Experimental validation of an affinity energy distribution calculated with the expectation maximization method

被引：7

作者：

Götmar, G

Guiochon, G ^{[1
]}

机构：

[1] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA

[2] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA

来源：

LANGMUIR | 2004年 / 20卷 / 16期

关键词：

D O I：

10.1021/la040023h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The difference between the average energies of the high-energy modes of the adsorption energy distributions of (S)-alprenolol and (R)-alprenolol on a chiral stationary phase calculated by the expectation maximization method agree well with the difference between the adsorption energies of these two compounds measured by isothermal titration calorimetry.

引用

收藏

页码：6521 / 6523

页数：3

相关论文

共 13 条

[1]

[Anonymous], 1992, ADSORPTION GASES HET, DOI DOI 10.1016/B978-0-12-601690-1.50015-1

[2] Retention mechanism of β-blockers on an immobilized cellulase.: Relative importance of the hydrophobic and ionic contributions to their enantioselective and nonselective interactions [J].

Götmar, G ;

Fornstedt, T ;

Guiochon, G .

ANALYTICAL CHEMISTRY, 2000, 72 (16) :3908-3915

[3] Heterogeneous adsorption of β-blockers on immobilized Cel7A and adsorption energy distribution of two enantiomers on a chiral phase [J].

Götmar, G ;

Stanley, BJ ;

Fornstedt, T ;

Guiochon, G .

LANGMUIR, 2003, 19 (17) :6950-6956

[4]

GOTMAR G, UNPUB

[5] Pharmaceutical and biomedical applications of enantioseparations using liquid chromatographic techniques [J].

Haginaka, J .

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2002, 27 (3-4) :357-372

[6] Microcalorimetric studies on the complex formation between cellobiohydrolase I (CBH I) from Trichoderma reesei and the (R)- and (S)-enantiomers of the β-receptor blocking agent alprenolol [J].

Hedeland, M ;

Henriksson, H ;

Bäckman, P ;

Isaksson, R ;

Pettersson, G .

THERMOCHIMICA ACTA, 2000, 356 (1-2) :153-158

[7]

Jaroniec M., 1988, PHYS ADSORPTION HETE

[8] CONSIDERATIONS OF CHIRAL RECOGNITION RELEVANT TO THE LIQUID-CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS [J].

PIRKLE, WH ;

POCHAPSKY, TC .

CHEMICAL REVIEWS, 1989, 89 (02) :347-362

[9] IMPORTANCE OF THE ACCURACY OF EXPERIMENTAL-DATA IN THE NONLINEAR CHROMATOGRAPHIC DETERMINATION OF ADSORPTION ENERGY-DISTRIBUTIONS [J].

STANLEY, BJ ;

GUIOCHON, G .

LANGMUIR, 1994, 10 (11) :4278-4285

[10] NUMERICAL ESTIMATION OF ADSORPTION ENERGY-DISTRIBUTIONS FROM ADSORPTION-ISOTHERM DATA WITH THE EXPECTATION-MAXIMIZATION METHOD [J].

STANLEY, BJ ;

GUIOCHON, G .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (30) :8098-8104