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.
(Less)
- author
- Andersson, Mats
LU
; Holmberg, Hans
and Adlercreutz, Patrick
LU
- organization
- publishing date
- 1998-12-01
- 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
- 2022-01-31 22:13:21
@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}},
keywords = {{HLADH; Organic solvents; PCA; PLS}},
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}},
}