Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study

Journal of Chemical Thermodynamics

Volumn 73, Issue , 2014, Pages 121-129

  Gomes, José R B ^a   Jorge, Miguel ^b   Gomes, Paula ^c  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^c UNIVERSITY OF PORTO   (Portugal)

Author keywords

Bond dissociation enthalpy; Enthalpy of interaction; Gas phase acidity; Metal complex; Thermochemistry

Indexed keywords

CHEMICAL BONDS; GLUCOSAMINE; METAL COMPLEXES; METAL IONS; MOLECULES; NICKEL; POSITIVE IONS; THERMOCHEMISTRY;

BOND DISSOCIATION ENTHALPIES; COMPUTATIONAL STUDIES; DIVALENT CATION; GAS-PHASE ACIDITIES; LATE TRANSITION METALS; MONOVALENT CATIONS; N-ACETYLGLUCOSAMINE; STABLE COMPLEXES;

CHITOSAN;

EID: 84901200421     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2013.11.016     Document Type: Article

References (22)

1. B. Sarmento, and J. das Neves Chitosan-Based Systems for Biopharmaceuticals: Delivery, Targeting and Polymer Therapeutics 2012 John Wiley & Sons Ltd Chichester, United Kingdom
2. A.J. Varma, S.V. Deshpande, and J.F. Kennedy Carbohydr. Polym. 55 2004 88
3. P. Gomes, C.A.R. Gomes, M.K.S. Batista, L.F. Pinto, and P.A.P. Silva Carbohydr. Polym. 71 2008 54
4. Y.A. Skorik, N.V. Podberezskaya, G.V. Romanenko, E.V. Osintseva, L.K. Neudachina, and A.A. Vshivkov Russ. J. Inorg. Chem. 48 2003 199
5. Z. Aiping, L. Jianhong, and Y. Wenhui Carbohydr. Polym. 63 2006 89
6. P. Agrawal, G.J. Strijkers, and K. Nicolay Adv. Drug Delivery Rev. 62 2010 42
7. K. Ogawa, and K. Oka Chem. Mater. 5 1993 726
8. A. Domard Int. J. Biol. Macromol. 9 1986 98
9. S. Schlick Macromolecules 19 1985 192
10. M. Rhazi, J. Desbrières, A. Tolaimate, M. Rinaudo, P. Vottero, and A. Alagui Polymer 43 2002 1267
11. R.B. Hernández, O.R. Yola, and A.L.R. Mercê J. Braz. Chem. Soc. 18 2007 1388
12. C. van der Linde, S. Hemmann, R.F. Höckendorf, O.P. Balaj, and M.K. Beyer J. Phys. Chem. A 117 2013 1011
13. N.C. Braier, and R.A. Jishi J. Mol. Struct. THEOCHEM 499 2000 51
14. R. Lü, Z. Gao, and G. Shen J. Mol. Struct. THEOCHEM 860 2008 80
15. R. Terreux, M. Domard, C. Viton, and A. Domard Biomacromolecules 7 2006 31
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R. L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09 Rev. B.01, Gaussian Inc, Wallingford CT, 2009.
17. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
18. C.T. Lee, W.T. Yang, and R.G. Parr Phys. Rev. B 37 1988 785 789
19. Y.R. Luo Comprehensive Handbook of Chemical Bond Energies 2007 CRC Press, Taylor & Francis Group Boca Raton
20. J.R.B. Gomes J. Phys. Chem. A 113 2009 1628 1634
21. J.E. Bartmess, Negative ion energetics data in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, in: P.J. Linstrom, W.G. Mallard (Eds.), National Institute of Standards and Technology, Gaithersburg MD, 20899, http://webbook.nist.gov, (retrieved November 6, 2013).
22. M. Rinaudo Progr. Polym. Sci. 31 2006 603 Enfermedades Raras Enfermedades Raras