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
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 ◽  
...  

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

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 ◽  
...  

2019 ◽  
Vol 8 (2) ◽  
pp. 3706-3712

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.


1980 ◽  
Vol 13 (2) ◽  
pp. 132-136 ◽  
Author(s):  
Marek Ilczyszyn ◽  
Zdzisław Latajka ◽  
Henryk Ratajczak

Author(s):  
L. J. Brenner ◽  
D. G. Osborne ◽  
B. L. Schumaker

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.


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