The program Mercury, developed at the Cambridge Crystallographic Data Centre, was originally designed primarily as a crystal structure visualization tool. Over the years the fields and scientific communities of chemical crystallography and crystal engineering have developed to require more advanced structural analysis software. Mercury has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure visualization.

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Mercury 4.0: from visualization to analysis, design and prediction

Dye effluents released from numerous dye-utilizing industries are harmful towards the environment and living things. Consequently, existence of dye effluent in environmental water bodies is becoming a growing concern to environmentalists and civilians. A long term sustainable and efficient dye effluent treatment method should be established to eliminate this issue. Dye wastewater should be treated first before release to minimize its negative impacts towards the environment and living things. However, due to lack of information on efficient dye removal methods, it is difficult to decide on a single technique that resolves the prevailing dye effluent issue. Therefore, this paper reviews existing research papers on various biological, chemical and physical dye removal methods to find its efficiency through percentage of dye removal. Although there are numerous existing tried and tested methods to accomplish dye removal, most of them have a common disadvantage which is the generation of secondary pollution to the environment. This paper highlights enzyme degradation (biological) and adsorption (physical) dye removal as these are known as one of the most efficient dye removal techniques these days. This paper also suggests the usage of a combined adsorbent as it is envisioned that this technique has better efficiency and is able to remove dyes at a faster rate.

Efficiency of various recent wastewater dye removal methods: A review

Organic Chemistry By Dr. I. L. Finar. Vol. 2: Stereochemistry and the Chemistry of Natural Products. Pp. xi + 733. (London and New York: Longmans, Green and Co., Ltd., 1956.) 40s. net.

Advanced Organic Chemistry

Economics of biodiesel production: Review

Synthesis, structure and interactions with DNA of novel tetranuclear, [Mn 4 (II/II/II/IV)] mixed valence complexes

In Silico Prediction of Betulinic Acid Derivatives’ Cytotoxicity: Relationship between Topological Descriptors and CC50 Value

The preparation of zirconia dispersed in aluminium pillared montmorillonite and its application as catalyst in phenol hydroxylation is presented in this paper. Characterization of material by using XRD, DRUV-Vis and Gas Sorption Analyzer (GSA). Its activity in the phenol hydroxylation reaction was investigated. It was observed that prepared material increase significantly the reaction rate. Effect of reaction parameter to the conversion and product selectivity is also presented in this paper.

Preparation of zirconium dispersed in aluminium pillared montmorillonite and its activity in phenol hydroxylation

The conversion of silica gels into sulfated silicas (SO4/SiO2) have been carried out. The sulfation process of the catalysts was carried out by impregnation of sulfuric acids at concentrations of 1; 2; and 3 M and calcination temperatures of 500, 600, and 700 °C. Sulfation with 2 M H2SO4 and calcination temperature of 600 °C (SS2-600) produced a catalyst with the highest acidity value (5.13 mmol NH3 g-1). XRD analysis showed the formation of amorphous SiO2 phase, whereas SSA analysis showed that the SS2-600 catalyst had a mesoporous structure with a surface area of 147.728 m2/g, a total pore volume of 0.25 mL/g and a pore diameter of 6.439 nm. Characterization results show that sulfated silica gels have potency as solid acid catalysts.

Sulfuric Acid-Activated Silica Gel as a Potential Solid Acid Catalyst

Quantitative Structure-Activity Relationship (QSAR) analysis of substituted flavone / flavonol compounds has been carried out by applying Hansch Analysis using their physicochemical properties as the predictors. The properties i.e. log P, (log P) 2 , core-core interaction energy (Eint), volume (V), molecular mass (M), dipole moment (μ), heat of formation (ΔH o f), binding energy (Ei), total energy (ET), surface area (L), polarizability (α), molar refractivity (RM), hidration energy (EH), electronic energy (Eel) and isolated atomic energy (Eat,is), were obtained on the basis of geometry optimization using PM3 semiempirical method. The QSAR analysis used antiradical activities (% A) as the dependent variable and has been done by applying multilinear regression technique. The result showed that QSAR equations i.e. % A = 77.426 – 67.343 [log P] + 3.160 [(log P) 2 + 67.884 [α] + 6.63x10 -4 [ Eint] – 5.280 [L] + 1.179 [V] + 0.447 [M] – 11.000 [μ] + 0.093 [Ei] + 3.433 [EH] – 3.44x10 -3 [ET] (n = 16 ; r 2 = 0.987 ; SD = 9.205; Fcal/Ftable = 4.797)

QSAR STUDY OF FLAVONE / FLAVONOL ANALOGUES AS THE ANTIRADICAL COMPOUNDS BASED ON HANSCH ANALYSIS Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch

The utilization of industrial wastewater into a versatile material that has been the focus of research for economics reasons, environmental and technical. One of the proposed industrial wastewater for a new useful material is wastewater from the desalination process which is also known as brine water. The magnesium content in brine water is able to used as a source of magnesium for the synthesis of Mg/Al hydrotalcite-like compound (Mg/Al HTlc). Mg/Al HTlc are widely investigated for their potential applications in research and industrial processes as adsorbents, catalysts and /or catalyst precursors and pharmaceutical industry excipients. As adsorbents, Mg/Al HTlc are receiving greater interests in the environmental community due to their high adsorption capacity. However, before using natural brine water, has conducted a preliminary study the synthesis of Mg/Al HTlc by using artificial brine water as a model of desalination wastewater. The objective of this research is to synthesis of Mg/Al HTlc from artificial brine water and its ability tested as a methyl orange (MO) adsorbents. The research initiated with the synthesis of Mg/Al HTlc from artificial brine water. Characterization of the Mg/Al HTlc synthesized was confirmed through X-ray Diffraction and FT-IR Spectroscopy. The determination of optimum acidity, adsorption rate, and energy and capacity adsorption were studied. The result showed that pH 3 was the optimum acidity for the adsorption of MO on Mg/Al HTlc. MO was adsorbed at first order adsorption rate of 7.30 × 10-4 s-1 on the Mg/Al HTlc, the adsorption capacity and adsorption energy were 4.36 × 10-5 mol g-1 and 27.54 kJ mol-1, respectively. From the preparatory process and the synthesis of Mg/Al HTlc by using artificial brine water to provide the information that the byproduct of desalination processes (brine water) which are believed to be used for the synthesis of Mg / Al HTlc.

Karna Wijaya

Papers

In Silico Prediction of Betulinic Acid Derivatives’ Cytotoxicity: Relationship between Topological Descriptors and CC50 Value

Preparation of zirconium dispersed in aluminium pillared montmorillonite and its activity in phenol hydroxylation

Sulfuric Acid-Activated Silica Gel as a Potential Solid Acid Catalyst

QSAR STUDY OF FLAVONE / FLAVONOL ANALOGUES AS THE ANTIRADICAL COMPOUNDS BASED ON HANSCH ANALYSIS Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch

STUDI PENDAHULUAN PEMANFAATAN LIMBAH DESALINASI UNTUK PEMBUATAN Mg/Al HYDROTALCITE-LIKE SEBAGAI ADSORBEN METHYL ORANGE