scholarly journals Classifying Modes of Toxic Action of Molecules with Electronic-Structure Informatics. Application to Imbalanced Toxicity Data of Phenol Derivatives to Tetrahymena pyriformis

2021 ◽  
Author(s):  
Algafari Bakti Manggara ◽  
Kazufumi Ohkawa ◽  
Manabu Sugimoto
Keyword(s):  
Electronic Structure ◽  
Tetrahymena Pyriformis ◽  
Toxic Action ◽  
Toxicity Data ◽  
Phenol Derivatives ◽  
Informatics Application

Machine learning-based models to predict modes of toxic action of phenols to Tetrahymena pyriformis

2017 ◽  
Vol 28 (9) ◽  
pp. 735-747 ◽  
Author(s):  
J. A. Castillo-Garit ◽  
G. M. Casañola-Martin ◽  
S. J. Barigye ◽  
H. Pham-The ◽  
F. Torrens ◽  
...  
Keyword(s):  
Machine Learning ◽  
Tetrahymena Pyriformis ◽  
Toxic Action

An Electronic‐structure Informatics Study on the Toxicity of Alkylphenols to Tetrahymena pyriformis

2020 ◽  
Vol 39 (1-2) ◽  
pp. 1900121 ◽  
Author(s):  
Manabu Sugimoto ◽  
Algafari Bakti Manggara ◽  
Kazuki Yoshida ◽  
Takafumi Inoue ◽  
Toshihiro Ideo
Keyword(s):  
Electronic Structure ◽  
Tetrahymena Pyriformis

Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database

Chemosphere ◽  
2016 ◽  
Vol 165 ◽  
pp. 434-441 ◽  
Author(s):  
Karel Dieguez-Santana ◽  
Hai Pham-The ◽  
Pedro J. Villegas-Aguilar ◽  
Huong Le-Thi-Thu ◽  
Juan A. Castillo-Garit ◽  
...  
Keyword(s):  
Linear Regression ◽  
Acute Toxicity ◽  
Multiple Linear Regression ◽  
Tetrahymena Pyriformis ◽  
Phenol Derivatives ◽  
Median Size ◽  
Regression Approach

scholarly journals Corrosion Inhibitor Performance of Phenol Derivative using Density Functional Theory

2019 ◽  
Vol 8 (2) ◽  
pp. 3706-3712
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Metal Electrode ◽  
Basis Set ◽  
Phenol Derivative ◽  
Functional Theory ◽  
Phenol Derivatives ◽  
Quantum Approach

Metal-air batteries are demanded in nowadays as a potential replacement of lithium based batteries in storage applications. Because of corrosion occur in metal electrode, this corrosion limited the performance lifetime of the metal-air batteries. The aims of this paper to evaluate the performance inhibition efficiency of phenol derivatives using quantum approach. An inhibitors efficiency of eight phenol derivatives was calculated using Density Functional Theory (DFT) with B3LYP functional and 6-311(d,p) basis set. The parameter of electronic structure was calculated to determine the inhibition efficiency. All of the phenol derivatives led to an increase in inhibition efficiency except 5-Methyl-2-nitrophenol and 4-(Methoxycarbonyl)phenol. DFT show that Phenol, 2,6-dimethoxy-4-2-(2-propenyl) is higher inhibitor efficiency at 94%. As a conclusion, phenol derivatives extracted from the pyrolysis can be used as inhibitor to reducing the corrosion on metal.

13C chemical shifts of phenol derivatives. A correlation with electronic structure

1980 ◽  
Vol 13 (2) ◽  
pp. 132-136 ◽  
Author(s):  
Marek Ilczyszyn ◽  
Zdzisław Latajka ◽  
Henryk Ratajczak
Keyword(s):  
Electronic Structure ◽  
Chemical Shifts ◽  
13C Chemical Shifts ◽  
Phenol Derivatives

Albumin-Induced Endocytic Vacuoles in Tetrahymena Pyrijormis

1975 ◽  
Vol 33 ◽  
pp. 694-695
Author(s):  
L. J. Brenner ◽  
D. G. Osborne ◽  
B. L. Schumaker
Keyword(s):  
Electron Microscopy ◽  
Bovine Serum Albumin ◽  
Bovine Serum ◽  
Protein Concentration ◽  
Tetrahymena Pyriformis ◽  
Sequence Of Events ◽  
Cytoplasmic Bodies ◽  
Food Vacuoles ◽  
Mouse Ascites ◽  
Normal Human

Exposure of the ciliate, Tetrahymena pyriformis, strain WH6, to normal human or rabbit sera or mouse ascites fluids induces the formation of large cytoplasmic bodies. By electron microscopy these (LB) are observed to be membrane-bounded structures, generally spherical and varying in size (Fig. 1), which do not resemble the food vacuoles of cells grown in proteinaceous broth. The possibility exists that the large bodies represent endocytic vacuoles containing material concentrated from the highly nutritive proteins and lipoproteins of the sera or ascites fluids. Tetrahymena mixed with bovine serum albumin or ovalbumin solutions having about the same protein concentration (7g/100 ml) as serum form endocytic vacuoles which bear little resemblance to the serum-induced LB. The albumin-induced structures (Fig. 2) are irregular in shape, rarely spherical, and have contents which vary in density and consistency. In this paper an attempt is made to formulate the sequence of events which might occur in the formation of the albumin-induced vacuoles.

Sign in / Sign up

Export Citation Format

Share Document