. https://doi.org/10.1039/D0DT03915B.
  6. I. Dimbarre Lao Guimarães, F. Marszaukowski, R. Ribeiro, S. Ricardo de Lazaro, K. Mara de Oliveira, A. A. Batista, P. Castellen, E. Wrobel, J.R. Garcia, R.T. Boeré* and K. Wohnrath*, “Synthesis, structure, cytotoxic activity and Langmuir film interactions of η6-p-cymene ruthenium(II) complexes of highly lipophilic triarylphosphine ligands”, Journal of Organometallic Chemistry 2021, 931, 121599:1-11. https://doi.org/10.1016/j.jorganchem.2020.121599.

 

Michael Gerken

  1. F. O’Donnell, 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) https://doi.org/10.1002/chem.202103221
  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) https://doi.org/10.1039/d1dt02704b
  3. J. Bykowski, D. Turnbull, N. Hahn, R. Boeré, 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. https://doi.org/10.1021/acs.inorgchem.1c02380
  4. M. Gerken*, J. S. Thrasher* Editorial: "Dr. Robert (Bob) G. Syvret, electronic fluorocarbons, LLC and F2ChemTech, LLC – Recipient of the 2020 American chemical society award for creative work in fluorine chemistry" Editorial in Journal of Fluorine Chemistry 2021, 249, 109836. https://doi.org/10.1016/j.jfluchem.2021.109836
  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. https://doi.org/10.1002/chem.202100863
  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) https://doi.org/10.1021/acs.inorgchem.0c03679
  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) https://doi.org/10.1016/j.jfluchem.2020.109694

 

Paul Hayes

  1. S. L. Drescher*, C. P. Forfar, R. T. Boeré, P. G. Hayes, "X-Ray Crystal Structure of [L2Ag3]+[OTf]– •5C6D6: A monoanionic bisphosphinimine ligand supported trisilver complex" Acta Crystallographica, Section E: Struct. Rep. Online 2021, 77, 1025-1028. https://doi.org/10.1107/S2056989021009221
  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) https://doi.org/10.1039/d1nj01064f
  3. S.-J.  Hsiang, P. G. Hayes* “The Coordination Chemistry of Yttrium Complexes Supported by Multidentate Nitrogen Ancillary Ligands” In Comprehensive Coordination Chemistry III; Constable, E. C.; Parkin, G.; Que Jr., L., Eds., Vol. 4, Elsevier, 2021, 40-72. (INVITED SUBMISSION) https://dx.doi.org/10.1016/B978-0-12-409547-2.14922-4
  4. D. J. Webb, P. G. Hayes* “Coordination Chemistry of Phosphinimine Containing Ligands” Comprehensive Coordination Chemistry III; Constable, E. C.; Parkin, G.; Que Jr., L., Eds., Vol. 1, Elsevier, 2021, 131-157. (Invited Submission) https://dx.doi.org/10.1016/B978-0-08-102688-5.00090-8

 

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. https://doi.org/10.1016/j.jenvman.2020.111705
  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) https://doi.org/10.1021/acs.inorgchem.0c03679
  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. https://doi.org/10.1016/j.geodrs.2021.e00430

Stacey Wetmore

  1. J. Bykowski, D. Turnbull, N. Hahn, R. Boeré, 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. https://doi.org/10.1021/acs.inorgchem.1c02380
  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. https://doi.org/10.3389/fgene.2021.737433
  3. B.T.A. Boychuk, Y.E.R. Jeong and S. D. Wetmore*, "An Assessment of the Accuracy of DFT Predicted Li+–Nucleic Acid Binding Energies", Journal of Chemical Theory and Computation 2021, 17(8), 5392-5408 (2021). https://doi.org/10.1021/acs.jctc.1c00401
  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. https://doi.org/10.1002/chem.202100863
  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. https://doi.org/10.1021/acs.jcim.1c00202
  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. https://doi.org/10.1021/acs.chemrestox.1c00063
  7. K. A. Wilson, R. W. Kung, S. D’souza and S. D. Wetmore*, "Anatomy of noncovalent interactions between the nucleobases or ribose and p-containing amino acids in RNA–protein complexes", Nucleic Acid Research 2021, 49(4), 2213-2225. https://doi.org/10.1093/nar/gkab008
  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) https://doi.org/10.1021/acs.inorgchem.0c03679

René Boeré

  1. P. Junker, J.M. Villalba Franco, G. Schnakenburg, V. Nesterov*, R.T. Boeré*, Z.-W. Qu*, and R. Streubel*, “Formation and properties of phosphaquinomethane tungsten(0) complexes – isolation and conversion of primary radical coupling products”, Dalton Transactions 2020, 49, 13544-13548. https://doi.org/10.1039/D0DT03089A.
  2. L. El Foujji, K. El Bourakadi, M.E.M. Mekhzouma, E.M. Essassib, R.T. Boeré, A.E.K. Qaissa, R. Bouhfid*, “Synthesis, Crystal Structure, Spectroscopic, Thermal Properties and DFT Calculation of a Novel Ethyl 2-(2-(thiazol-4-yl)-1H-benzimidazol-1-yl)acetate”, Journal of Molecular Structure 2020, 1209, 127939:1-10. https://doi.org/10.1016/j.molstruc.2020.127939.
  3. I.O. Shotonwa*and R.T. Boeré, “Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives”, European Journal of Chemistry 2020, 11, 6-14. https://doi.org/10.5155/eurjchem.11.1.6-14.1946
  4. F. Marszaukowski*, K. Wohnrath and R.T. Boeré, “Bulky 2,6-disubstituted aryl siloxanes and a disilanamine” Acta Crystallographica, Section E: Crystallographic Communications 2020, E76. https://doi.org/10.1107/S2056989020001413.
  5. N.R. Naz, G. Schnakenburg, A. Mikeházi, Z. Kelemen, L. Nyulászi, R.T. Boeré and R. Streubel*, “Janus bis(NHC)s tuned by heteroatom-bridge oxidation states”, Chemical Communications 2020, 56, 2646-2649. https://doi.org/10.1039/C9CC08468A.
  6. K. El Bourakadi, M.E.M. Mekhzoum, R.T. Boeré, A. E.K. Qaiss, R. Bouhfid*, “Synthesis, characterization and DFT studies of 6-bis(2-(thiazol-4-yl)-benzimidazol-1-yl)hexane hemihydrate crystal : Experimental and theoretical investigation”, Journal of Molecular Structure 2020, 1202, 12753:1-11. https://doi.org/10.1016/j.molstruc.2019.127253

 

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. https://doi.org/10.1021/acs.inorgchem.0c02783
  2. D. Turnbull, M. Gerken* "Crystal structure of an ordered [WOF5]– salt: [1,10-phen-H][WOF5] (1,10-phen = 1,10 phenanthroline)" Acta Crystallographica Section E 2020, E76, 1345-1348. https://doi.org/10.1107/S2056989020009767
  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") https://doi.org/10.1021/acs.inorgchem.0c01105
  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. https://doi.org/10.1002/chem.202000424

 

Paul Hayes

  1. C. S. MacNeil, S.-J. Hsiang, P. G. Hayes* “Reversible Dehydrogenation of Primary Aryl Boranes” Chemical Communications 2020, 56, 12323-12326. (FRONT COVER OF JOURNAL) https://doi.org/10.1039/DOCC05503D
  2. T. K. K. Dickie, A. A. Aborawi, P. G. Hayes* “A Diphosphazide-supported Trialkyl Thorium(IV) Complex” Organometallics 2020, 39, 2047-2052. https://doi.org/10.1021/acs.organomet.0c00231
  3. T. K. K. Dickie, C. S. MacNeil, P. G. Hayes* “Consecutive N2 Loss from a Uranium Diphosphazide Complex” Dalton Transactions 2020, 49, 578-582. (BACK COVER OF JOURNAL) https://doi.org/10.1039/C9CT04517A
  4. C. S. MacNeil, A. O. Ogweno, S. O. Ojwach, P. G. Hayes* “Dichlorobis[2-pyridin-2-yl-kN)-1H-benzimidazole-kN3)nickel(II) monohydrate” IUCrData 2020, 5, x200040. https://doi.org/10.1107/S2414314620000401

 

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. https://doi.org/10.1021/acs.inorgchem.0c02783
  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. https://doi.org/10.1002/chem.202000424
  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. https://doi.org/10.1080/15435075.2020.1779072

 

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. https://doi.org/10.1021/acs.inorgchem.0c02783155.
  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), 2596–2606. https://doi.org/10.1021/acs.bioconjchem.0c00530
  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 – 23765. https://doi.org/10.1039/d0cp04921b
  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), 2573–2583. https://doi.org/10.1021/acs.chemrestox.0c00183
  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. https://doi.org/10.1016/j.dnarep.2020.102944
  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. https://doi.org/10.1002/chem.202000424
  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), 2392–2400. https://doi.org/10.1021/acs.jpcb.0c00783
  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) https://doi.org/10.1002/wcms.1471
  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. https://doi.org/10.1021/acs.chemrestox.9b00411

René Boeré

  1. F. Mostaghimi, E. Lork, I. Hong, T. L. Roemmele, R. T. Boeré*, S. Mebs* and J. Beckmann* “The reaction of phenoxatellurine with single-electron oxidizers revisited”, New Journal of Chemistry, 2019, 43, 12754-12766. https://doi.org/10.1039/c9nj02401h.
  2. F. Marszaukowski, I.D.L. Guimarães, J.P. da Silva, L.H. da Silveira Lacerda, S.R. de Lazaro, M.P. de Araujo, P. Castellen, T.T. Tominaga, R.T. Boeré 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. https://doi.org/10.1016/j.jorganchem.2018.11.036.

 

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. https://doi.org/10.1002/anie.201906600
  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. https://doi.org/10.1021/acs.inorgchem.9b00574
  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) https://doi.org/10.1016/j.jfluchem.2019.02.011

 

Paul Hayes

  1. C. S. MacNeil, K. E. Glynn, P. G. Hayes* “An H-Substituted Rhodium Silylene Complex” Chemstry – A European Journal 2019, 25, 8203-8207.  (JOURNAL FRONTISPIECE; Selected as a “Hot Paper”)  
  2. https://doi.org/10.1002/chem.201901882
  3. D. J. Webb, P. G. Hayes* “Zinc Complexes of Phosphinimine-NEN-Pincer Ligands (E = O,S)” Submitted to Inorganic Synthesis March 2019. (Invited Submission)

 

Paul Hazendonk

  1. F Mansouri Kouhestani*, J Byrne*, L Spencer, P Hazendonk, B Brown, D Johnson. ”A comprehensive assessment of solar and wind energy potential at the University of Lethbridge campus, a medium-sized western Canadian university” International Journal of Green Energy. 2019, 16(14), 1246-1263. https://doi.org/10.1080/15435075.2019.1671400
  2. Fariborz Mansouri Kouhestani*, James Byrne, Dan Johnson, Locke Spencer, Paul Hazendonk, Bryson Brown  ”Evaluating solar energy technical and economic potential on rooftops in an urban setting: the city of Lethbridge, Canada” International Journal of Energy and Environmental Engineering. 2019, 10(1), 13-32. https://doi.org/10.1007/s40095-018-0289-1

 

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. https://doi.org/10.1021/acs.chemrestox.9b00291
  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. https://doi.org/10.1002/anie.201906600
  3. P. Seelam Prabhakar, R. Manderville and S. D. Wetmore,* "Impact of the position of the chemically modified 5-furyl-2ʹ-deoxyuridine nucleoside on the thrombin DNA aptamer–protein 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) https://doi.org/10.3390/molecules24162908
  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), 6980–6989. https://doi.org/10.1021/acs.jpcb.9b06489
  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 “Leo Radom Festschrift”) https://doi.org/10.1021/acs.jpca.9b03899
  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. https://doi.org/10.1021/jacs.9b03986
  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). https://doi.org/10.1093/nar/gkz395
  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. https://doi.org/10.1021/acs.inorgchem.9b00574
  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) https://doi.org/10.1002/cphc.201900237
  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) https://doi.org/10.1016/j.jfluchem.2019.02.011137.
  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 η", ACS Catalysis 2019, 9(3), 2543-2551 (2019). https://doi.org/10.1021/acscatal.8b04889
  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). https://doi.org/10.1021/acs.joc.9b00066
  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. https://doi.org/10.1093/nar/gky1265

René Boeré

  1. R.T. Boeré, "Experimental and computational evidence for 'double pancake bonds'; the role of dispersion-corrected DFT methods in strongly dimerized 5-aryl-1λ2,3λ2-dithia-2,4,6-triazines", ACS Omega, 2018, 3, 18170-18180. https://doi.org/10.1021/acsomega.8b03211.
  2. I. Begum, G. Schnakenburg, Z. Kelemen, L. Nyulászi*, R.T. Boeré and R. Streubel* "Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation", Chemical Communications, 2018, 54, 13555-13558. https://doi.org/10.1039/c8cc08158a.
  3. I.O. Shotonwa and R.T. Boeré*, "1-Methyl-4-thiocarbamoylpyridin-1-ium iodide", IUCrData, 2018, 3, x181491. https://doi.org/10.1107/S2414314618014918.
  4. I.D.L. Guimarães, J.R. Garcia, K. Wohnrath*and R.T. Boeré*, “Chemical and electrochemical oxidations of tris(3,5-di-tert-butylphenyl)phosphine. High Z’ crystal structures and conformational effects associated with bulky meta substituents”, European Journal of Inorganic Chemistry, 2018, 3606-3614. (VIP ARTICLE and JOURNAL COVER) https://doi.org/10.1002/ejic.201800656.
  5. N.D.D. Hill and R.T. Boeré*, “Two tris(3,5-disubstituted-phenyl)-phosphines and their isostructural P(V) oxides”, Acta Crystallographica Section E, Crystallographic Communications, 2018, E74, 889-894. https://doi.org/10.1107/S2056989018007831.
  6. K.S. Unikela, T.L. Roemmele, V. Houska, K. McGrath, D. M. Tobin, L.N. Dawe, R.T. Boeré* 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. https://doi.org/10.1002/anie.201713067.
  7. X. Yu, T.L. Roemmele and R.T. Boeré*, "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, 968–978. (INVITED PAPER) https://doi.org/10.1002/celc.201701191.
  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. Boeré*, 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. https://doi.org/10.1002/anie.201711031.
  9. L. Mokhtabad Amrei and R.T. Boeré*,“Hydrogen-bonded networks in oxygen-coordinated monoamide complexes of zinc(II)”, Canadian Journal of Chemistry, 2018, 96, 621-628. (INVITED PAPER) https://doi.org/10.1139/cjc-2017-0522.

 

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) https://doi.org/10.1016/j.jfluchem.2018.08.007

 

Paul Hayes

  1. C. S. MacNeil, K. E. Glynn, P. G. Hayes*.“Facile Activation and Deoxygenative Metathesis of CO” Organometallics 2018, 37, 3248-3252. https://doi.org/10.1021/acs.organomet.8b00652

 

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. https://doi.org/10.1080/1065657X.2017.1342106
  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 University" Concepts in Magnetic Resonance 2018, 45A: e21418. https://doi.org/10.1002/cmr.a.21418

 

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. http://dx.doi.org/10.1007/s10822-018-0178-y
  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), 11858–11868. http://dx.doi.org/10.1093/nar/gky1071
  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) https://doi.org/10.1016/j.jfluchem.2018.08.007
  4. P. Kathuria, P. Sharma, R. Manderville and S. D. Wetmore,* "Molecular dynamics simulations of mismatched DNA duplexes associated with the major C8-linked 2ʹ-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. http://dx.doi.org/10.1021/acs.chemrestox.8b00064
  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. http://dx.doi.org/10.1002/hlca.201800066
  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. http://dx.doi.org/10.1021/acs.jcim.8b00238
  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). http://dx.doi.org/10.1093/nar/gky409
  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. http://dx.doi.org/10.1039/c8ob00704g
  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. http://dx.doi.org/10.1021/acs.biochem.7b01292
  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). http://dx.doi.org/10.1021/acs.jpca.7b10485
  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), 37–47. http://dx.doi.org/10.1021/acs.chemrestox.7b00266

René Boeré

  1. R.T. Boeré*and N.D.D. Hill, "High Z’ 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 – 3707. https://doi.org/10.1039/C7CE00863E.
  2. S. Machado, G.N. Calaça, J.P. da Silva, M.P. de Araujo, R.T. Boeré, C. A. Pessôa 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. https://doi.org/10.1149/2.0191707jes.
  3. T. Gietz and R.T. Boeré* "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  https://doi.org/10.3390/inorganics5020030.
  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. Boeré, P.W. Roesky, A.V. Zibarev and S.N. Konchenko* “The first lanthanide complexes with a redox-active sulphur diimide ligand: synthesis and characterization of [LnCp*2(RN=)2S], Ln = Sm, Eu, Yb; R = SiMe3”, Chemistry – A European Journal, 2017, 23, 1278–1290.(FRONTISPIECE ARTICLE: HOT PAPER) https://doi.org/10.1002/chem.201604340.

 

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). https://doi.org/10.1002/anie.201710263
  2. D. Turnbull, S. D. Wetmore, M. Gerken* "Syntheses and Characterization of W(NC6F5)F5− and W2(NC6F5)2F9− Salts and Computational Studies of the W(NR)F5− (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9− Anions" Inorganic Chemistry 2017, 56, 12581-12593. https://doi.org/10.1021/acs.inorgchem.7b02048
  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. https://doi.org/10.1016/j.fuel.2016.12.082

 

Paul Hayes

  1. C. S. MacNeil, T. K. K. Dickie, P. G. Hayes*. “Actinide Pincer Chemistry: A New Frontier” 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. Hänninen, J. M. Rautianinen, H. M. Tuononen, P. G. Hayes “Insights into the Decomposition Pathway of a Lutetium Alkylamido Complex via Intramolecular C–H Bond Activation” Journal of Organometallic Chemistry 2017, 845, 135-143. (Invited Submission in Special Issue Dedicated to Gerard van Koten) https://doi.org/10.1016/j.jorganchem.2017.04.008

 

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. https://doi.org/10.2134/jeq2017.02.0074
  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. https://doi.org/10.3389/fmolb.2017.00030
  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. https://doi.org/10.1016/j.fuel.2016.12.082
  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. https://doi.org/10.1016/j.polymer.2017.08.067

 

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. http://dx.doi.org/10.1021/acs.jpcb.7b09646
  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). https://doi.org/10.1002/anie.201710263
  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. http://dx.doi.org/10.1039/c7cp06123d
  4. D. Turnbull, S. D. Wetmore, M. Gerken* "Syntheses and Characterization of W(NC6F5)F5− and W2(NC6F5)2F9− Salts and Computational Studies of the W(NR)F5− (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9− Anions" Inorganic Chemistry 2017, 56, 12581-12593. https://doi.org/10.1021/acs.inorgchem.7b02048
  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") http://dx.doi.org/10.1021/acs.chemrestox.7b00179
  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. http://dx.doi.org/10.1021/acs.chemrestox.7b00103
  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) http://dx.doi.org/10.1039/c7cp02576a
  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. http://dx.doi.org/10.1016/j.bpc.2017.06.001
  9. K. A. Wilson and S. D. Wetmore,* "Combining Crystallographic and Quantum Chemical Data to Understand DNA-protein π-Interactions in Nature", Structural Chemistry 2017, 28(5), 1487–1500 (Invited Article in honor of Lou Massa). http://dx.doi.org/10.1007/s11224-017-0954-7
  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). http://dx.doi.org/10.1021/acs.jafc.6b03897
  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. http://dx.doi.org/10.1021/acs.biochem.6b01247
  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). http://dx.doi.org/10.1021/acs.chemrestox.6b00323

René Boeré

 

1. O.N.J.M. Marasco, S.K. Wolny, J.P. Knott, D. Stuart, T.L. Roemmele and R.T. Boeré* “Crystal structure of bis(triphenylphosphonium) hexabromodigallate(II) in the correct space group: conformational complexity in a heteroethane”, Cogent Chemistry, 2016, 2, 1273065. https://doi.org/10.1080/23312009.2016.1273065. (INVITED SUBMISSION).

2. C.S. MacNeil, K.R.D. Johnson, P.G. Hayes and R.T. Boeré* “Crystal structure of a dimeric -diketiminate magnesium complex”, Acta Crystallographica Section E, Crystallographic Communications, 2016, E72, 1754-1756. https://doi.org/10.1107/S2056989016017394.

3. R.T. Boeré,* “Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound”, CrystEngComm, 2016, 18, 2748-2756. https://doi.org/10.1039/C6CE00351F. Gold open access.

4. S.A. Okeh and R.T. Boeré,* “Coordination polymers from main group ring compounds”, Phosphorus, Sulfur and Silicon, 2016, 191 (4), 648-650. https://doi.org/10.1080/10426507.2015.1128927. Invited paper.

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

6. J. D. Masuda, and R.T. Boeré,* "Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(3,2)-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals”, Dalton Transactions, 2016, 45, 2102-2115. https://doi.org/10.1039/C5DT03393D. (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. https://doi.org/10.1021/acs.inorgchem.6b02373

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∙Nitrogen Base Adducts by HF" Inorganic Chemistry 2016, 55, 7126-7134. https://doi.org/10.1021/acs.inorgchem.6b01112

 

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* “Triamisoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity and rac-Lactide Polymerization” RSC Advances 2016, 6, 70581-70585. 

2. C. S. MacNeil, K. R. D. Johnson, P.G.Hayes, R. T. Boeré* “Crystal structure of -diketiminate-stabilized magnesium(II) complexes: structural study of iodo-bridged dimers” 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.* “Triamisoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity and rac-Lactide Polymerization” RSC Adv. 2016, ASAP. 

4.  K R. D. Johnson, P. G. Hayes,* “Ligand Influence on Intramolecular Cyclometalation in Bis(phosphinimine) Rare Earth Alkyl Complexes” Canadian Journal of Chemistry 2016, 94, 330-341. (INVITED PAPER to “University of Calgary 50th Anniversary” Special Issue) 

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

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

7.  Hänninen, M.M.; Zamora, M.T.; Hayes, P.G.* “Rare Earth Pincer Complexes: Synthesis, Reaction Chemistry and Catalysis” 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* “Solvent and water mediated structural variations in deoxynivalenol and their potential implications on the disruption of ribosomal function” Frontiers in Microbiology 2016, 7, 1239.

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

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

 

Adriana Predoi-Cross

1. N. Jacquinet-Husson, R. Armante, N.A. Scott, A. Chédin, L. Crépeau, 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, Ø. Hodnebrog, S.-M Hu, D. Jacquemart, A. Jolly, E. Jiménez, N.N. Lavrentieva, A.-W. Liu, L. Lodi, O.M. Lyulin, S.T. Massie, S. Mikhailenko, H.S.P. Müller, 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. https://doi.org/10.1016/j.jms.2016.06.007.

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) http://dx.doi.org.ezproxy.alu.talonline.ca/10.1016/j.jms.2016.07.006.

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 http://dx.doi.org.ezproxy.alu.talonline.ca/10.1016/j.jqsrt.2016.08.007.

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 2–0 band of 12C16O", Journal of Molecular Spectroscopy 2016, 326 60-72. https://doi.org/10.1016/j.jms.2016.02.014.

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. https://doi.org/10.1016/j.jqsrt.2016.03.024.

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 ν3 and ν5 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′–Hydroxy Group and Acid–Base 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 π–π Interactions and Comparison to Analogous DNA–protein π–π 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 π–π and Sugar–π Contacts in DNA–protein Interactions", J. Biomol. Struct. Dyn., 2016, 34(1), 184-200.

René Boeré
 

  1. M.R. Hassan and R.T. Boeré* "1,5-(4,4'-Dipyridyl)naphthalene" Molbank, 2015, M845 (pages 1 – 5). https://doi.org/10.3390/M845. Invited paper.
  2. C-Y. Ang, S-L. Kuan, G-K. Tan, L-Y. Goh, T. L. Roemmele, X. Yu and R. T. Boeré* "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—S bond orders." Canadian Journal of Chemistry, 2015, 93, 181-195. https://doi.org/10.1139/cjc-2014-0257. 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 – A European Journal 2015, 21, 6247-6256. https://doi.org/10.1002/chem.201406359
  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 https://doi.org/10.1021/ef5020499
  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) https://doi.org/10.1016/j.jfluchem.2014.07.001


Paul Hayes
 

  1. M. T. Zamora, S. Zahir, K. R. D. Johnson, C. J. Barnson, C. A. Wheaton, M. M. Hänninen, 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) http://dx.doi.org/10.1071/CH14577



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 https://doi.org/10.1021/ef5020499
  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 – A European Journal 2015, 21, 6247-6256. https://doi.org/10.1002/chem.201406359
  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. https://doi.org/10.1016/j.molstruc.2015.02.016
  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. https://doi.org/10.1021/la5047518
  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. https://doi.org/10.1021/jp507470v
  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 für Anorganische und. Allgemeine. Chemie 2015, 641, 1176–1181.

  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. https://doi.org/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 ν6 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, 1–9.

 

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. https://doi.org/10.1021/bi501484m
  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. https://doi.org/10.1021/tx500527p
  3. K. A. Wilson, R. A. Wells, M. N. Abendong, C. B. Anderson, R. W. Kung and S. D. Wetmore,* "Landscape of ?–? and Sugar–? Contacts in DNA–protein Interactions", Journal of Biomolecular Structure and Dynamics 2015. https://doi.org/10.1080/07391102.2015.1013157
  4. H. B. Hussain, K. A. Wilson and S. D. Wetmore,* "Serine and Cysteine ?–Interactions in Nature: A Comparison of the Frequency, Structure and Stability of Contacts Involving Oxygen and Sulphur", Australian Journal of Chemistry 2015, 68(3), 385–395. (Invited Article for Special Issue in Memory of R. Langler) http://dx.doi.org/10.1071/CH14598
  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. https://doi.org/10.1093/nar/gku1093
  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. https://doi.org/10.1093/nar/gku821.
  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), 81–87. https://doi.org/10.1002/jms.3475.

René Boeré
 

  1. P.J.W. Elder, T.L. Roemmele, M. Taghavikish, T. A. Engesser, H. Scherer, I. Krossing,* R.T. Boeré* and T. Chivers* "Structural Changes Upon Oxidation of (PtBu2)2 and 1,4-(CH2)2(PtBu)4: Transannular P–P 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. Boeré* "4-Thiocarbamoylpyridin-1-ium iodide" Acta Crystallographica Section E, Structure Reports Online, 2014, E70, o340-o341. DOI: 10.1107/S1600536814003511.
  3. R.T. Boeré,* 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. Boeré, J. Derendorf, S. Kacprzak, C. Jenne,* M. Keßler, R. Riebau, S. Riedel, T.L. Roemmele, M. Rühle, 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 – A European Journal, 2014, 20, 4447-4459. DOI: 10.1002/chem.201304405.
  5. R.T. Boeré* "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) http://dx.doi.org/10.1016/j.ica.2014.05.045
  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–Protein ?–Interactions 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