Computational and experimental study of the effect of PEG in the preparation of damascenone-imprinted xerogels

Langmuir

Volumn 29, Issue 6, 2013, Pages 2024-2032

  Azenha, Manuel ^a   Szefczyk, Borys ^b   Loureiro, Dianne ^a   Kathirvel, Porkodi ^a   D S Cordeiro, M Natália ^a   Fernando Silva, António ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL STUDIES; IMPRINTING EFFECTS; IMPRINTING EFFICIENCY; MACRO-POROSITY; MOLECULARLY IMPRINTED; NETWORK STRUCTURING; ORGANIC FUNCTIONAL GROUPS; POLYETHYLENE GLYCOL (PEG); PROMOTING EFFECT; SILICA NETWORKS; SMALL MOLECULES; SOLVENT LOSS; SURFACE AREA;

FUNCTIONAL GROUPS; MIXTURES; MOLECULES; POLYETHYLENE GLYCOLS; SILICA; SILICON; SOL-GELS;

XEROGELS;

EID: 84873683044     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la304706t     Document Type: Article

References (35)

1. Collinson, M. Sol-gel strategies for the preparation of selective materials for chemical analysis Crit. Rev. Anal. Chem. 1999, 29, 289-311
2. Raman, N.; Anderson, M.; Brinker, C. Template-based approaches to the preparation of amorphous, nanoporous silicas Chem. Mater. 1996, 8, 1682-1701
3. Komiyama, M.; Takeuchi, T.; Mukawa, T.; Asanuma, H. Molecular Imprinting: From Fundamentals to Applications; Wiley: Weinheim, Germany, 2003.
4. Sellergren, B. Molecularly Imprinted Polymers. Man Made Mimics of Antibodies and Their Applications in Analytical Chemistry; Elsevier Science B.V.: Amsterdam, 2001.
5. Zhang, H.; Ye, L.; Mosbach, K. Non-covalent molecular imprinting with emphasis on its application in separation and drug development J. Mol. Recognit. 2006, 19, 248-259
6. Sellergren, B. Imprinted chiral stationary phases in high-performance liquid chromatography J. Chromatogr., A 2001, 906, 227-252
7. Díaz-García, M.; Laíno, R. Molecular imprinting in sol-gel materials: Recent developments and applications Microchim. Acta 2005, 149, 19-36
8. Hunnius, M.; Rufińska, A.; Maier, W. Selective surface adsorption versus imprinting in amorphous microporous silicas Microporous Mesoporous Mater. 1999, 29, 389-403
9. Bass, J.; Katz, A. Thermolytic synthesis of imprinted amines in bulk silica Chem. Mater. 2003, 15, 2757-2763
10. Schmidt, R.; Belmont, A.; Haupt, K. Porogen formulations for obtaining molecularly imprinted polymers with optimized binding properties Anal. Chim. Acta 2005, 542, 118-124
11. Matsui, J.; Goji, S.; Murashima, T.; Miyoshi, D.; Komai, S.; Shigeyasu, A.; Kushida, T.; Miyazawa, T.; Yamada, T.; Tamaki, K.; Sugimoto, N. Molecular imprinting under molecular crowding conditions: An aid to the synthesis of a high-capacity polymeric sorbent for triazine herbicides Anal. Chem. 2007, 79, 1749-1757
12. Minton, A. The influence of macromolecular crowding and macromolecular confinement on biochemical reactions in physiological media J. Biol. Chem. 2001, 276, 10577-10580
13. Lofgreen, J.; Moudrakovski, I.; Ozin, G. Molecularly imprinted mesoporous organosilica ACS Nano 2011, 5, 2277-2287
14. Xi, F.; Wu, J. Preparation of macroporous chitosan layer coated on silica gel and its application to affinity chromatography for trypsin inhibitor purification React. Funct. Polym. 2006, 66, 682-688
15. Carrasquilla, C.; Li, Y.; Brennan, J. Surface immobilization of structure-switching DNA aptamers on macroporous sol-gel-derived films for solid-phase biosensing applications Anal. Chem. 2011, 83, 957-965
16. Azenha, M.; Szefczyk, B.; Loureiro, D.; Kathirvel, P.; Cordeiro, M.; Silva, A. Molecular dynamics simulations of pregelification mixtures for the production of imprinted xerogels Langmuir 2011, 27, 5062-5070
17. Azenha, M.; Kathirvel, P.; Nogueira, P.; Fernando-Silva, A. The requisite level of theory for the computational design of molecularly imprinted silica xerogels Biosens. Bioelectron. 2008, 23, 1843-1849
18. Van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. GROMACS: Fast, flexible, and free J. Comput. Chem. 2005, 26, 1701-1718
19. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79, 926-935
20. Breneman, C.; Wiberg, K. Determining atom-centered monopoles from molecular electrostatic potentials-the need for high sampling density in formamide conformational-analysis J. Comput. Chem. 1990, 11, 361-373
21. Schmidt, M.; Baldridge, K.; Boatz, J.; Elbert, S.; Gordon, M.; Jensen, J.; Koseki, S.; Matsunaga, N.; Nguyen, K.; Su, S.; Windus, T.; Dupuis, M.; Montgomery, J. General atomic and molecular electronic-structure system J. Comput. Chem. 1993, 14, 1347-1363
22. Pereira, J.; Catlow, C.; Price, G. Molecular dynamics simulation of methanolic and ethanolic silica-based sol-gel solutions at ambient temperature and pressure J. Phys. Chem. A 2002, 106, 130-148
23. Hockney, R.; Goel, S.; Eastwood, J. Quite high-resolution computer models of a plasma J. Comput. Phys. 1974, 14, 148-158
24. Bussi, G.; Donadio, D.; Parrinello, M. Canonical sampling through velocity rescaling J. Chem. Phys. 2007, 126, 014101
25. Parrinello, M.; Rahman, A. Polymorphic transitions in single-crystals: A new molecular-dynamics method J. Appl. Phys. 1981, 52, 7182-7190
26. Nosé, S.; Klein, M. L. Constant pressure molecular-dynamics for molecular-systems Mol. Phys. 1983, 50, 1055-1076
27. Jorgensen, W. L.; Maxwell, D. S.; TiradoRives, J. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
28. Darden, T.; York, D.; Pedersen, L. Particle mesh ewald: An N.log(N) method for ewald sums in large systems J. Chem. Phys. 1993, 98, 10089-10092
29. Humphrey, W.; Dalke, A.; Schulten, K. VMD: Visual molecular dynamics J. Mol. Graphics 1996, 14, 33-38
30. Dhondge, S.; Pandhurnekar, C.; Ramesh, L. Thermodynamic studies of some non-electrolytes in aqueous solutions at low temperatures J. Chem. Thermodyn. 2008, 40, 1-15
31. Lee, H.; Venable, R.; MacKerell, A., Jr.; Pastor, R. Molecular dynamics studies of polyethylene oxide and polyethylene glycol: Hydrodynamic radius and shape anisotropy Biophys. J. 2008, 95, 1590-1599
32. 2 sol to gel evolution and gel aging J. Non-Cryst. Solids 1995, 180, 191-196
33. 2 mixed oxides prepared via the sol-gel process: Characterization by spectroscopic techniques J. Non-Cryst. Solids 1992, 143, 93-111
34. Wallace, S.; West, J.; Hench, L. Interactions of Water with Trisiloxane Rings 0.1. Experimental-analysis J. Non-Cryst. Solids 1993, 152, 101-108
35. Yang, C.; SmaÌŠtt, J.; Zibrowius, B.; Lindén, M. Chemical removal of organic polymers from highly porous sol-gel-derived silica monoliths New J. Chem. 2004, 28, 1520-1525