-
1
-
-
77950818230
-
-
Guidance Document; U.S. Food and Drug Administration: Silver Spring, MD, January 5, 1992.
-
Development of New Stereoisomeric Drugs; Guidance Document; U.S. Food and Drug Administration: Silver Spring, MD, January 5, 1992; http://www.fda.gov/ Drugs/GuidanceComplianceRegulatoryInformation/Guidances/ucm122883.htm.
-
Development of New Stereoisomeric Drugs
-
-
-
4
-
-
0004139082
-
-
Krieger Publishing Company: Malabar, FL.
-
Jacques, J.; Collet, A.; Wilen, S. H. Enantiomers, Racemates and Resolutions; Krieger Publishing Company: Malabar, FL, 1994.
-
(1994)
Enantiomers, Racemates and Resolutions
-
-
Jacques, J.1
Collet, A.2
Wilen, S.H.3
-
5
-
-
33646859231
-
-
Lorenz, H.; Perlberg, A.; Sapoundjiev, D.; Elsner, M. P.; Seidel-Morgenstern, A. Chem. Eng. Process. 2006, 45, 863-873
-
(2006)
Chem. Eng. Process.
, vol.45
, pp. 863-873
-
-
Lorenz, H.1
Perlberg, A.2
Sapoundjiev, D.3
Elsner, M.P.4
Seidel-Morgenstern, A.5
-
6
-
-
84890645193
-
-
In;, Ed.; Wiley-VCH: Weinheim,; pp ' 348.
-
Coquerel, G.; Amabilino, D. B. In Chirality at the Nanoscale; Amabilino, D. B., Ed.; Wiley-VCH: Weinheim, 2009; pp 305 ' 348.
-
(2009)
Chirality at the Nanoscale
, pp. 305
-
-
Coquerel, G.1
Amabilino, D.B.2
Amabilino, D.B.3
-
7
-
-
63849262240
-
-
In;;;, Eds.; Springer-Verlag: Berlin,; pp ' 51.
-
Coquerel, G. In Novel Optical Resolution Technologies; Sakai, K.; Hirayama, N.; Tamura, R., Eds.; Springer-Verlag: Berlin, 2007; pp 1 ' 51.
-
(2007)
Novel Optical Resolution Technologies
, pp. 1
-
-
Coquerel, G.1
Sakai, K.2
Hirayama, N.3
Tamura, R.4
-
8
-
-
0000602940
-
-
Brock, C. P.; Schweizer, W. B.; Dunitz, J. D. J. Am. Chem. Soc. 1991, 113, 9811-9820
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 9811-9820
-
-
Brock, C.P.1
Schweizer, W.B.2
Dunitz, J.D.3
-
12
-
-
3042724773
-
-
Avalos, M.; Babiano, R.; Cintas, P.; Jimenez, J. L.; Palacios, J. C. Origins Life Evol. Biosphere 2004, 34, 391-405
-
(2004)
Origins Life Evol. Biosphere
, vol.34
, pp. 391-405
-
-
Avalos, M.1
Babiano, R.2
Cintas, P.3
Jimenez, J.L.4
Palacios, J.C.5
-
14
-
-
0029991201
-
-
Kinbara, K.; Hashimoto, Y.; Sukegawa, M.; Nohira, H.; Saigo, K. J. Am. Chem. Soc. 1996, 118, 3441-3449
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3441-3449
-
-
Kinbara, K.1
Hashimoto, Y.2
Sukegawa, M.3
Nohira, H.4
Saigo, K.5
-
15
-
-
0001393796
-
-
Jacques, J.; Leclercq, M.; Brienne, M. J. Tetrahedron 1981, 37, 1727-1733
-
(1981)
Tetrahedron
, vol.37
, pp. 1727-1733
-
-
Jacques, J.1
Leclercq, M.2
Brienne, M.J.3
-
18
-
-
0007621236
-
-
Filippini, G.; Gavezzotti, A. Acta Crystallogr., Sect. B 1992, 48, 230-234
-
(1992)
Acta Crystallogr., Sect. B
, vol.48
, pp. 230-234
-
-
Filippini, G.1
Gavezzotti, A.2
-
21
-
-
38749097409
-
-
Eppel, S.; Bernstein, J. Acta Crystallogr., Sect. B 2008, 64, 50-56
-
(2008)
Acta Crystallogr., Sect. B
, vol.64
, pp. 50-56
-
-
Eppel, S.1
Bernstein, J.2
-
22
-
-
62949090566
-
-
Day, G. M.; Cooper, T. G.; Cruz Cabeza, A. J.; Hejczyk, K. E.; Ammon, H. L.; Boerrigter, S. X. M.; Tan, J.; Della Valle, R. G.; Venuti, E.; Jose, J.; Gadre, S. R.; Desiraju, G. R.; Thakur, T. S.; van Eijck, B. P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Neumann, M.; Leusen, F. J. J.; Kendrick, J.; Price, S. L.; Misquitta, A. J.; Karamertzanis, P. G.; Welch, G. W. A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; van de Streek, J.; Wolf, A.; Schweizer, B. Acta Crystallogr., Sect. B 2009, 65, 107-125
-
(2009)
Acta Crystallogr., Sect. B
, vol.65
, pp. 107-125
-
-
Day, G.M.1
Cooper, T.G.2
Cruz Cabeza, A.J.3
Hejczyk, K.E.4
Ammon, H.L.5
Boerrigter, S.X.M.6
Tan, J.7
Della Valle, R.G.8
Venuti, E.9
Jose, J.10
Gadre, S.R.11
Desiraju, G.R.12
Thakur, T.S.13
Van Eijck, B.P.14
Facelli, J.C.15
Bazterra, V.E.16
Ferraro, M.B.17
Hofmann, D.W.M.18
Neumann, M.19
Leusen, F.J.J.20
Kendrick, J.21
Price, S.L.22
Misquitta, A.J.23
Karamertzanis, P.G.24
Welch, G.W.A.25
Scheraga, H.A.26
Arnautova, Y.A.27
Schmidt, M.U.28
Van De Streek, J.29
Wolf, A.30
Schweizer, B.31
more..
-
23
-
-
0033046564
-
-
Li, Z. J.; Zell, M. T.; Munson, E. J.; Grant, D. J. W. J. Pharm. Sci. 1999, 88, 337-346
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 337-346
-
-
Li, Z.J.1
Zell, M.T.2
Munson, E.J.3
Grant, D.J.W.4
-
24
-
-
77950815281
-
-
Note that this argument relies on the entropy of macroscopic mixing of homochiral crystals of opposite enantiomers in the conglomerate mixture being negligible and the racemic crystal having zero entropy at 0 K (as all ordered crystals); that is, there is no configurational (residual) entropy contribution because of the presence of two enantiomers in the unit cell. The term RT ln 2 appears, and rightly so, in all thermodynamic cycles (4, 7, 23) to compute the free energy of racemic formation (1) from the heat of fusion of the pure enantiomer, the heat of fusion of the racemic mixture, and the corresponding melting points. This is because the pure enantiomer is in equilibrium with the enantiopure (and not the racemic) liquid.
-
Note that this argument relies on the entropy of macroscopic mixing of homochiral crystals of opposite enantiomers in the conglomerate mixture being negligible and the racemic crystal having zero entropy at 0 K (as all ordered crystals); that is, there is no configurational (residual) entropy contribution because of the presence of two enantiomers in the unit cell. The term RT ln 2 appears, and rightly so, in all thermodynamic cycles (4, 7, 23) to compute the free energy of racemic formation (1) from the heat of fusion of the pure enantiomer, the heat of fusion of the racemic mixture, and the corresponding melting points. This is because the pure enantiomer is in equilibrium with the enantiopure (and not the racemic) liquid.
-
-
-
-
26
-
-
0034758972
-
-
Li, Z. J.; Ojala, W. H.; Grant, D. J. W. J. Pharm. Sci. 2001, 90, 1523-1539
-
(2001)
J. Pharm. Sci.
, vol.90
, pp. 1523-1539
-
-
Li, Z.J.1
Ojala, W.H.2
Grant, D.J.W.3
-
29
-
-
33846534641
-
-
Gourlay, M. D.; Kendrick, J.; Leusen, F. J. J. Cryst. Growth Des. 2007, 7, 56-63
-
(2007)
Cryst. Growth Des.
, vol.7
, pp. 56-63
-
-
Gourlay, M.D.1
Kendrick, J.2
Leusen, F.J.J.3
-
30
-
-
61549100913
-
-
Gourlay, M. D.; Kendrick, J.; Leusen, F. J. J. Cryst. Growth Des. 2008, 8, 2899-2905
-
(2008)
Cryst. Growth Des.
, vol.8
, pp. 2899-2905
-
-
Gourlay, M.D.1
Kendrick, J.2
Leusen, F.J.J.3
-
31
-
-
70350743730
-
-
Kendrick, J.; Gourlay, M. D.; Neumann, M. A.; Leusen, F. J. J. CrystEngComm 2009, 2391-2399
-
(2009)
CrystEngComm
, pp. 2391-2399
-
-
Kendrick, J.1
Gourlay, M.D.2
Neumann, M.A.3
Leusen, F.J.J.4
-
33
-
-
0039686531
-
-
Karle, I. L.; Ottenhey, H. C.; Witkop, B. J. Am. Chem. Soc. 1974, 96, 539-543
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 539-543
-
-
Karle, I.L.1
Ottenhey, H.C.2
Witkop, B.3
-
34
-
-
0034877544
-
-
Kostyanovsky, R. G.; Lyssenko, K. A.; Kravchenko, A. N.; Lebedev, O. V.; Kadorkina, G. K.; Kostyanovsky, V. R. Mendeleev Commun. 2001, 11, 134-136
-
(2001)
Mendeleev Commun.
, vol.11
, pp. 134-136
-
-
Kostyanovsky, R.G.1
Lyssenko, K.A.2
Kravchenko, A.N.3
Lebedev, O.V.4
Kadorkina, G.K.5
Kostyanovsky, V.R.6
-
35
-
-
77950848082
-
-
GAUSSIAN 98, version A6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;; Gaussian Inc.: Pittsburgh.
-
GAUSSIAN 98, version A6; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Chesseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayalla, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian Inc.: Pittsburgh, 1998.
-
(1998)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Chesseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayalla, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
39
-
-
19944400156
-
-
Day, G. M.; Motherwell, W. D. S.; Jones, W. Cryst. Growth Des. 2005, 5, 1023-1033
-
(2005)
Cryst. Growth Des.
, vol.5
, pp. 1023-1033
-
-
Day, G.M.1
Motherwell, W.D.S.2
Jones, W.3
-
42
-
-
0343815838
-
-
Coombes, D. S.; Price, S. L.; Willock, D. J.; Leslie, M. J. Phys. Chem. 1996, 100, 7352-7360
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7352-7360
-
-
Coombes, D.S.1
Price, S.L.2
Willock, D.J.3
Leslie, M.4
-
43
-
-
84912123059
-
-
Holden, J. R.; Du, Z. Y.; Ammon, H. L. J. Comput. Chem. 1993, 14, 422-437
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 422-437
-
-
Holden, J.R.1
Du, Z.Y.2
Ammon, H.L.3
-
44
-
-
84986513706
-
-
Willock, D. J.; Price, S. L.; Leslie, M.; Catlow, C. R. A. J. Comput. Chem. 1995, 16, 628-647
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 628-647
-
-
Willock, D.J.1
Price, S.L.2
Leslie, M.3
Catlow, C.R.A.4
-
45
-
-
77950805566
-
-
version 1.05, is a substantial revision of DMAREL
-
Welch, G. W. A.; Karamertzanis, P. G.; Price, S. L.; Leslie, M. DMACRYS, version 1.05, is a substantial revision of DMAREL; 2010; http://www.chem.ucl.ac. uk/cposs/dmacrys/
-
(2010)
DMACRYS
-
-
Welch, G.W.A.1
Karamertzanis, P.G.2
Price, S.L.3
Leslie, M.4
-
46
-
-
77950831661
-
-
In;;, Eds.; WILEY-VCH: New York,; in press.
-
Kazantsev, A. V.; Karamertzanis, P. G.; Adjiman, C. S.; Pantelides, C. C. In Process Systems Engineering; Adjiman, C.; Galindo, A., Eds.; WILEY-VCH: New York, 2009; in press.
-
(2009)
Process Systems Engineering
-
-
Kazantsev, A.V.1
Karamertzanis, P.G.2
Adjiman, C.S.3
Pantelides, C.C.4
Adjiman, C.5
Galindo, A.6
-
48
-
-
0038285220
-
-
Anghel, A. T.; Day, G. M.; Price, S. L. CrystEngComm 2002, 4, 348-355
-
(2002)
CrystEngComm
, vol.4
, pp. 348-355
-
-
Anghel, A.T.1
Day, G.M.2
Price, S.L.3
-
49
-
-
9944253640
-
-
Day, G. M.; Price, S. L.; Leslie, M. Cryst. Growth Des. 2001, 1, 13-26
-
(2001)
Cryst. Growth Des.
, vol.1
, pp. 13-26
-
-
Day, G.M.1
Price, S.L.2
Leslie, M.3
-
50
-
-
0142071838
-
-
Day, G. M.; Price, S. L.; Leslie, M. J. Phys. Chem. B 2003, 107, 10919-10933
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 10919-10933
-
-
Day, G.M.1
Price, S.L.2
Leslie, M.3
-
51
-
-
19944412529
-
-
Coombes, D. S.; Catlow, C. R. A.; Gale, J. D.; Rohl, A. L.; Price, S. L. Cryst. Growth Des. 2005, 5, 879-885
-
(2005)
Cryst. Growth Des.
, vol.5
, pp. 879-885
-
-
Coombes, D.S.1
Catlow, C.R.A.2
Gale, J.D.3
Rohl, A.L.4
Price, S.L.5
-
53
-
-
40849136136
-
-
Macrae, C. F.; Bruno, I. J.; Chisholm, J. A.; Edgington, P. R.; McCabe, P.; Pidcock, E.; Rodriguez-Monge, L.; Taylor, R.; van de Streek, J.; Wood, P. A. J. Appl. Crystallogr. 2008, 41, 466-470
-
(2008)
J. Appl. Crystallogr.
, vol.41
, pp. 466-470
-
-
MacRae, C.F.1
Bruno, I.J.2
Chisholm, J.A.3
Edgington, P.R.4
McCabe, P.5
Pidcock, E.6
Rodriguez-Monge, L.7
Taylor, R.8
Van De Streek, J.9
Wood, P.A.10
-
55
-
-
27944476305
-
-
Lyssenko, K. A.; Golovanov, D. G.; Kravchenko, A. N.; Chikunov, I. E.; Lebedev, O. V.; Makhova, N. N. Mendeleev Commun. 2004, 14, 105-107
-
(2004)
Mendeleev Commun.
, vol.14
, pp. 105-107
-
-
Lyssenko, K.A.1
Golovanov, D.G.2
Kravchenko, A.N.3
Chikunov, I.E.4
Lebedev, O.V.5
Makhova, N.N.6
-
56
-
-
0034874245
-
-
Bauer, J.; Spanton, S.; Henry, R.; Quick, J.; Dziki, W.; Porter, W.; Morris, J. Pharm. Res. 2001, 18, 859-866
-
(2001)
Pharm. Res.
, vol.18
, pp. 859-866
-
-
Bauer, J.1
Spanton, S.2
Henry, R.3
Quick, J.4
Dziki, W.5
Porter, W.6
Morris, J.7
-
57
-
-
0030944392
-
-
Davey, R. J.; Blagden, N.; Potts, G. D.; Docherty, R. J. Am. Chem. Soc. 1997, 119, 1767-1772
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 1767-1772
-
-
Davey, R.J.1
Blagden, N.2
Potts, G.D.3
Docherty, R.4
-
59
-
-
0035824059
-
-
Shankland, N.; David, W. I. F.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J. Chem. Commun. 2001, 2204-2205
-
(2001)
Chem. Commun.
, pp. 2204-2205
-
-
Shankland, N.1
David, W.I.F.2
Shankland, K.3
Kennedy, A.R.4
Frampton, C.S.5
Florence, A.J.6
-
64
-
-
52649130888
-
-
Wang, X. J.; Yang, X.; Liu, Y. X.; Ching, C. B. AIChE J. 2008, 54, 2281-2292
-
(2008)
AIChE J.
, vol.54
, pp. 2281-2292
-
-
Wang, X.J.1
Yang, X.2
Liu, Y.X.3
Ching, C.B.4
|