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A review on reactions of polycyclic aromatic hydrocarbons with the most abundant atmospheric chemical fragments: theoretical and experimental data

Posted on 28. November, 2017.

Aerosols are ubiquitous in the atmosphere and have strong effects on climate and public health due to the reactions of polycyclic aromatic hydrocarbon (PAH) compounds in air. Over the last decade, study of the reactions of PAHs and their derivatives in the atmosphere has become key to finding an effective way to decrease the impact of this spontaneous reaction and so reduce air pollution.


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Mechanism of covalent adsorption of benzenesulfonamide onto COOH– and COCl– functionalised carbon nanotubes

Posted on 6. April, 2016.

The use of carbon nanotubes (CNTs) in drug delivery is a new, rapidly developing field. Different systems such as polymers, dendrimers, and liposomes have been used for drug delivery, but carbon nanotubes provide more effective structures due to their high drug loading capacities and good cell penetration qualities.


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Synthesis, characterisation, in vitro DNA binding properties and antioxidant activities of Ln(III) complexes with chromone-3-carbaldehyde-(2´-hydroxy) benzoyl hydrazone

Posted on 5. January, 2016.

Numerous biological experiments have demonstrated that DNA is the primary intracellular target of anticancer drugs due to the intercalation between small molecules and DNA, which can cause DNA damage in cancer cells, blocking their division and resulting in cell death. So to develop new and efficient DNA intercalators to be used as anticancer drugs is an urgent and important task.


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Fuzzy Logic modelling of non-catalytic, multi-step hydrogen reduction of molybdenum disulfide in the presence of lime

Posted on 15. October, 2015.

Metal sulfide reduction in the presence of a suitable sulfur-scavenging metal oxide is an attractive process for the direct recovery of metals.


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The role of ESR spectroscopy in advancing catalytic science: some recent developments

Posted on 27. August, 2015.

Paramagnetic species, i.e. those containing unpaired electrons, are involved as reactive intermediates in many of the mechanisms devised for catalytic processes. Since these tend to have an intrinsically fleeting existence, to detect and characterise them is difficult. They may take the form, for example of free radicals, paramagnetic redox sites on catalytic surfaces, or be a part of the essential functional centre of an enzyme. 


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Density functional theoretical study on the mechanism of adsorption of 2-chlorophenol from water using γ-Fe2O3 nanoparticles

Posted on 18. May, 2015.


The removal of aromatic pollutants from water is of great importance environmentally and industrially. 2-chlorophenol and phenol-like compounds are categorised as persistent pollutants and many techniques have been presented for the removal of phenolic pollutants from water. Among the most important of such techniques is the application of nanoparticles of magnetic metals such as Fe2O3


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A combined quantum mechanics and molecular mechanics study on nitrogen oxide adsorption/dissociation on a tungsten oxide surface

Posted on 1. May, 2015.

The release of chemical pollutants, such as nitrogen oxides (NO and NO2), into the atmosphere is a major source of acid rain and photochemical smog. Finding methods to control and eliminate these pollutants (NOx) from the troposphere is obviously of great interest and as such, the development of NOx gas sensors for environmental monitoring is desirable.


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Cleavage of carbofuran and carbofuranderivatives in micellar aggregates

Posted on 22. April, 2015.

Historically, based on carbamic acid, a large family of carbamate pesticides have been developed, and are also widely employed as insecticides. In 1988, Goto et al. reported the first synthesis of carbofuran, and also described the biological activity of various amino sulfenyl derivatives of methylcarbamate. Later, the synthesis of several procarbofurans was reported by Gaset et al. These derivatives present a substitution in the nitrogen proton by different organic groups.


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Mechanistic and electrochemical investigation of catechol oxidation in the presence of thioacetamide: application for voltammetric determination of thioacetamide in aqueous media

Posted on 1. April, 2015.

Organic sulfur compounds are commonly found in wastewater and sediments and are environmentally significant due to their hideous odour. Sulfur containing organic compounds such as thioacetamide CH3CSNH2 (TAM) have many industrial and non-industrial applications.


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