Table Of Content

Al-1 ————— Canadian Journal of Revue canadienne de Chemistry chimie Author Index Index des auteurs Volume 88, 2010 Volume 88, 2010 Abderrabba, M., 613 Carvalho, A.B., 338 Ferguson, M.J., 797 Abdul Rahman, N.I., 654 Chadha, P., 1213 Fitzwater, S.J., 500 Adamescu, A., 65 Chan, B., 866 Ford, T.A., 716 Adeppa, K., 1277 Chan, J.K., I‘ oucher, D.A., 1046 Aghapour, G., 598 Chang, S.W., 19 I i is. IOP Ahmed, Z., 910 Chen, J.-R., I Akbar, J.R., 1262 “heng, H., 9 Al-Abadleh, H.A., 65 ‘hoi, P., 260 Fr Alamdari, R.F., 56O335 ‘hong, D.P | Ali, A.A.-S., 725 “hu, T.S., 893 Ali, D., 910 “hua, Z., 969 Alizadeh, A., 514 ‘ipot-Wechsler, Alkorta, I., 694 lements, A., 5 Andrei, G., 628 onrad, E., 79 Arabi, A.A., 1057 yk, E., 99 Araujo, R.C.M.U., 338 ooper, E., §42 Asano, T., 839 ‘orrea, J.V., 858 Ased, A., 1040 ‘ortés, J., 383 Atkinson, D.B., 1017 ‘rane, A.K., 1094 Ayadi 3 NRADRSRMArRDa APnAe A,R ALS.AND.L, AD1 118 Baker, J., 588 Crawford, S.M., 725 Balakrishnan, V.K., 393 Cristea, C., 42 Balzarini, J., 628 Czerniewski, A Bandrauk, A.D., 1186 Dai, B., 453 Bar, S., 605 Dan, Y., 185 Barik, S., 945 Dance, P., 839 Barnes, J.A., 40] Das, S., 150 Basilevsky, M.V., 839 Davis, B., 548 Becke, A.D., 1057 De Clercq, E., 628 Bedell, B.J., 969 Del Bene, J.E., 694 Beg, S., 5 Deng, J., 754 Bejan, D., 418, 928 De Proft, F., 858 Benn, M.H., 831 Deubry, R., 1262 Beshara, C.S., 1009 DiLabio, G.A., 1053 Bi, J., 1205 Ding, Z., 569 Bleeker, R.S., 50 Di Vitta, C., 996 Bohle, D.S., 969 Divsalar, A., 155 Guthrie, J.P., 79 Bolduc, A., 236 Djukic, B., 954 Guzonas, D., 646 Bordbar, A.-K., 155 Dlugy, C., 305 Haghdoust, M., 135 Bosdet, M.J.D., 426 Doucet, K.G., 709 Hajra, A., 150 Boudreau, J., 418 Dufresne, S., 236 Hamilton, I.P., 65 Brash, J.L., 411 Duhamel, J., 217 Hanan, G.S., 236 Brisach-Wittmeyer, A., 463 Dutton, J.L., 1213 Harisha, R.S., 443 Bulut, M., 375 Edwards, E., 839 Hassanzadeh, N., 579 Bunce, N.J., 418, 928 Eftekhari, A., 104 Hata, K., 1026 Buncel, E., 910 Elguero, J., 694 Hatefipour, R., 598 Burford, N., 797 El-Sherif, S., 928 Hawe, G.I., 1104 Burnell, DJ., 1118 El-Zoghbi, I., 1040 Heard, G.L., 1112 Burt, M.B., 1094 Emwas, A.-H.M., 111 Heiney, P.A., 639 Cameron, T.S., 725, 1154 Eshghi, A., 514 Hernandez-Marin, E., 683 Camur, M., 375 Evans, A.C., 969 Hesp, K.D., 700 Cao, L.J., 352 Everett, W.C., 1112 Hof, F., 1009 Cardoso Filho, J.E.P., 996 Fasano, D.M., 500 Hojati, S.F., 135 Carmichael, C.D., 667 Feng, H., 185 Holland, D.M.P., 142 Carrington, T., Jr., 779 Feng, R., 898 Holmes, B.E., 1112 Published by NRC Research Press Al-2 Can. J. Chem. Vol. 88, 2010 Holy, A., 628 Kondratyeva, I., 659 Montaut, S., 50 Hope-Ross, K.A., 639, 1003 Kosari, M., 579 Morakinyo, M.K., 1247 Hor, A.-M., 247 Krapp, A., 1079 Morshead, C.M., 277 Hosamani, K.M., 443 Kumacheva, E., 298 Moya, H.D., 533 Hou, L., 1256 Kundu, D., 150 Mroué, K.H., 111 Hou, S., 35 Lamsabhi, A.M., 759 Mshvildadze, V., 104 Houle, S., 1222 Lau, W., 500 Muchall, H.M., 1175 Hsieh, Y.-H., 56 Lavoie, S., 104 Muhammad, S., 434 Huang, C.-F., 228 Lee, K.R., 519 Muir, M., 588 Huang, W., 804 Legault, J., 104 Mulsant, B.H., 1222 Huang, Y.Y., 831 Lemaire, M.T., 954 Muroya, Y., 1026 Hubicki, Z., 540 Le Roy, R.J., 1146 Mzengeza, S., 969 Hue, T.T., 849 Lewis, M., 5 Nair, S.V., 298 Hunter, N., 344 Pai; Poy. S02 Nakajima, A., 556 Hurtado, M., 744 Li, H., 1146 Nakashima, K., 208 Ingold, K.U., 1053 Li, M., 981 Nand, B., 906 Ingratta, M., 217 Li, N., Nawaz, Q., 288 Iqbal, M., 434 ba, KR. Ngaini, Z., 654 Irfan, A., 434 Ei as Nguyen, M.T., 849 Jabbari, M., 877 Liang, Niknam, K., 164 Jachuta, J., 540 Laao,; 3J.. 3:2 Nkeng, P., 463 Jacques, C., 50 Liko, I., 1 Nordstrom, C.M., 736 Jager, W., 1146 Lin Nori-Shargh, D., 579 James, B.R., 886 Liu Nussaiba, N., 277 Janeba, Z., 628 Liu, Ocal, N., 323 Janjua, M.R.S.A., 434 Liu, Odosiy, L., 659 Jaque, P., 858 Liu, W., 35 Oguadinma, P.O., 472 Jay-Gerin, J.-P., 646, 1026 Liu, Y., 1146 Oh, J.K., 173 Jenkins, H.A., 954 Liu, Z., 485, 622 Oleschuk, R.D., 401 Jessop, P.G., 548 Llano, J., 804 Oliveira, B.G., 338 Ji, H.B., 352 Lo, J.M.H., 1136 O’Reilly, M., 831 Ni, L., 362 Long, Y., 569 Otoikhian, A.A., 1247 Jiang, Z., 964 Loock, H.-P., 401 Ozkaya, A.R., 375 Jiao, S.-y., 367 Lukeman, M., 493 Palabrica, V., 393 Jin, B., 485 MacKay, M., 1154 Panthong, K., 937 Jin, Z., 411 MacKinnon, C.D., 309 Parvez, M., 426, 831 Johannsen, F., 831 MacLaren, D.C., 1063 Paton, A.S., 298 Johnson, M.J., 309 Majee, A., 150 Paudel, A., 458 Jokar, M., 14 Maleki, B., 135 Peiris, S., 79 Joshi, P., 1034 Mamo, D.C., 1222 Pekcan, O., 267 Joshi, Y.C., 1034 Marangoni, D.G., 124, 1262 Peslherbe, G.H., 1175 Joycharat, N., 937 Marino, D.C., 533 Petersen, J.L., 1247 Kadla, J.F., 639. 1003 Marriott, R.A., 1136 Petukhova, A., 298 Kamble, R.M., 1233 Martic, S., 524 Pichette, A., 104 Kang, L., 453 Marzorati, L., 996 Pickup, J., 797 Kanjana-Opas, A., 922 Masuda, J.D., 99 Piers, W.E., 426 Kannemann, F.O., 105 oy Mathew, M., 217 Plodpai, P., 937 Karalai, C., 922 Matsuda, E., 556 Pohl, R., 628 Kate, A.S., 318 Matyjaszewski, K., 228 Poillerat, G., 463 Katsumura, Y., 1026 Mawhinney, R.C., 309 Poirier, R.A., 1094 Kavita, 1034 Mayer, P.M., 142 Pollock, B.G., 1222 Kavitha, C.S., 443 McDonald, R., 700, 797 Ponglimanont, C., 922 Kazmaier, P.M., 910 McGrath, A.J., 736 Popelier, P.L.A., 1104 Kennedy, D.C., 886 McLachlan, A.A., 124 Porcar, L., 288 Kerr, R.G., 318 Meesungnoen, J., 646, 1026 Porumb, D., 42 Khan, A., 1046 Ménard, H., 463 Pottie, IL.R., 1118 Khan, F., 247 Meng, Q., 981 Power, W.P., 111 Khanna, S., 247 Messier, T., 493 Pyé/C.C.,. 109 Khodaei, M.M., 514 Miller, D.O., 1118 Qian, G., 192 Khurana, J.M., 906 Ming-Hua, L., 1205 Rabieikarahroudi, P., 579 Kim, C.-K., 56 Misra, K., 1277 Radom, L., 866 Kim, K.H., 519 M6, O., 744, 759 Ragogna, P.J., 27, 1213 Klobukowski, M., 1136 Mohammadi, F., 155 Rahman, M., 150 Kobasa, I., 659 Mohammadi, K., 155 Ramana, M.M.V., 1233 Koc, ce 375 Mohammadpoor-Baltork, I., 135 Ramanathan, B., 318 Kotodynska, D., 540 Molaee, H., 164 Ramasami, P., 716 Published by NRC Research Press Author index / Index des auteurs Ramos, M.N., 338 Stoddard, R.L., 725 Winter, A.J., 309 Rauk, A., 831 Stradiotto, M., 700 Wolfe, S., 1, 56 Ravenelle, F., 202 Su, N., 1094 Wolfson, A., 305 Ren, X., 1240 Su, Z.-M., 434 Wu, D., 964 Rennie, E.E., 142 Sun, C., 898 Wu, G., 524 Rharbi, Y., 288 Sun, G., 1256 Wu, Z., 964 Rice, N., 1094 Sundararajan, P.R., 247 Xia, A., 99 Richard, K., 318 Tajima, K., 556 Xiao, W.-J., 331 Robertson, C.M., 309 Takagi, N., 1079 Xie, J., 622 Robertson, K.N., 1154 Tanaka, K., 458 Xu, K.-x., 367 Rong, H., 1205 Tang, H., 1063 Yahyaei, H., 579 Roscoe, J.M., 1136 Tavor, D., 305 Yamashita, S., 1026 Roy, P.-N., 1146 Tchirioua, E., 1040 Yamato, T., 458 Ruda, H.E., 298 Thakkar, A.J., 736 Yan, Y., 1026 Rudolf, B., 991 Thompson, A., 725 Yan, Z., 1205 Rupainwar, D.C., 1277 Tiekink, E.R.T., 996 Yafiez, M., 744, 759 Rutledge, L.R., 815 Tindale, J.J., 27 Yang, F., 622 Saberi, D., 164 Toro-Labbeé, A., 858 Yang, K., 1, 5€ Sabino, L.Z.L., 533 Tountian, D., 463 Yargi, O., 267 Saboury, A.A., 155 Tran, D., 5 Yingyong yngkul, B Sachar, A., 478 Trung, N.T., 849 Yokoyama, Y., 208 Saikia, M., 1271 Ueda, Y., 556 Yoneda, A., 208 Salae, A.-W., 922 Ugalde, J.M., 769 Yong-Cun, Y., 1205 Sarma, J.C., 1271 Usur, §., 2 Yoon, J.A., 228 Scanga, V.I., 277 Valencia, E., 383 Yous M.. 288 Schaper, F., 472, 1040 van Oosten, E.M., 1222 Yu, C., 485 Sears, W.A., 309 Vasdev, N.. 1222 Yu-} W 205 Selim, O., 725 Vaughan, K., 344 Yuenyongsawad, S., 922 Shafiezadeh, F., 12 von Richthofen, A.A., 996 Yusa, S.-i., 208 Voravuthikunchai, $.P., 937 7 kt N 563 Sharghi, H., 14 Wachter, H., 401 Zi o D DAL Sharifi, S., 579 Waggoner, K., 5 Zhang, H., 5 Sharma, N., 1034 Wang, C.-j., 367 Zh E. PEPS Sharma, R.L., 478 Wang, F., 981 Zh M., 569 Shaw, D.A., 142 Wang, L., 964 Zhang, Q 2 Sheppard, A.C., 500 Wang, M., 260 Zha r.Y., 89 Sheviev, O., 305 Wang, S., 524 Zha Y., 260 Shik, A., 298 Wang, X.-G., 779 Zhi T) &9 Shimizu, T., 458 Wang, Y., 79, 622 Zhao, J., 367 Shoichet, M.S., 277 Wang, Y.J., 202 Zhao, X., 5 Shpinkova, L.G., 142 Wang, Y.-x., 367 Zh ¥, 18 Silaghi-Dumitrescu, I., 42 Wang, Z.Y., 192 Z ZX, Silaghi-Dumitrescu, L., 42 Ward, S., 493 z 9, W., 485 Simkin, M., 79 Wechsler, D., 548 ZI o Af Simoyi, R.H., 1247 Wedian, F., 1017 Zhe X.. 964 Sinnemaki, L.C., 309 Wei, Y., 362 Zhu, C., 362 Skene, W.G., 236, 945 Weinberg, N., 839 Zhu, S.. Snoeck, R., 628 Werstiuk, N.H., 1195 Zhu, X.X., 202 Song, Y.-Z., 676 Wetmore, S.D., 815 Zie r., 683 Sorensen, T., 831 Wettig, S.D., 1262 Zolfigol, M.A 4 Sorensen, T.S., 426 White, M.A., 1063 Zuk -scnhpe I 3 Stewart, K.M.E., 65 Wilson, A.A., 1222 Published by NRC Research Press Canadian Journal of Revue canadienne de Chemistry chimie Contents Sommaire Volume 88, 2010 Volume 88, 2010 January / Janvier ARTICLES / ARTICLES Saul Wolfe and Kiyull Yang On the role of lysine in the active site Ser-X-X-Lys region of penicillin-recognizing enzymes Michael Lewis, Shana Beg, Aimee Clements, Dianne Tran, and Kristine Waggoner Th¢ ect of substituent rotation on aromatic quadrupole moments Hashem Sharghi and Mahboubeh Jokar Highly stereoselective facile synthesis oofl B-amino carbonyl compounds via a Mannich-type reaction catalyzed by y-Al,0O3/MeSO3H (alumina/methanesulfonic acid: AMA) as a recyclab le, efficient, and Lid versatile heterogeneous catalyst Jocelyn J. Tindale and Paul J. Ragogna lonophilic phosphonium-appended carbopalladacycle catalyst for Suzuki-Miyaura and Heck cross-coupling catalysis Wujun Liu, Shuhua Hou, and Zongbao Kent Zhao Synthesis and electrochemical b enavior yi triazoie-containing nicotinamide adenine dinucleotide analogs Luiza Gaina, Dan Porumb, Ioan Silaghi-Dumitrescu, Castelia Cristea, and Luminita Silaghi-Dumitrescu§ On the microwave-assisted synthesis of acylphenothiazine derivatives — Experiment versus theory synergism ix Sabine Montaut, René S. Bleeker, and Carine Jacques Phytochemical constituent Cardamine Kiyull Yang, Yih-Huang Hsieh, Chan-Kyung Kim, Hui Zhang, and Saul Wolfe Hydration in water solvent Adrian Adamescu, Holly Gray, Katherine M.E. Stewart, LP. Hamilton, and Hind A. Al-Abadleh Trends frequencies of v(AsO,H,_,;) [x = 2-4] in selected As(V)-containing mm «CC com} pouulni ds ij LnivIeVsOStL UIS ACG I ng¢& Qu] Ualintt u I C calculations February / Février AWARD LECTURE / CONFERENCE D’HONNEUR J. Peter Guthrie, Sriyawathie Peiris, Margaret Simkin, and Yun Wang calculated using no barrier theory ARTICLES / ARTICLES Earl Cook, Jason D. Masuda, and Aibing Xia Synthesis, chara containing 8-quinolylphosphinite ligands André Pichette, Azadeh Eftekhari, Patricia Georges, Serge Lavoie, Vakhtang Mshvildadze, and Jean Legault phenolic compounds in leaf buds of Populus tremuloides Kamal H. Mroué, Abdul-Hamid M. Emwas, and William P. Power S investigation of three aluminum-centered dyes Aleisha A. McLachlan and D. Gerrard Marangoni 1D and 2D NMR investigations of charged polymers and surfactants Seyedeh Fatemeh Hojati, Iraj Mohammadpoor-Baltork, Behrooz Maleki, Mostafa Gholizadeh, Fatemeh Shafiezadeh, and Mahnaz Haghdoust 1,3-Dibromo-5,5-dimethylhydantoin as an efficient homogeneous catalyst for the synthesis of 2 arylthiazolines and 2-arylimidazolines Paul M. Mayer, Martyn F. Guest, Emma E. Rennie, Louise Cooper, Larisa G. Shpinkova, David M.P. Holland, and David A. Shaw Threshold ionization and dissociation of ¢-butylamine Sudarshan Das, Matiur Rahman, Dhiman Kundu, Adinath Majee, and Alakananda Hajra_ Task-specific ionic-liquid- catalyzed efficient synthesis of indole derivatives under solvent-free conditions Fakhrossadat Mohammadi, Abdol-Khalegh Bordbar, Khosro Mohammadi, Adeleh Divsalar, and Ali Akbar Saboury Circular dichroism and _ fluorescence spectroscopic study on the interaction of bisdemethoxycurcumin and diacetylbisdemethoxycurcumin with human serum albumin Published by NRC Research Press C-2 Can. J. Chem. Vol. 88, 2010 Khodabakhsh Niknam, Dariush Saberi, Hajar Molaee, and Mohammad Ali Zolfigol Silica-bonded S-sulfonic acid as a recyclable catalyst for the silylation of hydroxyl groups with hexamethyldisilazane (HMDS) March / Mars This Special Issue is dedicated to Professor Mitchell A. Winnik to honour his outstanding contributions to research in polymer chemistry and physics. / Numéro spécial honorant le professeur Mitchell A. Winnik pour sa contribution exceptionnelle a la chimie et a la physique des polymeéres. MINIREVIEW / MINISYNTHESE Jung Kwon Oh_ Engineering of nanometer-sized cross-linked hydrogels for biomedical applications ARTICLES / ARTICLES Haike Feng, Yi Dan, and Yue Zhao A sensitive fluorescence method for monitoring the kinetics of microemulsion polymerization Gang Qian and Zhi Yuan Wang Design, synthesis, and properties of benzobisthiadiazole-based donor—m—acceptor—n—donor type of low-band-gap chromophores and polymers Y.J. Wang, F. Ravenelle, and X.X. Zhu NMR imaging study of cross-linked high-amylose starch tablets — The effect of drug loading Jingjing Liu, Airi Yoneda, Dian Liu, Yuuichi Yokoyama, Shin-ichi Yusa, and Kenichi Nakashima Mixed micelles of poly(styrene-b-3-(methacryloylamino)propyltrimethylammonium chloride-b-ethylene oxide) and anionic amphiphiles in aqueous solutions Mark Ingratta, Manoj Mathew, and Jean Duhamel How switching the substituent of a pyrene derivative from a methyl to a butyl affects the fluorescence response of polystyrene randomly labeled with pyrene Chih-Feng Huang, Jeong Ae Yoon, and Krzysztof Matyjaszewski Synthesis of N-vinylcarbazole—N-vinylpyrrolidone amphiphilic block copolymers by xanthate-mediated controlled radical polymerization Andréanne Bolduc, Stéphane Dufresne, Garry S. Hanan, and W.G. Skene Synthesis, photophysics, and electrochemistry of thiophene—pyridine and thiophene—pyrimidine dyad comonomers Ferdous Khan, Shalini Khanna, Ah-Mee Hor, and P.R. Sundararajan The role of molecular volume and the shape of the hole transport molecule in the morphology of model charge transport composites Mingtao Wang, Nan Li, Phillip Choi, and Yaolin Zhang A study of the intermolecular branch frequency dependence of tie- chain concentration in single-site linear low-density polyethylene blown films by a new FTIR method §. Ugur, O. Yargi, and O. Pekcan Conductivity percolation of carbon nanotubes (CNT) in polystyrene (PS) latex film Vanessa I. Scanga, Alex Goraltchouk, Nasser Nussaiba, Molly S. Shoichet, and Cindi M. Morshead Biomaterials for neural-tissue engineering —- Chitosan supports the survival, migration, and differentiation of adult-derived neural stem and progenitor cells Y. Rharbi, M. Yousfi, Lionel Porcar, and Q. Nawaz Methods for probing the long-range dynamic of confined polymers in nanoparticles using small-angle neutron scattering Alla Petukhova, Andrew S. Paton, Ilya Gourevich, Selvakumar V. Nair, Harry E. Ruda, Alexander Shik, and Eugenia Kumacheva Hybrid microspheres with alternating layers of a polymer and metal nanoparticles April / Avril ARTICLES / ARTICLES Dorith Tavor, Oxana Sheviev, Christina Dlugy, and Adi Wolfson Transfer hydrogenations of benzaldehyde using glycerol as solvent and hydrogen source Wendy A. Sears, Craig D. MacKinnon, Robert C. Mawhinney, Lauren C. Sinnemaki, Matthew J. Johnson, A. John Winter, and Craig M. Robertson Using the nitro group to induce 1-stacking in terthiophenes Abhijeet S. Kate, Kelly Richard, Balaji Ramanathan, and Russell G. Kerr A halogenated pseudopterane diterpene from the Bahamian octocoral Pseudopterogorgia acerosa Melek Gul and Nuket Ocal Heck-type hydroarylations and 1,3-dipolar cycloaddition reactions of new tricyclic hydrazones Jia-Rong Chen, Jie Liao, and Wen-Jing Xiao Microwave-assisted, palladium-catalyzed carbonylative cyclization — Rapid synthesis of 2-quinolones from unprotected 2-iodoanilines and terminal alkynes Boaz G. Oliveira, Regiane C.M.U. Aratjo, Antonio B. Carvalho, and Mozart N. Ramos AGOA hydration clusters produce the solvation effect on the aziridine---hydrofiuoric acid complex — A modern proposal Published by NRC Research Press Contents / Sommaire Naomi Hunter and Keith Vaughan Triazene derivatives of (1,x)-diazacycloalkanes — Part IX. Synthesis and characterization of a series of 1,4-di[2-aryl-1-diazenyl]-2,6-dimethylpiperazines An Yong Li, Li Juan Cao, and Hong Bo Ji Theoretical study of H bonds of HArF and HF with isoelectronic systems N>, CO, and BF Chenjie Zhu, Lei Ji, Qian Zhang, and Yunyang Wei Catalytic hypervalent iodine oxidation of alcohols to the corresponding carbonyl compounds using N-hydroxyphthalimide (NHPI) and m-chloroperbenzoic acid Kuo-xi Xu, Yu-xia Wang, Shu-yan Jiao, Jin Zhao, and Chao-jie Wang Enantioselective fluorescent sensors for chiral carboxylates based on BINOL — Synthesis and chiral recognition Imran Koc, Meryem Camur, Mustafa Bulut, and A. Riza Ozkaya Electrochemical and in situ spectroelectrochemical investigations into the redox and aggregation behaviours of phthalocyanines bearing octyl 4-phenyloxyacetate moieties Joaquin Cortés and Eliana Valencia Mean-field study of the synergic effect of the CO-—NO reaction on a heterogeneous substrate of interconnected sectors Vimal K. Balakrishnan and Virginia Palabrica Determining the maximum environmental release limit of the toxic dye, CHPD May / Mai AWARD LECTURE / CONFERENCE D’HONNEUR Hans-Peter Loock, Jack A. Barnes, Gianluca Gagliardi, Runkai Li, Richard D. Oleschuk, and Helen Wachter Absorption detection using optical waveguide cavities ARTICLES / ARTICLES Thilin Jin, John L. Brash, and Shiping Zhu ATRP grafting of oligo(ethylene glycol) methacrylates from gold surface Effect of monomer size on grafted chain and EO unit densities Jordache Boudreau, Dorin Bejan, and Nigel J. Bunce Competition between electrochemical advanced oxidation annidd electrochemical hypochlorination of acetaminophen at boron-doped diamond and ruthenium dioxide based anodes Michael J.D. Bosdet, Warren E. Piers, Ted S. Sorensen, and Masood Parvez 5b,7b-Diaza-3b,9b-diborabenzo| ghi |perylenes Muhammad Ramzan Saeed Ashraf Janjua, Zhong-Min Su, Wei Guan, Ahmad Irfan, Shabbir Muhammad, and Mudassire Iqbal A DcFeTe study on the electronicj and redox propertie; s of o[e XgV,4Osp]” ; (X = Si’ *, Geee't’ , P* , and As”) C.S. Kavitha, K.M. Hosamani, and R.S. Harisha Imino Diels—Alder reaction — An efficient synthetic protocol for methyl-4-substituted tetrahydroquinolines catalyzed by copper dipyridine dichlori LULIGG Lihua Kang and Bin Dai _ Effect of collision energy on cross sections and product alignments for the C("D) + H, (v = 0, j insertion reactions Tomoe Shimizu, Kan Tanaka, Arjun Paudel, and Takehiko Yamato Medium-sized cycl1 ophanes Part 85: Benzylation 8-(bromomethy!)[2.2]metacyclophanes. Through-space electronic interactions of [2.2]metacyclophane benzyl cations Dihourahouni Tountian, Anne Brisach-Wittmeyer, Paul Nkeng, Gérard Poillerat, and Hugues Ménard On the efficie > t of phenol and cyclohexanone electrocatalytic hydrogenation — Effect of conditioning anndd workkiinngo rp H iitn ace‘tetihc a ry on palladium/fluorine-doped tin dioxide supported catalyst Paul O. Oguadinma and Frank Schaper Synthesis and structures of isopropy!-f-diketiminata to copper(1) complexes Anand Sachar, Poonam Gupta, Shallu Gupta, and R.L. Sharma A novel approach towards the synthesis of t systems based on pyridine, pyran, thiopyran, azepine, oxepin, thiepin, and pyrimidine rings under different solvent Chuanming Yu, Beibei Jin, Zhenyu Liu, and Weihui Zhong A novel and cross-coupling Ol phenyl)boroxins with disulfides catalyzed by Cul/1,10-phenanthroline June / Juin ARTICLES / ARTICLES Sarah Ward, Tammy Messier, and Matthew Lukeman_ Electrophilicity of a 9-aryl-9-fluorenyl cation in water — Kinetic evidence for antiaromaticity David M. Fasano, Susan J. Fitzwater, Willie Lau, and Aurelia C. Sheppard Diffusion of oligomers in latex systems — route to low volatile organic compound (VOC) coatings Abdolhamid Alizadeh, Mohammad M. Khodaei, and Ali Eshghi A solvent-free protocol for the green synthesis of arylalkylidene rhodanines in a task-specific ionic liquid Ki Hyun Kim, Sang Wook Chang, and Kang Ro Lee_Feruloy! sucrose derivatives from Bistorta manshuriensis Sanela Martic, Gang Wu, and Suning Wang Interactions of cytidine with N-°-functionalized guanosines and cytidine—cytidine exchange involving a GC pair — NMR and fluorescence spectroscopic study Published by NRC Research Press C-4 Can. J. Chem. Vol. 88, 2010 Larissa Zuppardo Lacerda Sabino, Daniele Cestari Marino, and Horacio Dorigan Moya Determination of diltiazem based on the reduction of Cu(II)}—BCA complexes in micellar medium Justyna Jachuta, Dorota Kotodynska, and Zbigniew Hubicki Removal of Cd(II) and Pb(II) complexes with glycolic acid from aqueous solutions on different ion exchangers Dominik Wechsler, Boyd Davis, and Philip G. Jessop The dehydrogenation of combined organic and inorganic hydrogen- storage Carriers Akira Nakajima, Emiko Matsuda, Yuto Ueda, and Kunihiko Tajima ESR analysis of the oxidation reactions of phosphorus-containing nitrone-type spin traps with gold(III) ion Negar Zekri and Reza Fareghi Alamdari_ An efficient and selective method for the preparation of triphenylmethy] ethers of alcohols and nucleosides Xiaocui Zhao, Mengni Zhang, Yitao Long, and Zhifeng Ding Redox reactions of reactive oxygen species in aqueous solutions as the probe fer scanning electrochemical microscopy of single live T24 cells ADDITIONS AND CORRECTIONS / AJOUTS ET CORRECTIONS Delano P. Chong Theoretical study of the electron spectra of s-triazine vapour July / Juillet ARTICLES / ARTICLES Davood Nori-Shargh, Neda Hassanzadeh, Meisam Kosari, Parvin Rabieikarahroudi, Hooriye Yahyaei, and Sasan Sharifi Stereoelectronic interaction effects on the conformational properties of 5-methyl-5-aza-1,3-dithiacyclohexane and its analogous containing N, P, O, and Se atoms — A hybrid density functional theory (DFT), ab initio study, and natural bond orbital (NBO) analysis Jon Baker and Max Muir The Meisenheimer model for predicting the principal site for nucleophilic substitution in aromatic perfluorocarbons — Generalization to include ring-nitrogen atoms and non-fluorine ring substituents Ghasem Aghapour and Razieh Hatefipour Catalyst-free, direct, high regio-, and chemo-selective conversion of epoxides to 2-thiocyanatoalkyl alkanoates under neutral and solvent-free conditions Sukanta Bar Organocatalysis in the stereoselective bromohydrin reaction of alkenes Sameh Ayadi and Manef Abderrabba_ Etude DFT des réactions d’hydrogénation des cyclohéxénes disubstitués en position 2 et 3 Fafu Yang, Yanhua Wang, Hongyu Guo, Jianwei Xie, and Zhigiang Liu Novel lariat calix[{4]-1,3-aza-crowns with two branched chains — The excellent phase transfer catalysts for nucleophilic substitution reaction Zlatko Janeba, Antonin Holy, Radek Pohl, Robert Snoeck, Graciela Andrei, Erik De Clercq, and Jan Balzarini Synthesis and biological evaluation of acyclic nucleotide analogues with a furo[2,3-d]pyrimidin-2(3H)-one base Kyle A. Hope-Ross, Paul A. Heiney, and John F. Kadla_ A new family of bent-core C,-symmetric liquid crystals Jintana Meesungnoen, David Guzonas, and Jean-Paul Jay-Gerin Radiolysis of supercritical water at 400 °C and liquid-like densities near 0.5 g/cm’ — A Monte Carlo calculation Zainab Ngaini and Norashikin I. Abdul Rahman Synthesis and characterization of chalcone-substituted phosphazenes I. Kobasa, I. Kondratyeva, and L. Odosiy TiO /biscyanine and CdS/biscyanine heterostructures — Influence of the structural composition on the photocatalytic activity Christopher D. Carmichael and Michael D. Fryzuk Ortho-phenylene-bridged aryloxy phosphine ligands and their coordination chemistry with tantalum(V) Yuan-Zhi Song Electrochemical reduction of sunset yellow at a multiwalled carbon nanotube (MWCNT)-modified glassy carbon electrode and its analytical application August / Aout This Special Issue is dedicated to Professor Russell J. Boyd to honour his outstanding contributions to theoretical and computational chemistry. / Numéro spécial en hommage au professeur Russell J. Boyd pour souligner sa contribution exceptionnelle au domaine de la chimie théorique et numérique. ARTICLES / ARTICLES Elizabeth Hernandez-Marin and Tom Ziegler A kinetic study of dimethyl sulfoxide reductase based on density functional theory Janet E. Del Bene, Ibon Alkorta, and José Elguero Do corresponding coupling constants in hydrogen-bonded homo- and hetero-chiral dimers differ? Published by NRC Research Press Contents / Sommaire Kevin D. Hesp, Robert McDonald, and Mark Stradiotto Intramolecular hydroamination of unactivated alkenes with secondary alkylamines catalyzed by iridium phosphino-phenolate complexes Katherine G. Doucet, Julie F. Glister, and Cory C. Pye An ab initio study of model triazene-based anticancer agents Ponnadurai Ramasami and Thomas A. Ford Ab initio studies of the vibrational spectra of some hydrogen-bonded complexes of fluoroacetylene Adeeb Al-Sheikh Ali, Judy Cipot-Wechsler, Sarah M. Crawford, Omar Selim, Rhonda L. Stoddard, T. Stanley Cameron, and Alison Thompson The first series of alkali dipyrrinato complexes Cara M. Nordstrom, Alaina J. McGrath, and Ajit J. Thakkar Méicrosolvation of the formic acid dimer — (HCOOH),(H,0), clusters withn =1,...,5 Marcela Hurtado, Otilia Mo, and Manuel Yafez Homoselenocysteine — An oxygen or selenium acid in the gas phase? Jia Deng, Andrew T.B. Gilbert, and Peter M.W. Gill Diagnostics of molecular orbital quality Al Mokhtar Lamsabhi, Otilia Mo, and Manuel Yaiiez Serine—Ca~* versus serine-Cu~* complexes — A theoretical perspective Stawomir J. Grabowski and Jesus M. Ugalde Ab initio calculations on C,H¢---(HF),, clusters — X—H- m hydrogen bond Xiao-Gang Wang and Tucker Carrington, Jr. Theoretical study of the rovibrational spectrum of He,—-OCS Delano P. Chong Density functional theory study on the electron spectra of naphthal and 1 azuiene vapours Eamonn Conrad, Janet Pickup, Neil Burford, Robert McDonald, and Michael J. Ferguson Pr adducts (R3AsEX, for E = B, Al, and Ga) WenJuan Huang, Jorge Llano, and James W. Gauld A DFT st nuUaYyy dehydrogenase Lesley R. Rutledge and Stacey D. Wetmore The assessment of density functionals for DNA-protein complexes Michael H. Benn, Yan Yan Huang, Frank Johannsen, Michael O’Reilly, Masood Parvez, Arvi Rauk, and Ted Sorensen Concerning the conformational preferences of the 2-cyano derivatives of oxane, thiane, andd s eslel enane Paul Dance, Essex Edwards, Tsutomu Asano, Michael V. Basilevsky, and Noham Weinberg Nonequil effects in reaction kinetics — Steady-state solutions for the Agmon—Hopfield two-dimensional Nguyen Tien Trung, Tran Thanh Hue, and Minh Tho Nguyen Theoretical analysis (HNS), dimers — A case of red and blue shifts of N—H stretching frequency Pablo Jaque, José V. Correa, Frank De Proft, Alejandro Toro-Labbé, and Paul Geerlings Hoffmann rules for chelotropic reactions via conceptual DFT Bun Chan and Leo Radom A computational study of methanol-to-hydr barrier process September / Septembre ARTICLES / ARTICLES Morteza Jabbari and Farrokh Gharib Equilibrium studies of triphenyltin glycyl-glycyl-glycine in different aqueous solutions of ethanol David C. Kennedy and Brian R. James Syntheses of rutheniu tumour activity Dan Zhao, Tian Yu Zhang, and Tian Shu Chu A quasi-classical stereodynamics Liyan Liu, Ying Li, Rennan Feng, and Changhao Sun Direct ultrasound-assi fatty acid determinations Jitender M. Khurana and Bhaskara Nand Aqueous sodium hypochl chalcogenides to monoxides and dioxides by microwave exposure Dildar Ali, Zaheer Ahmed, Peter M. Kazmaier, and Erwin Buncel Synthesis and characterization of k azo-acetoxystyrene and azo-naphthalene oligomers via stable free radical polymerization (SFRP) Abdul-Wahab Salae, Chatchanok Karalai, Chanita Ponglimanont, Akkharawit Kanjana-Opas, and Supreeya Yuenyongsawad Naphthalene derivatives from Diospyros wallichii Shaimaa El-Sherif, Dorin Bejan, and Nigel J. Bunce Electrochemical oxidation of sulfide ion in synthetic sour brines using periodic polarity reversal at Ebonex® electrodes Nantiya Joycharat, Patimaporn Plodpai, Kanda Panthong, Boon-ek Yingyongnarongkul, and Supayang Piyawan Voravuthikunchai Terpenoid constituents and antifungal activity of Aglaia forbesii seed against phytopathogens Published by NRC Research Press C-6 Can. J. Chem. Vol. 88, Satyananda Barik, Sayuri Friedland, and W.G. Skene Understanding the reversible anodic behaviour and fluorescence properties of fluorenylazomethines — A structure—property study Haojin Cheng, Brandon Djukic, Hilary A. Jenkins, Serge I. Gorelsky, and Martin T. Lemaire Iron(II) complexes containing thiophene-substituted “bispicen” ligands — Spin-crossover, ligand rearrangements, and ferromagnetic interactions Zhaogiong Jiang, Zhiqing Wu, Lixia Wang, Di Wu, and Xiangge Zhou Preparation of aromatic amines by copper- catalyzed coupling of boronic acids with aqueous ammonia Barry J. Bedell, D. Scott Bohle, Zhijie Chua, Alexander Czerniewski, Alan C. Evans, and Shadreck Mzengeza Novel 6- gal- actosi. dase-specif“i~ c O--? glycosylated diazeni. umdio. late probes October / Octobre ARTICLES / ARTICLES Qingxi Meng, Fen Wang, and Ming Li _Bisoxazoline—-copper(I)-catalyzed aziridination of diazoacetate with imines — A DFT study Bogna Rudolf Synthesis of metallocarbony! substituted 1,2,3-triazole complexes via copper(I)-catalyzed azide—alkyne cycloaddition Andreas A. von Richthofen, José E. P. Cardoso Filho, Liliana Marzorati, Julio Zukerman-Schpector, Edward R.T. Tiekink, and Claudio Di Vitta Reactions of toluquinone—cyclopentadiene Diels—Alder epoxide adducts with nucleophiles under heterogeneous conditions 996 Kyle A. Hope-Ross and John F. Kadla Deoxygenation of diarylmethanols with dilute mineral acid 1003 Cory S. Beshara and Fraser Hof Modular incorporation of 1-benzyltryptophan into dipeptide hosts that bind acetylcholine in pure water 1009 Fadel Wedian and Dean B. Atkinson An atmospheric pressure static reactor—ion trap mass spectrometer for studying gas- phase reactions 1017 Y. Yan, M. Lin, Y. Katsumura, Y. Muroya, S. Yamashita, K. Hata, J. Meesungnoen, and J.-P. Jay-Gerin Temperature and density effects on the absorption maximum of solvated electrons in sub- and super-critical methanol 1026 Kavita, P. Joshi, N. Sharma, and Y.C. Joshi Surface-mediated synthesis of organophosphorus-based hydrazides using basic alumina 1034 Ibrahim El-Zoghbi, Aysha Ased, Paul O. Oguadinma, Ekou Tchirioua, and Frank Schaper One-pot synthesis of f- diketimine ligands 1040 Aman Khan, Robert A. Gossage, and Daniel A. Foucher A convenient route to distannanes, oligostannanes, and polystannanes 1046 November / Novembre This Special Issue is dedicated to Professor Russell J. Boyd to honour his outstanding contributions to theoretical and computational chemistry. / Numéro spécial en hommage au professeur Russell J. Boyd pour souligner sa contribution exceptionnelle au domaine de la chimie théorique et numérique. ARTICLES / ARTICLES K.U. Ingold and Gino A. DiLabio Is the oxygen “side-on”, or “end-on” and fluctional, in peroxyl radicals with magnetically equivalent oxygen atoms? Axel D. Becke, Alya A. Arabi, and Felix O. Kannemann Nonempirical density-functional theory for van der Waals interactions Hong Tang, Douglas C. MacLaren, and Mary Anne White New insights concerning the mechanism of reversible thermochromic mixtures René Fournier Density-functional and global optimization study of copper—tin core-shell clusters Nozomi Takagi, Andreas Krapp, and Gernot Frenking On the nature of homo- and hetero-dinuclear metal-metal quadruple bonds — Analysis of the bonding situation and benchmarking DFT against wave function methods Michael B. Burt, Angela K. Crane, Ning Su, Nicole Rice, and Raymond A. Poirier Ring-chain equilibria of R-but-3-enoate esters — A quantum mechanical study of direct and indirect ring-closing reactions Glenn I. Hawe and Paul L.A. Popelier A water potential based on multipole moments trained by machine learning — Reducing maximum energy errors William C. Everett, Bert E. Holmes, and George L. Heard A computational study of the threshold energies of the 1,2-FCI interchange reaction of chlorofluoroethanes Published by NRC Research Press