Computer-aided solvent screening for biocatalysis

Journal of Molecular Catalysis B: Enzymatic

Volumn 85-86, Issue , 2013, Pages 200-213

  Abildskov, J ^a   Van Leeuwen, M B ^b   Boeriu, C G ^b   Van Den Broek, L A M ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

Activity coefficients; Inulin; Lipases; Screening; Solvents

Indexed keywords

ACRYLIC ACIDS; BIOCATALYSIS; CHEMICAL REACTION EQUILIBRIUM; GROUP CONTRIBUTION METHOD; INULIN; LAURATE; LIPASE-CATALYZED; WATER SOLUBILITIES;

ACTIVITY COEFFICIENTS; CARBOXYLIC ACIDS; LIPASES; POLYSACCHARIDES; SCREENING; SOLUBILITY;

SOLVENTS;

ACRYLIC ACID; INULIN; LAURIC ACID; OCTANOL; SOLVENT; TRIACYLGLYCEROL LIPASE; VINYL DERIVATIVE;

ARTICLE; BIOCATALYST; CALCULATION; CHEMICAL REACTION; COMPUTER AIDED DESIGN; HUMAN; METHODOLOGY; SOLUBILITY; TRANSESTERIFICATION;

EID: 84867237256     PISSN: 13811177     EISSN: 18733158     Source Type: Journal    
DOI: 10.1016/j.molcatb.2012.09.012     Document Type: Article

References (88)

1. A.M. Klibanov Biotechnol. Bioeng. 19 1977 1351 1361
2. A.M. Klibanov Trends Biochem. Sci. 14 1989 141
3. A.M. Klibanov Acc. Chem. Res. 23 1990 114
4. J.A. Akkara, M.S.R. Ayyagari, and F.F. Bruno Trends Biotechnol. 17 1999 67 73
5. M. Perez, J.V. Sinisterra, and M.J. Hernaiz Curr. Org. Chem. 20 2011 2366 2383
6. S.W. Chang, and J.F. Shaw New Biotechnol. 26 2009 109 116
7. B.G. Davis, and V. Borer Nat. Prod. Rep. 18 6 2001 618 640
8. F. Bordusa Chem. Rev. 102 2002 4817 4867
9. C.R. Wescott, and A.M. Klibanov Biochim. Biophys. Acta 1206 1994 1 9
10. P.J. Halling Enzyme Microb. Technol. 16 1994 178 206
11. C. Laane, S. Boeren, K. Vos, and C. Veeger Biotechnol. Bioeng. 30 1987 81 87
12. F.J. Plou, M.A. Cruces, M. Ferrer, G. Fuentes, E. Pastor, M. Bernabe, M. Christensen, F. Comelles, J.L. Parra, and A. Ballesteros J. Biotechnol. 96 2002 55 66
13. C.R. Wescott, and A.M. Klibanov J. Am. Chem. Soc. 115 1993 10362 10363
14. T. Ke, C.R. Wescott, and A.M. Klibanov J. Am. Chem. Soc. 118 1996 3366 3374
15. P.J. Halling Biotechnol. Bioeng. 35 1990 691 701
16. B. Zeuner, G.M. Kontogeorgis, A. Riisager, and A.S. Meyer New Biotechnol. 29 2012 255 270
17. M.L. Damstrup, J. Abildskov, S. Kiil, A.D. Jensen, F.V. Sparso, and X. Xu J. Agric. Food Chem. 54 2006 7113 7119
18. G. Carrea, and S. Riva Angew. Chem. Int. Ed. 39 2000 2226 2254
19. U.T. Bornscheuer, and R.J. Kazlauskas Hydrolases in Organic Synthesis, Regio- and Stereoselective Biotransformations 2nd ed. 2006 Wiley-VCH Weinheim
20. T.H. Rod, and U. Ryde Phys. Rev. Lett. 94 2005 138302-1 138302-4
21. K.C. Satyanarayana, R. Gani, and J. Abildskov Comput. Chem. Eng. 33 2009 1004
22. K.C. Satyanarayana, R. Gani, and J. Abildskov Fluid Phase Equilibr. 261 2007 58 63
23. K.C. Satyanarayana, J. Abildskov, R. Gani, G. Tsolou, and V.G. Mavrantzas Braz. J. Chem. Eng. 27 2010 369 380
24. R. Vaidyanathan, and M. El-Halwagi Ind. Eng. Chem. Res. 35 1996 627
25. C.D. Maranas Ind. Eng. Chem. Res. 35 1996 3403
26. K.G. Joback, and G. Stephanopoulos Adv. Chem. Eng. 21 1995 257
27. N. Churi, and L.E.K. Achenie Ind. Eng. Chem. Res. 35 1996 3788
28. A.P. Duvedi, and L.E.K. Achenie Chem. Eng. Sci. 51 1996 3727
29. J. Abildskov, and J.P. O'Connell J. Chem. Eng. Data 56 2011 1229 1237
30. I. Kouskoumvekaki, and J. Abildskov Chem. Eng. Res. Des. (Trans. IChemE) 84 2006 652 663
31. R. Gani, B. Nielsen, and A. Fredenslund AIChE J. 37 1991 1318
32. R. Gani, P.A. Gómez, M. Folić, C. Jiménez- González, and D.J.C. Constable Comput. Chem. Eng. 32 2008 2420 2444
33. P.-Y. Kim, D.J. Pollard, and J.M. Woodley Biotechnol. Prog. 23 2007 74 82
34. L. Cao, L. van Langen, and R.A. Sheldon Curr. Opin. Biotechnol. 14 2003 387 394
35. R. Ter Haar, H.A. Schols, L.A.M. Van den Broek, D. Saǧlam, A.E. Frissen, C.G. Boeriu, and H. Gruppen J. Mol. Catal. B: Enzym. 62 2010 183 189
36. L.E.S. Brink, and J. Tramper Biotechnol. Bioeng. 27 1985 1258
37. L.J. Bruce, and A.J. Daugulis Biotechnol. Prog. 7 1991 116
38. T.B. Janikowski, D. Velicogna, M. Punt, and A.J. Daugulis Appl. Microbiol. Biotechnol. 59 2002 368
39. C.T. MacLeod, and A.J. Daugulis Appl. Microbiol. Biotechnol. 62 2003 291
40. G.P. Prpich, and A.J. Daugulis Biotechnol. Bioeng. 97 2007 536
41. W.Y. Wang, and L.E.K. Achenie Fluid Phase Equilibr. 201 2002 1 18
42. N.V. Sahinidis, M. Tawarmalani, and M. Yu AIChE J. 49 7 2003 1761 1775
43. D.K. Eggers, H.W. Blanch, and J.M. Prausnitz Enzyme Microb. Technol. 11 2 1989 84 89
44. R.H. Valivety, G.A. Johnston, C.J. Suckling, and P.J. Halling Biotechnol. Bioeng. 38 10 1991 1137 1143
45. J.M. Woodley, M. Bisschops, A.J.J. Straathof, and M. Ottens J. Chem. Technol. Biotechnol. 83 2008 121 123
46. A. Zaks, and A.M. Klibanov Proc. Natl. Acad. Sci. U.S.A. 82 1985 3192 3196
47. R. Gani, and E.A. Brignole Fluid Phase Equilibr. 13 1983 331
48. E.A. Brignole, S. Bottini, and R. Gani Fluid Phase Equilibr. 29 1986 125
49. J.M. Smith, M.M. Abbott, and H.C. Van Ness Introduction to Chemical Engineering Thermodynamics 4th ed. 1996 McGraw-Hill Singapore
50. H. Stamatis, E.C. Voutsas, C. Delimitsou, F.N. Kolisis, and D. Tassios Biocatal. Biotransform. 18 2000 259 269
51. X.M. Shen, T.W. de Loos, and J. de Swaan Arons Tramper Enzymatic Reaction in Organic Solvents and Supercritical Gases, Biocatalysis in Non-conventional Media vol. 8 1992 417 423
52. L.M.C. Sagis, C.G. Boeriu, G.E. Frissen, H.A. Schols, and P.A. Wierenga Langmuir 24 2008 359 361
53. A. Zaks, and A.M. Klibanov J. Biol. Chem. 263 17 1988 8017 8021
54. D.A. Robb, Z. Yang, and P.J. Halling Biocatal. Biotransform. 9 1 1994 277 283
55. M. Nordblad, and P. Adlercreutz J. Biotechnol. 133 2008 127 133
56. T.M. Martin, and D.M. Young Chem. Res. Toxicol. 14 2001 1378 1385
57. R. Butler, G.M. Cooke, G.G. Lukk, and B.G. Jameson Ind. Eng. Chem. 48 1956 808
58. O. Odele, and S. Macchietto Fluid Phase Equilibr. 82 1993 47 54
59. H.K. Hansen, P. Rasmussen, A. Fredenslund, M. Schiller, and J. Gmehling Ind. Eng. Chem. Res. 30 1991 2352
60. H.V. Kehiaian Fluid Phase Equilibr. 13 1983 243
61. J. Abildskov, R. Gani, P. Rasmussen, and J.P. O'Connell Fluid Phase Equilibr. 158 1999 349
62. H.S. Wu, and S.I. Sandler Ind. Eng. Chem. Res. 30 1991 881
63. H.S. Wu, and S.I. Sandler Ind. Eng. Chem. Res. 30 1991 889
64. R.P. Currier, and J.P. O'Connell Fluid Phase Equilibr. 33 1987 245 265
65. K. Balslev, and J. Abildskov Ind. Eng. Chem. Res. 41 2002 2047
66. R. Wittig, J. Lohmann, and J. Gmehling Ind. Eng. Chem. Res. 42 2003 183
67. L. Constantinou, and R. Gani AIChE J. 40 10 1994 1697
68. P. Adlercreutz Eur. J. Biochem. 199 1991 609
69. N.M. Micaêlo, and C.M. Soares FEBS J. 274 2007 2424 2436
70. R. Wedberg, J. Abildskov, and G.H. Peters J. Phys. Chem. B 116 2012 2575 2585
71. R.V. Ulijn, L. De Martin, L. Gardossi, A.E.M. Janssen, B.D. Moore, and P.J. Halling Biotechnol. Bioeng. 80 5 2002 509 515
72. M.D. Ellegaard, J. Abildskov, and J.P. O'Connell Ind. Eng. Chem. Res. 49 2010 11620 11632
73. C. Blecker, J.-P. Chevalier, C. Fougnies, J.-C. Van Herck, C. Deroann, and M. Paquot J. Therm. Anal. Calorim. 71 2003 215 224
74. C.L.M. Hébette, J.A. Delcour, M.H.J. Koch, K. Booten, R. Kleppinger, N. Mischenkod, and H. Reynaers Carbohydr. Res. 310 1998 65 75
75. J.S. Rowlinson, and F.L. Swinton Liquids and Liquid Mixtures 3rd ed. 1982 Butterworth Scientific London (Chapter 5)
76. M.M. Abbott, M.V. Ariyapadi, N. Balsara, S. Dasgupta, J.S. Furno, P. Futerko, D.P. Gapinski, T.A. Grocela, R.D. Kaminsky, S.G. Karlsruher, E.W. Kiewra, A.S. Narayan, K.K. Nass, J.P. O'Connell, C.J. Parks, D.F. Rogowski, G.S. Roth, M.B. Sarsfield, K.M. Smith, M. Sujanani, J.J. Tee, and N. Tzouvaras Chem. Eng. Educ. Winter 1994 18 24
77. W. Rupp, S. Hetzel, I. Ojini, and D. Tassios Ind. Eng. Chem. Process. Des. Dev. 23 1984 391
78. P.J. Stathis, and D.P. Tassios Ind. Eng. Chem. Process. Des. Dev. 24 1985
79. A. Bondi Physical Properties of Molecular Crystals, Liquids and Glasses 1968 John Wiley & Sons New York
80. U. Weidlich, and J. Gmehling Ind. Eng. Chem. Res. 26 1987 1372 1381
81. J. Gmehling, J. Li, and M. Schiller Ind. Eng. Chem. Res. 32 1993 178 193
82. J. Abildskov, R. Gani, P. Rasmussen, and J.P. O'Connell Fluid Phase Equilibr. 181 2001 163 186
83. S. Christensen, G.H. Peters, F.Y. Hansen, J.P. O'Connell, and J. Abildskov Mol. Simul. 33 2007 449 457
84. S. Christensen, G.H. Peters, F.Y. Hansen, J.P. O'Connell, and J. Abildskov Fluid Phase Equilibr. 260 2007 169 176
85. S. Christensen, G.H. Peters, F.Y. Hansen, and J. Abildskov Fluid Phase Equilibr. 261 2007 185 190
86. A. Jakob, H. Grensemann, J. Lohmann, and J. Gmehling Ind. Eng. Chem. Res. 45 2006 7924 7933
87. H.E. Gonzalez, B. Le Bert, J. Abildskov, and R. Gani AIChE J. 53 2007 1620 1632
88. H.E. Gonzalez, J. Abildskov, and R. Gani Fluid Phase Equilibr. 261 2007 199 204