ADDITION REACTIONS OF THE PHOSPHORUS HALIDES. VIII. KINETIC EVIDENCE IN REGARD TO THE MECHANISM OF THE REACTION

1924 ◽  
Vol 46 (1) ◽  
pp. 192-202 ◽  
Author(s):  
J. B. Conant ◽  
V. H. Wallingford
Keyword(s):  
Addition Reactions ◽  
Phosphorus Halides ◽  
Mechanism Of The Reaction

ADDITION REACTIONS OF PHOSPHORUS HALIDES. VI. THE 1,2 AND 1,4 ADDITION OF DIPHENYL-CHLOROPHOSPHINE

1923 ◽  
Vol 45 (1) ◽  
pp. 165-171 ◽  
Author(s):  
J. B. Conant ◽  
J. B. S. Braverman ◽  
R. E. Hussey
Keyword(s):  
Addition Reactions ◽  
Phosphorus Halides

scholarly journals Cephalexin Degradation Initiated by OH Radicals: Theoretical Prediction of the Mechanisms and the Toxicity of Byproducts

2021 ◽  
Author(s):  
R. Masmoudi ◽  
S. Khettaf ◽  
A. Soltani ◽  
A. Dibi ◽  
L. Messaadia ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Theoretical Prediction ◽  
Hydroxyl Radical ◽  
Density Functional ◽  
Aquatic Organisms ◽  
Addition Reactions ◽  
Oh Radicals ◽  
Functional Theory ◽  
Radical Attack ◽  
Mechanism Of The Reaction

Abstract In this work, density functional theory is used to study the local reactivity of cephalexin (CLX) to radical attack and explain the mechanism of the reaction between CLX and hydroxyl radical attack leading to degradation byproducts. The reaction between •OH and CLX is supposed to lead to either an addition of a hydroxyl radical or an abstraction of a hydrogen. The results showed that the affinity of cephalexin for addition reactions increases as it passes from the gas to the aqueous phase and decreases as it passes from the neutral to the ionized form. Thermodynamic data confirmed that OH addition radicals (Radd) are thermodynamically favored over H abstraction radicals (Rabs). The ecotoxicity assessments of CLX and its byproducts are estimated from the acute toxicities toward green algae, Daphnia and fish. The formation of byproducts is safe for aquatic organisms, and only one byproduct is harmful to Daphnia.

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