Computational screening of homochiral metal-organic frameworks for enantioselective adsorption

Microporous and Mesoporous Materials

Volumn 157, Issue , 2012, Pages 118-123

  Bao, Xiaoying ^a   Broadbelt, Linda J ^a   Snurr, Randall Q ^a  

^a Northwestern University   (United States)

Author keywords

Adsorption; Chiral separations; Enantioselective separation; Metal organic frameworks; Molecular simulation

Indexed keywords

CHIRAL COMPOUNDS; CHIRAL SEPARATIONS; ENANTIOSELECTIVE ADSORPTION; ENANTIOSELECTIVE SEPARATION; EXPERIMENTAL DATA; FOUR-POINT; HIGH ENANTIOSELECTIVITY; HOMOCHIRAL METAL-ORGANIC FRAMEWORKS; METAL ORGANIC FRAMEWORK; MOLECULAR SIMULATIONS; SIMULATION MODEL; SORBATE MOLECULES;

ADSORPTION; CHIRALITY; COMPUTER SIMULATION; MOLECULES; SEPARATION; STEREOCHEMISTRY;

ENANTIOSELECTIVITY;

EID: 84861196985     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2011.08.008     Document Type: Article

References (63)

1. J.E. Rekoske AIChE Journal 47 2001 2
2. L.F. He, T.E. Beesley, and J. Liq Chromatography and Related Technologies 28 2005 1075
3. Y. Liu, A.W. Lantz, D.W. Armstrong, and J. Liq Chromatography and Related Technologies 27 2004 1121
4. R. Thompson, and J. Liq Chromatography and Related Technologies 28 2005 1215
5. V. Schurig Journal of Chromatography. A 906 2001 275
6. A. Rajendran, G. Paredes, and M. Mazzotti Journal of Chromatography. A 1216 2009 709
7. S. Ahuja Chiral Separations by Chromatography 2000 Oxford University Press New York
8. K.B. Lipkowitz Accounts of Chemical Research 33 2000 555
9. J.A. Johnson, and R.G. Kabza G. Ganetsos, P.E. Barker, Preparative and Production Scale Chromatography 1993 Marcel Dekker New York
10. B. McCulloch, P.K. Nickl, T.A. Brandvold, US patent 5889180.
11. D. Tanaka, and S. Kitagawa Chemistry of Materials 20 2008 922
12. M. Eddaoudi, D.B. Moler, H.L. Li, B.L. Chen, T.M. Reineke, M. O'Keeffe, and O.M. Yaghi Accounts of Chemical Research 34 2001 319
13. S. Kitagawa, R. Kitaura, and S. Noro Angewandte Chemie International Edition 43 2004 2334
14. J.L.C. Rowsell, and O.M. Yaghi Microporous and Mesoporous Materials 73 2004 3
15. D. Maspoch, D. Ruiz-Molina, and J. Veciana Chemical Society Reviews 36 2007 770
16. G. Ferey Chemical Society Reviews 37 2008 191
17. D. Bradshaw, J.B. Claridge, E.J. Cussen, T.J. Prior, and M.J. Rosseinsky Accounts of Chemical Research 38 2005 273
18. B. Kesanli, and W.B. Lin Coordination Chemistry Reviews 246 2003 305
19. S. Lee, A.B. Mallik, Z.T. Xu, E.B. Lobkovsky, and L. Tran Accounts of Chemical Research 38 2005 251
20. W.B. Lin MRS Bulletin 32 2007 544
21. R.Q. Snurr, J.T. Hupp, and S.T. Nguyen AIChE Journal 50 2004 1090
22. A.L. Nuzhdin, D.N. Dybtsev, K.P. Bryliakov, E.P. Talsi, and V.P. Fedin Journal of the American Chemical Society 129 2007 12958
23. C.D. Wu, and W.B. Lin Chemical Communications 2005 3673
24. D.N. Dybtsev, A.L. Nuzhdin, H. Chun, K.P. Bryliakov, E.P. Talsi, V.P. Fedin, and K. Kim Angewandte Chemie International Edition 45 2006 916
25. D. Bradshaw, T.J. Prior, E.J. Cussen, J.B. Claridge, and M.J. Rosseinsky Journal of the American Chemical Society 126 2004 6106
26. R. Vaidhyanathan, D. Bradshaw, J.N. Rebilly, J.P. Barrio, J.A. Gould, N.G. Berry, and M.J. Rosseinsky Angewandte Chemie International Edition 45 2006 6495
27. D.S. Sholl, A. Asthagiri, and T.D. Power Journal of Physical Chemistry B 105 2001 4771
28. D.S. Sholl, and A.J. Gellman AIChE Journal 55 2009 2484
29. S. Keskin, J. Liu, R.B. Rankin, J.K. Johnson, and D.S. Sholl Industrial & Engineering Chemistry Research 48 2009 2355
30. T. Düren, Y.S. Bae, and R.Q. Snurr Chemical Society Reviews 38 2009 1237
31. R.Q. Snurr, A.O. Yazaydin, D. Dubbeldam, and H. Frost L.R. MacGillivray, Metal-Organic Frameworks: Design and Application 2010 Wiley-VCH Hoboken, NJ 313 339
32. S. Duane, A.D. Kennedy, B.J. Pendleton, and D. Roweth Physics Letters B 195 1987 216
33. D. Frenkel, and B. Smit Understanding Molecular Simulation: from Algorithm to Applications 1996 Academic Press San Diego
34. T.D. Power, A.I. Skoulidas, and D.S. Sholl Journal of the American Chemical Society 124 2002 1858
35. A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard, and W.M. Skiff Journal of the American Chemical Society 114 1992 10024
36. W.L. Jorgensen Journal of Physical Chemistry 90 1986 1276
37. W.L. Jorgensen, D.S. Maxwell, and J. TiradoRives Journal of the American Chemical Society 118 1996 11225
38. C.M. Breneman, and K.B. Wiberg Journal of Computational Chemistry 11 1990 361
39. J.P. Perdew, K. Burke, and M. Ernzerhof Physical Review Letters 77 1996 3865
40. L.D. Gelb, and K.E. Gubbins Langmuir 15 1999 305
41. K.B. Lipkowitz, R. Coner, M.A. Peterson, A. Morreale, and J. Shackelford Journal of Organic Chemistry 63 1998 732
42. G.Z. Yuan, C.F. Zhu, W.M. Xuan, and Y. Cui Chemistry A European Journal 15 2009 6428
43. Z. Juvancz, and J. Szejtli TRAC Trends in Analytical Chemistry 21 2002 379
44. L.A. Clark, S. Chempath, and R.Q. Snurr Langmuir 21 2005 2267
45. E. Calleri, G. Massolini, F. Loiodice, G. Fracchiolla, C. Temporini, G. Felix, P. Tortorella, and G. Caccialanza Journal of Chromatography. A 958 2002 131
46. M. Rekharsky, and Y. Inoue Journal of the American Chemical Society 122 2000 4418
47. M.V. Rekharsky, and Y. Inoue Journal of the American Chemical Society 124 2002 813
48. X.Y. Bao, L.J. Broadbelt, and R.Q. Snurr Physical Chemistry Chemical Physics 12 2010 6466
49. W.H. Pirkle Chirality 9 1997 103
50. P.E. Wilcox, C. Heidelberger, and R. Van Potter Journal of the American Chemical Society 72 1950 5019
51. S. Topiol, and M. Sabio Journal of the American Chemical Society 111 1989 4109
52. R. Bentley Archives of Biochemistry and Biophysics 414 2003 1
53. A.D. Mesecar, and D.E. Koshland Nature 403 2000 614
54. T.D. Booth, D. Wahnon, and I.W. Wainer Chirality 9 1997 96
55. V.A. Davankov Chirality 9 1997 99
56. L.M. Easson, and E. Steadman Biochemical Journal 27 1933 1257
57. W.H. Pirkle, and T. Pochapsky Journal of the American Chemical Society 108 1986 5627
58. R.S. Cahn, C. Ingold, and V. Prelog Angewandte Chemie International Edition 5 1966 385
59. R.G. Xiong, X.Z. You, B.F. Abrahams, Z.L. Xue, and C.M. Che Angewandte Chemie International Edition 40 2001 4422
60. B.F. Abrahams, M. Moylan, S.D. Orchard, and R. Robson Angewandte Chemie International Edition 42 2003 1848
61. J. Zhang, S.M. Chen, T. Wu, P.Y. Feng, and X.H. Bu Journal of the American Chemical Society 130 2008 12882
62. C.D. Wu, and W.B. Lin Angewandte Chemie International Edition 46 2007 1075
63. Y. Cui, H.L. Ngo, P.S. White, and W.B. Lin Chemical Communications 2003 994