Publications since 2010 (Lifetime numbering Reverse Chronological order)

For a complete list, see: AR_CV

2000 - 2009


Michael H. Benn, Yan Yan Huang, Frank Johannsen, Michael O'Reilly, Masood Parvez, Arvi Rauk, and Ted Sorensen, Concerning the Conformation Preferences of the 2-Cyano Derivatives of Oxane, Thiane, and Selenenane, Can. J. Chem., 88 (2009), 831 - 838. DOI:10.1139.V10-035


201. Oya Ünsal Tan, Kevser Özden, Arvi Rauk and Ayla Balkan., Synthesis and Cyclooxygenase Inhibitory Activities of Some N-Acylhydrazone Derivatives of Isoxazolo[4,5-d]pyridazin-4(5H)-ones. European Journal of Medicinal Chemistry (2010), 45, 2345-2352.


A. Rauk, The Chemistry of Alzheimer's Disease, Chem. Soc. Rev., 2009, DOI: 10.1039/b807980n


M. Jake Pushie, Arvi Rauk, Frank R. Jirik, Hans J. Vogel, Can Copper Binding to the Prion Protein Generate an Infectious Form of the Protein? BioMetals, 22, 159-175 (2009)


S. D. Barry, G. A. Rickard, M. J. Pushie, and A. Rauk The Affinity of HGGG, GHGG, GGHG, and GGGH Peptides for Copper(II) and the Structures of their Complexes. An Ab Initio Study, Can. J. Chem. 87 (2009), 942-953. DOI:10.1139/V09-034


N. Hewitt and A. Rauk, The Mechanism of Hydrogen Peroxide Production by Copper-bound Amyloid Beta Peptide: A Theoretical Study. J. Phys. Chem. B, 113, 1202-1209 (2009).


B. Mothana, S. Roy, and A. Rauk. Molecular Dynamics study of the interaction of Ab(13-23) with b-sheet inhibitors. ARKIVOC (2009) 116-134 - In honour of Ted Sorensen

2010 - 2020

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Badran, Ismail ; Rauk, Arvi ; Shi, Yujun, New Orbital Symmetry-Allowed Route for Cycloreversion of Silacyclobutane and Its Methyl Derivatives, JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 123(9), 1749-1757.


Stanley, K. A. Opare and Arvi Rauk, Pseudopeptide Designed to Inhibit Oligomerisation and Redox Chemistry in Alzheimer's Disease, J. Phys. Chem B, 2019,123, 5206-5215: DOI: 10.1021/acs.jpcb.9b01665


Banafsheh Mehrazma and Arvi Rauk, Exploring amyloid-beta dimer structure using molecular dynamics simulations, J. Phys. Chem. A, 2019, 123, 4658-4670.


Badran, Ismail; Rauk, Arvi; Shi, Yujun, New Orbital Symmetry Allowed Route for Cycloreversion of Silacyclobutane and Its Methyl Derivatives, J. Phys. Chem. A, Manuscript ID: jp-2018-08071z.R3


Banafsheh Mehrazma, Stanley Opare, Anahit Petoyan and Arvi Rauk, D-Amino Acid Pseudopeptides as Potential Amyloid-Beta Aggregation Inhibitors, Molecules, 2018, 23, 2387; doi:10.3390/molecules23092387


Arvi Rauk, ß-N-Methylamino-L-alanine (BMAA) and Alzheimer's, J. Phys. Chem. B, 2018, 122(16):4472-4480. DOI 10.1021/acs.jpcb.8b01641


Stanley K. A. Opare and Arvi Rauk, Copper(I) chelators for Alzheimer's disease, J. Phys. Chem. B 2017, 121 (50), 11304-11310: DOI: 10.1021/acs.jpcb.7b10480


Alexander Tennant, Arvi Rauk, and Michael Wieser, Computational Modelling of the Redistribution of Copper Isotopes by Proteins in the Liver, Metallomics, 2017, 9, 1809-1819, DOI:10.1039/C7MT00248C


Banafsheh Mehrazma; Morgan Robinson; Stanley Opare; Anahit Petoyan; Jennifer Lou; Francis T Hane; Arvi Rauk; Zoya Leonenko, Pseudopeptide amyloid-<beta> blocking inhibitors: Molecular Dynamics and Single Molecule Force Spectroscopy study.   BBA - Proteins and Proteomics. SI: Biophysics in Canada. 2017, 1865, 1707-1718.


Zohreh Amini, Mohammad Hossein Fatemi and Arvi Rauk, Molecular Dynamics studies of a b-sheet blocking peptide with the Amyloid Beta Peptide of Alzheimer's Disease, Can. J. Chem. 2016, 94(10): 833-841; DOI: 10.1139/cjc-2016-0267


Banafsheh Mehrazma, Anahit Petoyan, Stanley K. A. Opare, and Arvi Rauk, Interaction of N-AcAb(13-23)NH2, the Self-Recognition Site Of the Beta Amyloid Peptide with Beta-Sheet-Blocking Peptides: Site and Edge Specificity, Can J. Chem. 2016, 94, 583-592.DOI: 10.1139/cjc-2016-0033.


S. K. A. Opare, A. Petoyan, B. Mehrazma, and A. Rauk, Molecular Dynamics Study of the Monomers and Dimers of N-Ac-Ab(13-23)NH2: On the Effect of pH on the Aggregation of the Amyloid Beta Peptide of Alzheimer.s Disease, Canadian Journal of Chemistry, 2016, 94(4): 273-281, 10.1139/cjc-2015-0036 


Francis Hane, Brenda Yasie Lee, Anahit Petoyan, Arvi Rauk, and Zoya Leonenko, Testing Synthetic Amyloid-? Aggregation Inhibitor Using Single Molecule Atomic Force Spectroscopy, Journal of Biosensors and Bioelectronics, 2014, 54: 492-498:


Samira Azimi and Arvi Rauk,  Fe(III)-Heme Complexes with the Amyloid Beta Peptide of Alzheimer's Disease: QM/MM Investigations of Binding and Redox Properties,   Journal of Chemical Theory and Computation, 2013, 9 (9), pp 4233-4242: DOI: 10.1021/ct400364b.


Ismail Badran, Arvi Rauk, and Yujun Shi, A theoretical study on the ring-opening of 1,3-disalacyclobutane and H2 elimination, J. Phy. Chem. A, 2012, 116, 11806-11816: DOI: 10.1021/jp3087122   


Press, David J.; McNeil, Nicole M. R.; Rauk, A.; Back, T. G., NMR and Computational Studies of the Configurational Properties of Spirodioxyselenuranes that Act as GPx Mimetics.  Are Dynamic Exchange Processes or Temperature-Dependent Chemical Shifts Involved? - J. Org. Chem., 2012, 77, 9268-9276: DOI: 10.1021/jo301846a   


Azimi, S.; Rauk, A., The Binding of Fe(II)-Heme to the Amyloid Beta Peptide of Alzheimer's Disease: QM/MM Investigations,  Journal of Chemical Theory and Computation, 8, 5150-5158 2012. DOI: 10.1021/ct300716p 


T. Wondimagegn and A. Rauk, The Structures and Stabilities of the complexes of biologically available ligands with Fe(II)-Porphine: an ab initio study, J. Phys. Chem. B, 2012, 116, 10301-10310: DOI: 10.1021/jp305864y   


 Rauk, A.,The Involvement of Redox Active Metals in Alzheimer's Disease: What Can Computational Chemistry Tell Us?  International Journal of Chemical Modelling, 2016, 8, 185-198.


Michael H. Benn, Arvi Rauk, and Thomas W. Swaddle, Measurement of the interaction of aqueous copper(II) with a model amyloid-â protein fragment — Interference from buffers.  Can. J. Chem. 89: 1429–1444 (2011): DOI: 10.1139/V11-101 


S. Azimi and A. Rauk. On the Involvement of Copper binding to the N-Terminus of the Amyloid Beta Peptide of Alzheimer's Disease: A Computational Study, Int. J. Alzheimers Dis.  vol. 2011, Article ID 539762, 15 pages, 2011. doi:10.4061/2011/539762


J. Ali-Torres, L. Rodriguez-Santiago, M. Sodupe, and A. Rauk, Structures and Stabilities of Fe2+/3+ Complexes Relevant to Alzheimer's disease: An ab initio Study, J. Phys. Chem. A, 2011,115(45),12523-30. Epub 2011 Jun 16: DOI: 10.1021/jp2026626


T. Wondimagegn and A. Rauk, The Structures and Stabilities of the complexes of biologically available ligands with Fe(III)-Porphine: an ab initio study, J. Phys. Chem. B, 115 ( 2011), 569-579.DOI: 10.1021/jp1090747 


M. H. Benn, M. Parvez, N. B. Perry, A. Rauk, and J. W. van Klink, H09289. Correction of a Reported Xanthone Synthesis: the Preparation of a Benzo[c]coumarin, Helv. Chim. Acta , 93 (2010) 389-394.DOI: 10.1002/hlca.200900289

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1990 - 1999