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Kinetic studies of the reactions between dichlorido(1,2-diaminoethane)zinc(II) and biologically relevant nucleophiles in the presence of chloride

Posted on 16. April, 2018.

The mole-ratio method was used for determining metal–ligand stoichiometry for the reaction between [ZnCl2(en)] (where en = 1,2-diaminoethane or ethylenediamine) and chloride ion at pH 7.2. The results have shown step-wise formation of 1:1 and 1:2 complexes and indicate additional coordination of chloride ions in the first coordination sphere. 


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Mechanism of the water-catalysed addition between melamine and formaldehyde: a theoretical investigation

Posted on 18. August, 2014.

The nucleophilic addition reactions of carbonyl compounds with water and amines are of fundamental importance in organic chemistry. The reaction between water and formaldehyde is a simple and typical example of hydration of carbonyl compounds. Theoretical studies have been carried out on this reaction aiming to find those details that cannot be observed by experimental methods.


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Kinetic and mechanistic aspects of ligand substitution on cis- diaqua (cis-1,2-diaminocyclohexane)platinum(II) with three glycine-containing dipeptides

Posted on 7. August, 2014.

The discovery of cisplatin as an anticancer agent marks the beginning of the upsurge of interest in the use of metal complexes in cancer chemotherapy. However, cisplatin has a narrow spectrum of activity, and its clinical use is limited by undesirable side effects, including nephrotoxicity, ototoxicity, neurotoxicity, nausea, vomiting, and myelosuppression.


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Computational mechanistic study of the gas phase oxidation of methanol with ozone

Posted on 31. July, 2014.

One important aim of modern combustion chemistry is to design and analyse possible new forms of non-petroleum-based fuel or fuel components for use in combustion engines.Methanol can be considered as one of the simplest oxygenated hydrocarbon compounds in this regard.


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Density functional theory study on the mechanism of absorption of CO2 by the ionic liquid 1‑butyl‑3‑methylimidazolium acetate

Posted on 25. June, 2014.

The atmospheric concentration of CO2 has increased unabated primarily due to the CO2 emissions from the combustion of fossil fuels in large stationary emitters like power plants. The flue gas of power plants contains of the order of 10% CO2 at near ambient pressure. 


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Effect of temperature and catalyst type on the catalytic combustion of formaldehyde

Posted on 10. June, 2014.

Recent, environmental legislation has imposed increasingly stringent targets for permitted levels of atmospheric emissions. Volatile organic compounds (VOCs) are a wide-ranging class of chemicals occurring in commercial waste streams, and currently over 300 compounds are classed as VOCs by the US EPA.


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Pyrolysis of trifluoromethane over activated carbon: role of the surface oxygen groups

Posted on 12. May, 2014.

Trifluoromethane (CHF3, HFC-23) is the major byproduct during the manufacture of HCFC-22 (CHClF2) which is one of the key feedstocks for the production of various materials, such as PTFE, PVDF, refrigerants, fire extinguishing agents and foams.


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Mechanism of DNA cleavage catalysed by the system comprising an unsaturated tetraaza macrocycle and La(III) and Ce(III) ions

Posted on 7. May, 2014.

Phosphate esters are essential to any living organism and their specific hydrolysis plays an important role in many metabolic processes.


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Theoretical and experimental studies on regioselectivity of epoxide ring opening by nucleophiles in nitromethane without any catalyst: nucleophilic-chain attack mechanism

Posted on 11. March, 2014.

In nature, epoxide ring opening is catalysed by the phenolic proton of a tyrosine moiety, but in the research laboratory, the cleavage usually occurs in non-aqueous media in the presence of a Lewis acid catalyst. 


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