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Prediction of the remaining activity of horse liver alcohol dehydrogenase after exposure to various organic solvents

Andersson, Mats LU ; Holmberg, Hans and Adlercreutz, Patrick LU (1998) In Biocatalysis and Biotransformation 16(4). p.259-273
Abstract

Twenty solvents were selected from a principal component (PC) analysis of 103 organic solvents. The solvents were selected so as to obtain a set of test items that spanned a large range of molecular properties of the selected solvents. The activity of free and Celite-immobilized horse liver alcohol dehydrogenase (HLADH) obtained after 20 h exposure to these solvents were used to create a PLS model based on 14 solvent descriptors. A correlation coefficient of 0.997 between the predicted and the observed remaining activity was obtained. A slightly worse PLS model was obtained using only three solvent descriptors (log P, dielectric constant and melting point). A correlation coefficient of 0.957 between the predicted and the observed... (More)

Twenty solvents were selected from a principal component (PC) analysis of 103 organic solvents. The solvents were selected so as to obtain a set of test items that spanned a large range of molecular properties of the selected solvents. The activity of free and Celite-immobilized horse liver alcohol dehydrogenase (HLADH) obtained after 20 h exposure to these solvents were used to create a PLS model based on 14 solvent descriptors. A correlation coefficient of 0.997 between the predicted and the observed remaining activity was obtained. A slightly worse PLS model was obtained using only three solvent descriptors (log P, dielectric constant and melting point). A correlation coefficient of 0.957 between the predicted and the observed remaining activity was obtained. The latter model was used to predict the remaining activity of HLADH after its exposure to 93 organic solvents.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
HLADH, Organic solvents, PCA, PLS
in
Biocatalysis and Biotransformation
volume
16
issue
4
pages
15 pages
publisher
Taylor & Francis
external identifiers
  • scopus:0032426958
ISSN
1024-2422
DOI
10.3109/10242429809003621
language
English
LU publication?
yes
id
d5c427c1-70cd-49e5-97df-275e36ad2fac
date added to LUP
2019-06-20 15:36:57
date last changed
2020-01-13 02:04:06
@article{d5c427c1-70cd-49e5-97df-275e36ad2fac,
  abstract     = {<p>Twenty solvents were selected from a principal component (PC) analysis of 103 organic solvents. The solvents were selected so as to obtain a set of test items that spanned a large range of molecular properties of the selected solvents. The activity of free and Celite-immobilized horse liver alcohol dehydrogenase (HLADH) obtained after 20 h exposure to these solvents were used to create a PLS model based on 14 solvent descriptors. A correlation coefficient of 0.997 between the predicted and the observed remaining activity was obtained. A slightly worse PLS model was obtained using only three solvent descriptors (log P, dielectric constant and melting point). A correlation coefficient of 0.957 between the predicted and the observed remaining activity was obtained. The latter model was used to predict the remaining activity of HLADH after its exposure to 93 organic solvents.</p>},
  author       = {Andersson, Mats and Holmberg, Hans and Adlercreutz, Patrick},
  issn         = {1024-2422},
  language     = {eng},
  month        = {12},
  number       = {4},
  pages        = {259--273},
  publisher    = {Taylor & Francis},
  series       = {Biocatalysis and Biotransformation},
  title        = {Prediction of the remaining activity of horse liver alcohol dehydrogenase after exposure to various organic solvents},
  url          = {http://dx.doi.org/10.3109/10242429809003621},
  doi          = {10.3109/10242429809003621},
  volume       = {16},
  year         = {1998},
}