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Publications from the University of Lethbridge
(164) P. A. R. Chukka, S. D. Wetmore* and N. Thakor*,"Canonical and Non-canonical Roles of Eukaryotic Translation Initiation Factor 5B (eIF5B)", Front. Genet., DOI: 10.3389/fgene.2021.737433 (2021)
(163) 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", J. Chem. Theory. Comput., 17(8), 5392-5408 (2021).
(162) D.Turnbull, S. D. Wetmore and M. Gerken*, "Stabilisation of [WVF4]+ by N- and P-donor Ligands: Second-Order Jahn-Teller Effects in Octacoordinate d1 complexes", Chem. Eur. J, 27(44), 11335-11343 (2021).
(161) 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", J. Chem. Inf. Model., 61(5), 2313-2327 (2021)
(160) 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", Chem. Res. Toxicol., 34(6), 1619-1629 (2021).
(159) 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", NAR, 49(4), 2213-2225 (2021).
(158) D. Turnbull, P. Chaudhary, P. Hazendonk, S. D. Wetmore and 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)", Inorg. Chem., 60(6), 3893-3901 (2021).
(157) P. S. Prabhakar, N. Takyi and S. D. Wetmore*, "Post-transcriptional modifications at the 37th position in the anticodon stem loop of tRNA: Structural insights from MD simulations", RNA, 27(2), 202-220 (2020).
(156) D. Turnbull, P. Chaudhary, D. L. 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)", Inorg. Chem. 59(23), 17544–17554 (2020).
(155) M. D. Gray, P.S. Deore, A.J. Chung, A.J. Van Riesen, R.A. Manderville, P.S. 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 Chem., 31(11), 2596-2606 (2020).
(154) 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 ", Phys. Chem. Chem. Phys., 23754-23765 (2020).
(153) P. Kathuria, P. Singh, 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", Chem. Res. Toxicol., 33(10), 2573-2583 (2020).
(152) 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, 96, 102944 (2020).
(151) D. Turnbull, P. Hazendonk, S. D. Wetmore, and Michael Gerken*, "Stabilisation of [WF5]+ and WF5 by Pyridine: Facile Access to [WF5(NC5H5)3]+ and WF5(NC5H5)2", Chem. Eur. J, 26(30), 6879-6886 (2020).
(150) 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 ", J. Phys. Chem. B, 124(12), 2392-2400 (2020).
(149) 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 Comput. Mol. Sci., 10(5), e1471 (2020). (Invited Focused Article)
(148) Manning, T. W., 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", Chem. Res. Toxicol., 33(2), 584-593 (2020).
(147) P. Bhutani, D. J. Nikkel, K. A. Wilson and S. D. Wetmore,* "Computational Insight into the Differential Mutagenic Patterns of O-methylthymine Lesions", Chem. Res. Toxicol., 32(10), 2107-2117 (2019).
(146) D. Turnbull, S. D. Wetmore and Michael Gerken* "Stabilization of [WF5]+ by Bidentate N-Donor Ligands", Angew. Chem., 58(37), 13035-13038 (2019).
(145) P. Seelam Prabhakar, R. Manderville and S. D. Wetmore,* "Impact of the position of the chemically modified 5-furyl-2'-deoxyuridine nucleoside on the thrombin DNA aptamer–protein complex: Structural insights into aptamer response from MD simulations", Molecules, 24(16), 2908 (2019). (Invited Article for Special Issue titled Discovery, Design, Synthesis, and Application of Nucleoside/Nucleotides)
(144) 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", J. Phys. Chem. B, 123(32), 6980–6989 (2019).
(143) 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", J. Phys. Chem. A, 123(29), 6229-6240 (2019). (Invited Article for the Journal of Physical Chemistry virtual special issue “Leo Radom Festschrift”)
(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", J. Am. Chem. Soc., 141(21), 8646-8656 (2019).
(141) 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 Res., 47(11), 5522-5529 (2019).
(140) D. Turnbull, S. D. Wetmore and Michael 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)", Inorg. Chem., 58(9), 6363-6375 (2019).
(139) 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, 20(11), 1425-1436 (2019). (Invited Journal Cover)
(138) D. Stuart, S. D. Wetmore and Michael Gerken* "Syntheses, Characterization, and Computational Study of AsF5 Adducts with Ketones", J. Fluor. Chem., 221, 9-16 (2019).
(137) 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 ?", ACS Catal., 9(3), 2543-2551 (2019).
(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", J. Org. Chem., 84(4), 2261-2268 (2019).
(135) 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 Res., 47(4), 1871-1879 (2019).
(134) S.A.P. Lenz and S. D. Wetmore,* "Structural Explanation for the Tunable Substrate Specificity of Nucleoside Hydrolases: Insights from Molecular Dynamics Simulations", J. Comput. Aided Mol. Des., 32(12), 1375-1388 (2018).
(133) 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 Res., 46(22), 11858-11868 (2018).
(132) D. Turnbull, N. Kostiuk, S. D. Wetmore and M. Gerken* "Syntheses, Characterisation, and Computational Studies of Tungsten Hexafluoride Adducts with Pyridine and Its Derivatives", J. Fluor. Chem., 215, 1-9 (2018).
(131) P. Kathuria, P. Sharma, R. Manderville and S. D. Wetmore,* "Molecular dynamics simulations of mismatched DNA duplexes associated with the major C8-linked 2'-deoxyguanosine adduct of the food mutagen ochratoxin A: Influence of opposing base, adduct ionization state and sequence on the structure of damaged DNA", Chem. Res. Toxicol., 31(8), 712-720 (2018).
(130) 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", Helv. Chim. Acta, 101, e1800066 (2018).
(129) 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", J. Chem. Info. Model., 58, 1415-1425 (2018).
(128) 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 Res., 46(12), 6356-6370 (2018).
(127) 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", Org. Biomol. Chem., 16, 3831-3840 (2018).
(126) 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, 57(7), 1144-1154 (2018).
(125) 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", J. Phys. Chem. A, 122(1), 410-419 (2018). (Invited Article for a special virtual issue in honor of Dr. Manuel Yanez and Dr. Otilia Mo).
(124) 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", Chem. Res. Toxicol., 31(1), 37–47 (2018).
(123) S. 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", J. Phys. Chem. B, 121(49), 11096-11108 (2017).
(122) D. Stuart, S. D. Wetmore, M. Gerken,* "Solid-State Structure of Protonated Ketones and Aldehydes", Angew. Chem. 129, 16598-16602 (2017) Angew. Chem. Int. Ed. 56, 16093-16413 (2017). (HIGHLIGHTED in Nature Nov 10, 2017; in Nachrichten aus der Chemie, 2018, 66(2), 106.)
(121) 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", Phys. Chem. Chem. Phys. 19(45), 30762-30771 (2017).
(120) D. Turnbull, S. D. Wetmore and 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", Inorg. Chem., 56 (20), 12581–12593 (2017).
(119) 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", Chem. Res. Toxicol., 30(11), 2013-2022 (2017). (Invited Article for a special issue entitled "DNA polymerases: From molecular mechanisms to human disease")
(118) 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", Chem. Res. Toxicol. 30(8), 1582-1591 (2017).
(117) 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", Phys. Chem. Chem. Phys., 19(25), 16365-16374 (2017). (Themed Collection 2017 PCCP HOT Articles)
(116) 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", Biophys. Chem. 228, 23-37 (2017).
(115) K. A. Wilson and S. D. Wetmore,* "Combining Crystallographic and Quantum Chemical Data to Understand DNA-protein p-Interactions in Nature", Struct. Chem. 28(5), 1487–1500 (2017) (Invited Article in honor of Lou Massa)
(114) R. A. Manderville* and S. D. Wetmore,* "Mutagenicity of Ochratoxin A: Role for a Carbon-Linked C8-Deoxyguanosine Adduct", J. Agric. Food Chem. 65(33), 7097-7105 (2017) (Invited Review for Special Issue titled Public Health Perspectives of Mycotoxins in Food)
(113) 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, 56(13), 1841-1853 (2017).
(112) 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).
(111) 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", J. Phys. Chem. B 120(50), 12795-12806 (2016).
(110) 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, 21(7), 822 (2016) (Invited Article for Special Issue titled Computational Design: A New Approach to Drug and Molecular Discovery).
(109) 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., 14(19), 4409-4419 (2016) (Featured on Cover).
(108) R. A. Manderville* and S. D. Wetmore,* "C-Linked 8-Aryl Guanine Nucleobase Adducts: Biological Outcomes and Utility as Fluorescent Probes", Chem. Sci., 7(6), 3482-3493 (2016) (Invited Perspective).
(107) K. A. Wilson, D. Holland and S. D. Wetmore,* "Topology of RNA-Protein Nucleobase-Amino Acid p–p Interactions and Comparison to Analogous DNA–protein p–p contacts", RNA, 22(5), 696-708 (2016).
(106) C. D. M. Churchill, L. A. Eriksson and S. D. Wetmore,* "DNA Distortion Caused by Uracil-Containing Intrastrand Cross-Links", J. Phys. Chem. B., 120(7), 1195-1204 (2016).
(105) 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, 55(5), 798-808 (2016). 
(104) 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., 4, 2915-2924 (2016) (Themed Issue titled Shape Responsive Fluorophores).;
 
(103) 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., DOI: 10.1039/C5TX00302D (2016).
(102) S. Sowlati Hashjin, and S. D. Wetmore,* "Quantum Mechanical Study of the β- and δ-Lyase Reactions during the Base Excision Repair Process: Application to FPG", Phys. Chem. Chem. Phys., 17(38), 24696-24706 (2015).
(101) M. Sproviero, A. M. R. Verwey, A. A. Witham, R. A. Manderville,* P. Sharma, S. D. Wetmore,* "Enhancing Bulge Stabilization Through Linear Extension of C8-Aryl-Guanine Adducts to Promote Polymerase Blockage or Strand Realignment to Produce a C:C Mismatch", Chem. Res. Toxicol., 28(8), 1647-1658 (2015).
(100) P. Kathuria, P. Sharma and S. D. Wetmore,* "Adenine versus Guanine DNA Adducts of Aristolochic Acids: Role of the Carcinogen–Purine Linkage in the Differential Global Genomic Repair Propensity", Nucleic Acids Res., 43(15), 7388-7397 (2015).
(99) J. L. Kellie, K. A. Wilson and S. D. Wetmore,* "An ONIOM and MD Investigation of Possible Monofunctional Activity of Human 8-Oxoguanine–DNA Glycosylase (hOgg1)", J. Phys. Chem. B, 119(25), 8013-8023 (2015).
(98) A. A. Witham, A. M. R. Verwey, M. Sproviero, R. A. Manderville*, P. Sharma and S. D. Wetmore,* "Chlorine Functionalization of a Phenolic C8-Guanine Adduct Increases Conformational Rigidity, Enhances Misincorporation and Blocks Extension by a Y-Family DNA Polymerase", Chem. Res. Toxicol., 28(6), 1346-1356 (2015).

(97)  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, 54(15), 2414–2428 (2015).
(96) 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", Chem. Res. Toxicol., 28(4), 782–796 (2015).
(95) 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., (DOI 10.1080/07391102.2015.1013157) (2015).
(94) H. B. Hussain, K. A. Wilson and S. D. Wetmore,* "Serine and Cysteine π–Interactions in Nature: A Comparison of the Frequency, Structure and Stability of Contacts Involving Oxygen and Sulphur", Aust. J. Chem., 68(3), 385–395 (2015). (Invited Article for Special Issue in Memory of R. Langler)
(93) 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 Res., 42(21), 13405-13421 (2015).
(92) 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", J. Mass Spectrom., 50(1), 81–87 (2015).
(91) 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 Res., 42(18), 11831-11845 (2014).

(90)  S. Sowlati-Hashjin and S. D. Wetmore,* "Computational Investigation of Glycosylase and β-lyase Activity Facilitated by Proline: Applications to FPG and Comparisons to hOgg1", J. Phys. Chem. B, 118(50), 14566-14577 (2014).
(89) K. A. Wilson and S. D. Wetmore,* "The Complex Conformational Heterogeneity of the Highly Flexibility O6-Benzyl-Guanine DNA Adduct", Chem. Res. Toxicol., 27(7), 1310-1325 (2014).
(88) K. A. Wilson, J. L. Kellie and S. D. Wetmore,* "DNA–Protein π–Interactions in Nature: Abundance, Structure, Composition and Strength of Contacts between Aromatic Amino Acids and DNA Nucleobases or Deoxyribose Sugar", Nucleic Acids Res., 42(10), 6726-6741 (2014).
(87) 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", Chem. Sci., 5, 788-796 (2014).
(86) J. L. Kellie, K. A. Wilson and S. D. Wetmore,* "Standard Role for a Conserved Aspartate or More Direct Involvement in Deglycosylation? An ONIOM and MD Investigation of Adenine–DNA Glycosylase", Biochemistry, 52(48), 8753–8765 (2013).

(85) L. Navarro-Whyte, J. L. Kellie, S. A. P. Lenz and S. D. Wetmore,* "Hydrolysis of the Damaged Deoxythymidine Glycol Nucleoside and Comparison to Canonical DNA", Phys. Chem. Chem. Phys., 15(44), 19343 - 19352 (2013).

(84) R. A. Wells, J. L. Kellie, and S. D. Wetmore,* "Surprising Strength of Charged DNA–Protein π–π Interactions: A Preliminary Study of Cytosine", J. Phys. Chem. B, 117(36), 10462–10474 (2013).

(83) M. S. Kuska, A. A. Witham, M. Sproviero, R. A. Manderville,* M. Majdi Yazdi, P. Sharma, and S. D. Wetmore,* "Structural Influence of C8-Phenoxy-Guanine In the NarI Recognition DNA Sequence", Chem. Res. Toxicol., 26(9), 1397-1408 (2013).

(82) P. Sharma, L. A. Lait and S. D. Wetmore* "Exploring the limits of nucleobase expansion: Computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines ", Phys. Chem. Chem. Phys., 15(37), 15538-15549 (2013).

(81) M. S. Kuska, M. Majdi Yazdi, A. A. Witham, H. A. Dahlmann, S. J. Sturla,* S. D. Wetmore,* and R. A. Manderville* "Influence of Chlorine Substitution on the Hydrolytic Stability of Biaryl Ether Nucleoside Adducts Produced by Phenolic Toxins", J. Org. Chem., 78(14), 7176−7185 (2013).

(80) J. L. Kellie and S. D. Wetmore “Selecting DFT Methods for Use in ONIOM Optimizations of Enzyme Active Sites” Can. J. Chem., 91(7), 559-572 (2013) (Invited Article for Special Issue in Honor of D. Salahub).

(79) P. Sharma, R. A. Manderville, and Stacey D. Wetmore “Modeling the Conformational Preference of the Carbon-Bonded Covalent Adduct Formed upon Exposure of 2'-Deoxyguanosine to Ochratoxin A” Chem. Res. Toxicol., 26 (5), 803-816 (2013).

(78) Emmanuel B. Naziga , Frank Schweizer, and Stacey D. Wetmore “Solvent Interactions Stabilize the Polyproline II Conformation of Glycosylated Oligoprolines” J. Phys. Chem. B, 117 (9), 2671–2681 (2013).

(77) P. Sharma, L. A. Lait and S. D. Wetmore “yDNA versus yyDNA pyrimidines: Computational analysis of the effects of unidirectional ring expansion on the preferred sugar–base orientation, hydrogen-bonding interactions and stacking abilities” Phys. Chem. Chem. Phys., 15(7), 2435-2448 (2013).

(76) R. B. Teklebrhan, N. W. Owens, J. D. Xidos, G. Schreckenbach, S. D. Wetmore, and F. Schweizer “Conformational Preference of Fused Carbohydrate-Templated Proline Analogues – A Computational Study” J. Phys. Chem. B, 117(1), 199-205 (2013).

(75) K. M. Rankin (née Schlitt), M. Sproviero, K. Rankin, P. Sharma, S. D. Wetmore and R. A. Manderville “C8-Heteroaryl-2'-Deoxyguanosine Adducts as Conformational Fluorescent Probes in the NarI Recognition Sequence” J. Org. Chem., 77(23), 10498-10508 (2012).

(74) S. A. P. Lenz, J. L. Kellie and S. D. Wetmore “Glycosidic Bond Cleavage in Deoxynucleotides: The Effects of Solvent and the DNA Phosphate Backbone in the Computational Model” J. Phys. Chem. B, 116(49), 14275-14284 (2012).

(73) J. L. Kellie and S. D. Wetmore “C8-linked Bulky Guanosine DNA Adducts: Experimental and Computational Insights Into Adduct Conformational Preferences and Resulting Mutagenicity” Fut. Med. Chem., 4(15), 1981-2007 (2012). (Invited review in a special focus issue on computational chemistry)

(72) J. L. Kellie and S. D. Wetmore “Mechanistic and Conformational Flexibility of the Covalent Linkage Formed during beta-lyase Activity on an AP-site: Application to hOgg1” J. Phys. Chem. B, 116(35), 10786-10797 (2012).

(71) R. A. Manderville, A. Omumi, K. M. Schlitt, K. A. Wlison, A. L. Millen and S. D. Wetmore “A Fluorescent C-Linked C8-Aryl-Guanine Probe for Distinguishing Syn from Anti Structures in Duplex DNA” Chem. Res. Toxicol., 25(6), 1271-1282 (2012).

(70) J. L. Kellie, L. Mavarro-Whyte, M. T. Carvey and S. D. Wetmore “The Combined Effects of pi-pi Stacking and Hydrogen Bonding on the N1 Acidity of Uracil and Hydrolysis of 2'-deoxyuridine” J. Phys. Chem. B, 116(8), 2622-2632 (2012).

(69) L. R. Rutledge and S. D. Wetmore “A Computational Proposal for the Experimentally Observed Discriminatory Behavior of Hypoxanthine, A Weak Universal Nucleobase” Phys. Chem. Chem. Phys., 14(8), 2743-2753 (2012).

(68) E. Naziga, F. Schweizer and S. D. Wetmore “Conformational Study of the Hydroxyproline-O-Glycosidic Linkage: Sugar-Peptide Orientation and Prolyl Amide Isomerization in (alpha/beta)-Galactosylated 4R(S)-Hydroxyproline” J. Phys. Chem. B, 116(2), 860-871 (2012).

(67) C. D. M. Churchill, L. A. Eriksson and S. D. Wetmore “Formation and Structure of a Guanine-uracil DNA Intrastrand Cross-link” Chem. Res. Toxicol. 24(12), 2189-2199 (2011).

(66) A. L. Millen, B. L. Kamenz, F. M. V. Leavens, R. A. Manderville and S. D. Wetmore “Conformational Flexibility of C8-Phenoxyl-guanine Adducts in Deoxydinucleoside Monophosphates” J. Phys. Chem. B, 115(44), 12993-13002 (2011).

(65) A. Omumi, A. L. Millen, S. D. Wetmore and R. A. Manderville “Fluorescent Properties and Conformational Preferences of Carcinogenic C-Linked Phenolic-DNA Adducts” Chem. Res. Toxicol., 24(10), 1694-1709 (2011).

(64) L. R. Rutledge, L. Navarro-Whyte, T. Peterson and S. D. Wetmore “Effects of Extending the Computational Model on DNA-Protein T-shaped Interactions: The Case of Adenine-Histidine Dimers” J. Phys. Chem. A, 115(45), 12646-12658 (2011). (Invited Article for Special Issue in Honor of R. F. W. Bader).

(63) L. R. Rutledge and S. D. Wetmore “Modeling the Chemical Step Utilized by Human Alkyladenine DNA Glycosylase: A Concerted Mechanism Aids in Selectively Excising Damaged Purines” J. Am. Chem. Soc., 133(40), 16258-16269 (2011).

(62) F. M. V. Leavens, C. D. M. Churchill, S. Wang and S. D. Wetmore “Evaluating How Discrete Water Molecules Affect Protein-DNA pi-pi and pi(+)-pi Stacking and T-shaped Interactions: The Case of Histidine-Adenine Dimers” J. Phys. Chem. B, 115(37), 10990-11003 (2011).

(61) C. D. M. Churchill and S. D. Wetmore “Developing a computational model that accurately reproduces the structural features of a dinucleoside monophosphate unit within B-DNA” Phys. Chem. Chem. Phys., 13(36), 16373-16383 (2011).
(60) J. L. Przybylski and S. D. Wetmore “A QM/QM Investigation of the hUNG2 Reaction Surface: The Untold Tale of a Catalytic Residue” Biochemistry, 50, 4218-4227 (2011).

(59) K. M. Schlitt, A. L. Millen, S. D. Wetmore and R. A. Manderville “An Indole-Linked C8-Deoxyguanosine Nucleoside as a Fluorescent Reporter of Watson-Crick Versus Hoogsteen Base Pairing” Org. Biomol. Chem., 9(5), 1565-1571 (2011).

(58) C. D. M. Churchill, L. R. Rutledge and S. D. Wetmore “Effects of the biological backbone on stacking interactions at DNA-protein interfaces: The interplay between the backbone-pi and pi-pi components” Phys. Chem. Chem. Phys 12, 14515-14526 (2010).

(57) A. L. Millen, C. D. M. Churchill, R. A. Manderville and S. D. Wetmore “Effect of Watson-Crick and Hoogsteen Base Pairing on the Conformational Stability of C8-Phenoxyl-2'-deoxyguanosine Adducts” J. Phys. Chem. B, 114(40) 12995-13004 (2010).

(56) R. B. Teklebrhan, K. Zhang, G. Schreckenbach, F. Schweizer and S. D. Wetmore “Intramolecular Hydrogen Bond-Controlled Prolyl Amide Isomerization in Glucosyl 3(S)-Hydroxy-5-hydroxymethylproline Hybrids: A Computational Study” J. Phys. Chem. B, 114(35), 11594-11602 (2010).

(55) L. R. Rutledge and S. D. Wetmore “The Assessment of Density Functionals for DNA-Protein Stacked and T-shaped Complexes” Can. J. Chem., 88, 815-830 (2010) (Invited Article for Special Issue in Honor of R. Boyd and Featured on Cover of Special Issue).

(54) A. L. Millen, R. A. Manderville and S. D. Wetmore “Conformational Flexibility of C8-Phenoxyl-2'-deoxyguanosine Nucleotide Adducts” J. Phys. Chem. B, 114(12), 4373-4382 (2010).

(53) L. R. Rutledge, C. D. M. Churchill and S. D. Wetmore “A Preliminary Investigation of the Additivity of pi-pi or pi(+)-pi Stacking and T-shaped Interactions Between Natural or Damaged Nucleobases and Histidine ”J. Phys. Chem. B, 114(9), 3355-3367 (2010).

(52) E. J. Shim, J. L. Przybylski and S. D. Wetmore “Effects of Nucleophile, Oxidative Damage and Nucleobase Orientation on the Glycosidic Bond Cleavage in Deoxyguanosine” J. Phys. Chem. B, 114(6), 2319-2326 (2010).
(51) J. L. Przybylski and S. D. Wetmore “Modeling the Dissociative Hydrolysis of the Natural DNA Nucleosides” J. Phys. Chem. B, 114(2), 1104-1113 (2010).

(50) C. D. M. Churchill, and S. D. Wetmore“Noncovalent Interactions Involving Histidine: The Effect of Charge on pi-pi Stacking and T-shaped Interactions with the DNA Nucleobases” J. Phys. Chem. B, 113(49), 16046-16058 (2009).

(49) C. D. M. Churchill, L. Navarro-Whyte, L. R. Rutledge and S. D. Wetmore “Effects of the Biological Backbone on DNA-Protein Stacking Interactions” Phys. Chem. Chem. Phys., 11, 10657-10670 (2009).

(48) K. M. Schlitt, K. M. Sun, R. J. Paugh, A. L. Millen, L. Navarro-Whyte, S. D. Wetmore “Concerning the Hydrolytic Stability of 8-Aryl-2'-Deoxyguanosine Nucleoside Adducts: Implications for Abasic Site Formation at Physiological pH ”J. Org. Chem. (Featured Article), 74, 5793-5802 (2009).

(47) J. L. Przybylski and S. D. Wetmore“Designing an Appropriate Computational Model for DNA Nucleoside Hydrolysis: A Case Study of 2'-deoxyuridine ” J. Phys. Chem. B, 113, 6533-6542 (2009).

(46) K. Zhang, R. Teklebrhan, G. Schreckenbach, S. D. Wetmore, F. Schweizer “Intramolecular Hydrogen Bond-Controlled Prolyl Amide Isomerization in Glucosyl 3'(S)-Hydroxy-5'-hydroxymethylproline Hybrids: Influence of a C-5'-Hydroxymethyl Substituent on the Thermodynamics and Kinetics of Prolyl amid Cis/Trans Isomerization” J. Org. Chem., 74, 3735-3743 (2009).

(45) L. R. Rutledge, H. F. Durst and S. D. Wetmore “Evidence for Stabilization of DNA/RNA-Protein Complexes Arising from Nucleobase-Amino Acid Stacking and T-shaped Interactions” J. Chem. Theory Comput., 5, 1400-1410 (2009) (Featured on Cover of May Issue).
(44) A. L. Millen, and S. D. Wetmore “Glycosidic Bond Cleavage in Deoxynucleotides: A Density Functional Study” Can. J. Chem., 87, 850-863 (2009).

(43) L. A. Lait, L. R. Rutledge, A. L. Millen, and S. D. Wetmore “yDNA versus xDNA Pyrimidine Nucleobases: Computational Evidence for Dependence of the Duplex Stability on Spacer Location” J. Phys. Chem. B, 112, 12526-12536 (2008).

(42) L. R Rutledge and S. D Wetmore “Remarkably Strong T-shaped Interactions between Aromatic Amino Acids and Adenine: Their Increase Upon Nucleobase Alkylation and a Comparison to Stacking” J. Chem. Theory Comput., 4, 1768-1780 (2008).

(41) A. L. Millen, C. K. McLaughlin, K. M. Sun, R. A. Manderville and S. D. Wetmore, "Computational and Experimental Evidence for the Structural Preference of Phenolic C-8 Purine Adducts", J. Phys. Chem. A, 112, 3742-3753 (2008).

(40) L. R. Rutledge, H. F. Durst, and S. D. Wetmore, "Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases", Phys. Chem. Chem. Phys., 10, 2801-2812 (2008).

(39) L. R. Rutledge, L. S. Campbell-Verduyn, and S. D. Wetmore, "Characterization of the stacking interactions between DNA or RNA nucleobases and the aromatic amino acids", Chem. Phys. Lett., 444, 167-175 (2007).

(38) T. L. McConnell and S. D. Wetmore, "How Do Size-Expanded DNA Nucleobases Enhance Duplex Stability?: Computational Analysis of the Hydrogen-Bonding and Stacking Ability of xDNA Bases", J. Phys. Chem. A, 111, 2999-3009 (2007).

(37) K. C. Hunter and S. D. Wetmore, "Environmental Effects on the Enhancement in Natural and Damaged DNA Nucleobase Acidity Due to Discrete Hydrogen-Bonding Interactions", J. Phys. Chem. A, 111, 1933-1942 (2007).

(36) A. L. Millen, L. A. Archibald, K. C. Hunter and S. D. Wetmore, "Kinetic and Thermodynamic Study of the Glycosidic Bond Cleavage of Deoxyuridine", J. Phys. Chem. B, 111, 3800-3812 (2007).

(35) K. C. Hunter, A. L. Millen and S. D. Wetmore, "Effects of Hydrogen-Bonding and Stacking Interactions with Amino Acids on the Acidity of Uracil", J. Phys. Chem. B, 111, 1858-1871 (2007).

(34) L. R. Rutledge, C. A. Wheaton and S. D. Wetmore, "Hydrogen-Bonding and Stacking Interactions of Hypoxanthine", Phys. Chem. Chem. Phys., 9, 497-509 (2007).
Publications From Mount Allison University (2001-2006)

(33) L. R. Rutledge, L. S. Campbell-Verduyn, K. C. Hunter and S. D. Wetmore, "Characterization of Stacking Interactions Utilized by a DNA Repair Enzyme", J. Phys. Chem. B 110(39), 19652-19663 (2006).

(32) C. A. Wheaton, S. D. Dobrowolski, A. L. Millen and Stacey D. Wetmore, "Nitrosubstituted Aromatic Molecules as Universal Nucleobases: Computational Analysis of Stacking Interactions", Chem. Phys. Lett. 428(1-3), 157-166 (2006).

(31) K. C. Hunter and S. D. Wetmore, "Hydrogen-Bonding Between Cytosine and Water: Computational Evidence for a Ring-Opened Complex", Chem. Phys. Lett., 422(4-6), 500-506 (2006).

(30) K. C. Hunter, L. R. Rutledge and S. D. Wetmore, "The Hydrogen-Bonding Properties of Cytosine: A Computational Study of Cytosine Complexed with Hydrogen Fluoride, Water and Ammonia", J. Phys. Chem. A, 109(42), 9554-9562 (2005).

(29) T. L. McConnell, C. A. Wheaton, K. C. Hunter, and S. D. Wetmore, "Effects of Hydrogen Bonding on the Acidity of Adenine, Guanine and Their 8-oxo Derivatives", J. Phys. Chem. A, 109(28), 6351-6362 (2005).

(28) S. M. LaPointe and S. D. Wetmore, "Characterization of the Binding Interactions Between a Unique Class of Modified Purines and Natural Nucleobases", Chem Phys. Lett. 408(4-6), 322-328 (2005).

(27) A. Bardon and S. D. Wetmore, "How Flexible are Fleximer Nucleobases?: A Computational Study", J. Phys. Chem. A, 109(1), 262-272 (2005).

(26) S. M. LaPointe, C. A. Wheaton and S. D. Wetmore, "The Degenerate Properties of Modified Purine and Pyrimidine DNA Bases: A Density Functional Study", Chem. Phys. Lett., 400(4-6), 487-493 (2004).
(25) S. R. Whittleton, K. C. Hunter and S. D. Wetmore, "The Effects of Hydrogen Bonding on the Acidity of Uracil Derivatives", J. Phys. Chem. A., 198(38), 7709-7718 (2004).

(24) K. D. Parr and S. D. Wetmore, "The Properties of DNA C4'-Centered Sugar Radicals: The Importance of the Computational Model", Chem. Phys. Lett., 389(1-3), 75-82 (2004).
(23) M. Di Laudo, S. R. Whittleton and S. D. Wetmore, "The Effects of Hydrogen Bonding on the Acidity of Uracil", J. Phys. Chem. A., 107(39), 10406-10413 (2003).

(22) S. M. LaPointe and S. D. Wetmore, "Striving to Understand the Properties of Universal Nucleobases: A Computational Study of Azole Carboxamides", J. Phys. Chem. A, 107(39), 7900-7910 (2003).

Publications as a Trainee (2004-1995)
(21) S. D. Wetmore, D. M. Smith, J. T. Bennett and L. Radom, "Understanding the Mechanism of Action of B12-Dependent Ethanolamine Deaminase: Synergistic Interactions at Play", J. Am. Chem. Soc. 124(47), 14054-14065 (2002).
(20) S. D. Wetmore, R. Schofield, D. M. Smith and L. Radom, "A Theoretical Investigation of the Effects of Electronegative Substitution on the Strength of C–H•••N Hydrogen Bonds", J. Phys. Chem. A, 105(38), 8718-8726 (2001).
(19) S. D. Wetmore, D. M. Smith and L. Radom, "The Enzyme Catalysis of 1,2-Amino Shifts: The Cooperative Action of B6, B12 and Aminomutases", J. Am. Chem. Soc., 123(36), 8678-8689 (2001).
(18) D. M. Smith, S. D. Wetmore and L. Radom, "Theoretical Studies of Coenzyme B12-Dependent Carbon-Skeleton Rearrangements", In Theoretical Biochemistry - Processes and Properties of Biological Systems. Theoretical and Computational Chemistry, Vol. 9, L. A. Eriksson, Ed., Elsevier, Amsterdam, 2001, pp. 183-214.
(17) S. D. Wetmore, D. M. Smith, B. T. Golding and L. Radom, "Interconversion of (S)-Glutamate and (2S,3S)-3-Methylaspartate: A Distinctive B12-Dependent Carbon-Skeleton Rearrangement", J. Am. Chem. Soc., 123(33), 7963-7972 (2001).
(16) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, "A Theoretical Study of 5-Halouracils: Electron Affinities, Ionization Potentials and Dissociation of the Related Anions", Chem. Phys. Lett., 343(1-2), 151-158 (2001).
(15) S. D. Wetmore, D. M. Smith and L. Radom, “Catalysis by Mutants of Methylmalonyl-CoA Mutase: A Theoretical Rationalization for a Change in the Rate-Determining Step”, ChemBioChem., 2(12), 919-922 (2001).
(14) M. Hartmann, S. D. Wetmore, L. Radom, "C-H...X Hydrogen Bonds of Acetylene, Ethylene and Ethane with First- and Second-Row Hydrides", J. Phys. Chem. A, 105(18), 4470-4479 (2001).
(13) S. D. Wetmore, D. M. Smith and L. Radom, "How B6 Helps B12: The Roles of B6, B12 and the Enzymes in Aminomutase-Catalyzed Reactions", J. Am. Chem. Soc., 122(41), 10208-10209 (2000).
(12) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, "The IPs and EAs of the DNA Bases", Chem. Phys. Lett., 322(1-2), 129-135 (2000).
(11) J. F. Read , S. A. Bewick, L. G. Dunfield and S. D. Wetmore. “The Kinetic Effects of Decreasing Catalytic Activity on a Simple Rate Expression”, Int. J. Chem. Kinet., 32(1), 7-16 (2000)
(10) S. D. Wetmore, R. J. Boyd, L. A. Eriksson and A. Laaksonen, “A Combined Quantum Mechanics and Molecular Dynamics Study of Small Jahn-Teller Distorted Hydrocarbons: Another Difficult Test for Density-Functional Theory”, J. Chem. Phys., 110(24), 12059-12069 (1999).
(9) F. Ban, S. D. Wetmore and R. J. Boyd, “A Density-Functional Theory Investigation of the Radiation Products of l- -alanine”, J. Phys. Chem. B, 103(21), 4303-4308 (1999).
(8) S. D. Wetmore, L. A. Eriksson and R. J. Boyd, “A Theoretical Investigation of Adenine Radicals Generated in Irradiated DNA Components”, J. Phys. Chem. B, 102(51), 10602-10614 (1998).
(7) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, “Comparison of Experimental and Calculated Hyperfine Coupling Constants. Which Radicals are Formed in Irradiated Guanine?”, J. Phys. Chem. B, 102(46), 9332-9343 (1998).
(6) S. D. Wetmore, L. A. Eriksson, R. J. Boyd, “The Calculation of Accurate 17O Hyperfine Coupling Constants in the Hydroxyl Radical. A Difficult Problem for Current Quantum Chemical Methods.”, J. Chem. Phys.,109(21), 9451-9462 (1998).
(5) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, “A Comprehensive Study of Sugar Radicals in Irradiated DNA”, J. Phys. Chem. B, 102(39), 7674-7686 (1998).
(4) S. D. Wetmore, F. Himo, R. J. Boyd and L. A. Eriksson, “Effects of Ionizing Radiation on Crystalline Cytosine Monohydrate; The Importance of OH Radicals”, J. Phys. Chem. B, 102(38), 7484-7491 (1998).   
(3) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, “Radiation Products of Thymine, 1-Methylthymine and Uracil Investigated by Density Functional Theory”, J. Phys. Chem. B, 102(27), 5369-5377 (1998).
(2) S. D. Wetmore, R. J. Boyd and L. A. Eriksson, “A DFT Investigation of the Hyperfine Coupling Constants in Peroxyl Radicals”, J. Chem. Phys., 106(18), 7738-7748 (1997).
(1) D. J. Jobe, V. C. Reinsborough and S. D. Wetmore, “Sodium Dodecyl-Sulfate Micellar Aggregation Numbers in the Presence of Cyclodextrins”, Langmuir, 11(7), 2476-2479 (1995).
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