scholarly journals A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde

2018 ◽  
Vol 40 (4) ◽  
pp. 630-637 ◽  
Author(s):  
Asja A. Kroeger ◽  
Amir Karton
Keyword(s):  
Adduct Formation ◽  
Formation Reaction

Quantum–classical approach to the reaction dynamics in a superfluid helium nanodroplet. The Ne2 dimer and Ne–Ne adduct formation reaction Ne + Ne-doped nanodroplet

2019 ◽  
Vol 21 (43) ◽  
pp. 24218-24231 ◽  
Author(s):  
Miquel Blancafort-Jorquera ◽  
Arnau Vilà ◽  
Miguel González
Keyword(s):  
Angular Momentum ◽  
Superfluid Helium ◽  
Critical Role ◽  
Reaction Dynamics ◽  
Adduct Formation ◽  
Quantized Vortices ◽  
Classical Approach ◽  
Formation Reaction

The Ne + Ne@(4He)N reaction dynamics was studied using a quantum–classical approach. The angular momentum plays a critical role: the Ne–Ne adduct formation dominates the reactivity (instead of the Ne2 dimer) and quantized vortices are produced.

Stabilization of Hazardous Materials into Ferrites

1991 ◽  
Vol 23 (1-3) ◽  
pp. 399-404 ◽  
Author(s):  
Y. Tamaura ◽  
P. Q. Tu ◽  
S. Rojarayanont ◽  
H. Abe
Keyword(s):  
Aqueous Solution ◽  
Heavy Metal ◽  
Metal Ions ◽  
Present Method ◽  
Hazardous Materials ◽  
Precipitation Process ◽  
Waste Waters ◽  
Formation Reaction ◽  
Coating Method ◽  
Hazardous Metal

Stabilization of the hazardous materials by the Fe3O4-coating method was studied. In the ferrite-formation reaction in the aqueous solution, the adsorption of the metal ions and the oxidation of the adsorbed Fe(II) ions are repeated on the surface of the ferrite particles. This reaction was adopted to the coating of the hazardous materials with the Fe3O4(or ferrite). By repeating the two steps of l)the addition of the Fe(II) aqueous solution into the suspension of the hazardous materials, and 2)the oxidation by passing air through the reaction suspension, with the Fe3O4 layer, we could coat the surfaces of the hazardous materials, such as the heavy metal sludge from the neutralization-precipitation process, the CaF2 precipitates in the treatment of the waste waters containing fluoride ion along with hazardous metal ions, and the soils containing Cd(II) ion. These Fe3O4-coated hazardous materials are very stable and no heavy metal ions are leached under the normal environmental conditions. The ferrite sludges formed in the “Ferrite Process” were highly stabilized by the present method, and by the heat-treatment.

Addition of Tetrachloromethane to 1,5-Hexadiene

1992 ◽  
Vol 57 (2) ◽  
pp. 393-396 ◽  
Author(s):  
Martin Kotora ◽  
Milan Hájek
Keyword(s):  
Palladium Catalyst ◽  
Adduct Formation ◽  
High Yield ◽  
Reaction Conditions ◽  
Dibenzoyl Peroxide

The 2 : 1 adduct as the final product of the addition of tetrachloromethane to 1,5-hexadiene catalyzed by copper(I)-butylamine complex was obtained in high yield (96%) under mild reaction conditions. Predominant 1 : 1 adduct formation was observed in the presence of a palladium catalyst or dibenzoyl peroxide initiator.

Formation of spiro adduct from N-methyl-N-(2,4,6-trinitrophenyl)glycine anion

1989 ◽  
Vol 54 (2) ◽  
pp. 440-445 ◽  
Author(s):  
Vladimír Macháček ◽  
Alexandr Čegan ◽  
Miloš Sedlák ◽  
Vojeslav Štěrba
Keyword(s):  
Nmr Spectroscopy ◽  
Dimethyl Sulfoxide ◽  
Equilibrium Constant ◽  
Mole Fraction ◽  
Nucleophilic Addition ◽  
Adduct Formation ◽  
First Case ◽  
C Nmr

The intramolecular nucleophilic addition of N-methyl-N-(2,4,6-trinitrophenyl)glycine anion in methanol-dimethyl sulfoxide mixtures produces spiro[(3-methyl-5-oxazolidinone)-2,1'-(2',4',6'-trinitrobenzenide)]. The spiro adduct has been identified by means of 1H and 13C NMR spectroscopy. This is the first case when the formation of a Meisenheimer adduct with carboxylate ion is observed. Logarithm of the equilibrium constant of adduct formation increases linearly with the mole fraction of dimethyl sulfoxide in its mixture with methanol.

scholarly journals Self-Assembled Bimetallic Aluminum-Salen Catalyst for the Cyclic Carbonates Synthesis

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4097
Author(s):  
Wooyong Seong ◽  
Hyungwoo Hahm ◽  
Seyong Kim ◽  
Jongwoo Park ◽  
Khalil A. Abboud ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Reaction Pathway ◽  
Kinetic Studies ◽  
Cyclic Carbonate ◽  
Reaction Conditions ◽  
Formation Reaction ◽  
X Ray ◽  
Carbonate Formation ◽  
Salen Aluminum

Bimetallic bis-urea functionalized salen-aluminum catalysts have been developed for cyclic carbonate synthesis from epoxides and CO2. The urea moiety provides a bimetallic scaffold through hydrogen bonding, which expedites the cyclic carbonate formation reaction under mild reaction conditions. The turnover frequency (TOF) of the bis-urea salen Al catalyst is three times higher than that of a μ-oxo-bridged catalyst, and 13 times higher than that of a monomeric salen aluminum catalyst. The bimetallic reaction pathway is suggested based on urea additive studies and kinetic studies. Additionally, the X-ray crystal structure of a bis-urea salen Ni complex supports the self-assembly of the bis-urea salen metal complex through hydrogen bonding.

scholarly journals Thermodynamic and detailed kinetic study of the formation of orthophthalaldehyde-agmatine complex by fluorescence intensities

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Khémesse Kital ◽  
Moumouny Traoré ◽  
Diégane Sarr ◽  
Moussa Mbaye ◽  
Mame Diabou Gaye Seye ◽  
...  
Keyword(s):  
Complex Formation ◽  
Thermodynamic Parameters ◽  
Initial Rate ◽  
Reaction Medium ◽  
Standard Entropy ◽  
Step Size ◽  
Formation Reaction ◽  
Different Temperatures ◽  
Kinetics Of ◽  
Complex Formation Process

Abstract The aim of this work is to determine the thermodynamic parameters and the kinetics of complex formation between orthophthalaldehyde (OPA) and agmatine (AGM) in an alkaline medium (pH 13). Firstly, the association constant (Ka) between orthophthalaldehyde and agmatine was determined at different temperatures (between 298 K and 338 K) with a step size of 10 K. Secondly, the thermodynamic parameters such as standard enthalpy (ΔH°), standard entropy (ΔS°),and Gibbs energy (∆G) were calculated, where a positive value of ΔH° (+45.50 kJ/mol) was found, which shows that the reaction is endothermic. In addition, the low value of ΔS°(+0.24 kJ/mol) indicates a slight increase in the disorder in the reaction medium. Furthermore, the negative values of ΔG between −35.62 kJ/mol and −26.02 kJ/mol show that the complex formation process is spontaneous. Finally, the parameters of the kinetics of the reaction between OPA and AGM were determined as follows: when the initial concentration of AGM (5 × 10−6 M) is equal to that of the OPA, the results show that the reaction follows an overall 1.5 order kinetics with an initial rate of 5.1 × 10−7Mmin−1 and a half-life of 8.12 min. The partial order found in relation to the AGM is 0.8. This work shows that the excess of OPA accelerates the formation reaction of the complex.

Probing the Paradigm of Promiscuity for N‐Heterocyclic Carbene Complexes and their Protein Adduct Formation

2021 ◽  
Author(s):  
Matthew P. Sullivan ◽  
Monika Cziferszky ◽  
Iogann Tolbatov ◽  
Dianna Truong ◽  
Davide Mercadante ◽  
...  
Keyword(s):  
Adduct Formation ◽  
Carbene Complexes ◽  
Protein Adduct
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