scholarly journals Common Force Field Thermodynamics of Cholesterol

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Francesco Giangreco ◽  
Eiji Yamamoto ◽  
Yoshinori Hirano ◽  
Milan Hodoscek ◽  
Volker Knecht ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Force Field ◽  
Dynamic Characteristics ◽  
Degrees Of Freedom ◽  
Force Fields ◽  
Principal Component ◽  
Component Analysis ◽  
Field Independence ◽  
Internal Degrees Of Freedom

Four different force fields are examined for dynamic characteristics using cholesterol as a case study. The extent to which various types of internal degrees of freedom become thermodynamically relevant is evaluated by means of principal component analysis. More complex degrees of freedom (angle bending, dihedral rotations) show a trend towards force field independence. Moreover, charge assignments for membrane-embedded compounds are revealed to be critical with significant impact on biological reasoning.

Application of the principal component analysis on geochemical data: a case study in the basement complex of Southern Ilesa area, Nigeria

2010 ◽  
Vol 4 (1-2) ◽  
pp. 239-247 ◽  
Author(s):  
Emmanuel A. Ariyibi ◽  
Samuel L. Folami ◽  
Bankole D. Ako ◽  
Taye R. Ajayi ◽  
Adebowale O. Adelusi
Keyword(s):  
Principal Component Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Geochemical Data ◽  
Basement Complex

scholarly journals Groundwater Quality Assessment: An Improved Approach to K-Means Clustering, Principal Component Analysis and Spatial Analysis: A Case Study

Water ◽  
2018 ◽  
Vol 10 (4) ◽  
pp. 437 ◽  
Author(s):  
Ana Marín Celestino ◽  
Diego Martínez Cruz ◽  
Elena Otazo Sánchez ◽  
Francisco Gavi Reyes ◽  
David Vásquez Soto
Keyword(s):  
Principal Component Analysis ◽  
Spatial Analysis ◽  
Groundwater Quality ◽  
Quality Assessment ◽  
Principal Component ◽  
Component Analysis ◽  
Groundwater Quality Assessment

Principal Component Analysis of Hydrological Data

2010 ◽  
pp. 364-388
Author(s):  
Petr Praus
Keyword(s):  
Water Quality ◽  
Principal Component Analysis ◽  
Drinking Water ◽  
Ground Water ◽  
Principal Component ◽  
Component Analysis ◽  
Data Sets ◽  
Hydrological Data ◽  
First Case

In this chapter the principals and applications of principal component analysis (PCA) applied on hydrological data are presented. Four case studies showed the possibility of PCA to obtain information about wastewater treatment process, drinking water quality in a city network and to find similarities in the data sets of ground water quality results and water-related images. In the first case study, the composition of raw and cleaned wastewater was characterised and its temporal changes were displayed. In the second case study, drinking water samples were divided into clusters in consistency with their sampling localities. In the case study III, the similar samples of ground water were recognised by the calculation of cosine similarity, the Euclidean and Manhattan distances. In the case study IV, 32 water-related images were transformed into a large image matrix whose dimensionality was reduced by PCA. The images were clustered using the PCA scatter plots.

Assessment of water quality using principal component analysis: a case study of the Marrecas stream basin in Brazil

2020 ◽  
pp. 1-10 ◽  
Author(s):  
Alexandre Teixeira de Souza ◽  
Lucas Augusto T. X. Carneiro ◽  
Osmar Pereira da Silva Junior ◽  
Sérgio Luís de Carvalho ◽  
Juliana Heloisa Pinê Américo-Pinheiro
Keyword(s):  
Water Quality ◽  
Principal Component Analysis ◽  
Principal Component ◽  
Component Analysis
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