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.

/pdf/mercury-4-0-from-visualization-to-analysis-design-and-2pxlp4hlx2.pdf

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

This study was aimed at modifying local Shellac with citric acid in varied concentrations of 2, 4, 6, 8 and 10 % (w/w) to prepare Shellac-Bagasse (Sh-Bg) biocomposite and determining its physico-chemical properties. The biocomposite was made from the natural Shellac matrices and Bagasse fibers. Physico-chemical properties of non-modified Shellac and Shellac modified with citric acid including functional groups, intrinsic viscosity, density, and mechanical tensile strength were characterized using\nFourier transform infrared spectrometer (FTIR), Oswald viscometer and Universal Testing Machine (UTM). The analysis results showed an optimum modification of shellac-citric acid at a concentration of 4% (w/w). FTIR analysis of the modified Shellac showed a broad absorption at 3448 cm–1 which indicated the presence of hydroxyl groups (-OH). The presence of C=O ester groups was indicated by the absorption appearing at 1712 cm–1. The absorption at 1251-1250 cm–1 indicated the presence of C-O groups, while the presence of -CH2 methylene groups was indicated by the absorption at 1465\ncm–1. The modified Shellac with its optimal intrinsic viscosity of 169.97 mL/g indicated that there was a reaction between citric acid and Shellac to form an ester, so that the polymer chains formed were longer with a low density of 0,6662-0,8168 mg/L when compared to Shellac without modification. The low density indicated that the citric acid-modified Shellac could be processed to be biocomposite. The biocomposite was made with various compositions of Shellac and Bagasse with hot press at 80 °C and under a pressure of 6 Kgf/cm2. The optimum ratio of Shellac to Bagasse in Shellac-Bagasse (Sh-Bg) biocomposite was of 60:40 %. While, the analysis using Universal testing machine resulted a mechanical tensile strength of 0.6 MPa and an elongation at break of 0.45 %.

Effect of Modifying Shellac with Citric Acid on Shellac-Bagasse Biocomposite

Dagm ar Henschel, K arna W ijaya, O liver Moers, A rm and Blaschette*, Peter G. Jones* Institut für Anorganische und Analytische Chemie der Technischen Universität, Postfach 3329, D-38023 Braunschweig Z. Naturforsch. 52b, 1229-1236 (1997); eingegangen am 30. Juli 1997 Di(methanesulfonyl)amine, Di(benzenesulfonyl)amine, Diaza-18-crown-6, Methanol, Hydrogen Bond The complex compounds 4H N (S02Me)2-(diaza-18-crown-6) (1) and Na[N(S02Ph)2] -2 HN(S02Ph)2-2 (12-crown-4)-2 MeOH (2) were obtained from their components and charac­ terized by low-temperature X-ray diffraction. Structure 1 (monoclinic, space group ?2x!n) displays centrosymmetric formula units consisting of a biangular diazonia-18-crown-6 dica­ tion, two (MeS02)2N_ anions situated above and below the macrocycle and linked to the NH2 groups via an N H O and N -H — N bond system, and finally two HN(S02Me)2 mole­ cules, each forming an N -H O bond to one of the anions. The molecule-anion entity repre­ sents an iso form of the [(RS02)2N -H — N(S02R)2]~ homoconjugates previously described. The crystal packing of 1 is stabilized by an extensive and highly organized [H2C -H —O(S)] hydrogen bond network. Structure 2 (monoclinic, space group P2xln) exhibits inconspicuous [Na(12-crown-4)2]+ cations and, as a striking feature, supramolecular anions assembled from a central (PhS02)2N_ ion, two MeOH molecules flanking the amide anion, and two H N(S02Ph)2 molecules bonded to the MeOH moieties. The assembly is held together by two N -H —0(H)(M e) bonds, one M eO -H —N_ bond and one M eO -H —O(anion) interaction. For both structures, conformational peculiarities of the N(S02C)2 groups are discussed.

Polysulfonylamine, xcvii di(organosulfonyl)amine und ihre konjugierten anionen als simultane baugruppen in zwei supramolekularen strukturen

Modeling of several alkyl salicylates based on electronic transition by using semiempriical mechanical quantum ZINDO/s calculation has been done. Object of these research were assumed only alkyl salicylates of C4 (butyl) until C8 (octyl) homologue with 4-7 example structures of each homologue. All of the computation have been performed using quantum chemistry – package software Hyperchem 6.0. The research covered about drawing each of the structure, geometry optimization using semiempirical AM1 algorithm and followed with single point calculation using semiempirical ZINDO/s technique. ZINDO/s calculations used a defined criteria that is singly excited – Configuration Interaction (CI), gap of HOMO-LUMO energy transition was 2 and degeneracy level was 3. Analysis of the theoretical spectra was focused in the UV-B (290-320 nm) and UV-C (200-290 nm) area. The result showed that modeling of the compound can be used for predicting the type of UV protection activity depending with the electronic transition in the UV area. Modification of the alkyl homologue relatively did not change the value of wavelength absorbtion to indicate the UV protection activity. Alkyl salicylate compounds were predicted as UV-C sunscreen or relatively the compounds have protection effect for UVC.

MODELING OF ALKYL SALICYLATE COMPOUNDS AS UV ABSORBER BASED ON ELECTRONIC TRANSITION BY USING SEMIEMPIRICAL QUANTUM MECHANICS ZINDO/s CALCULATION Pemodelan Senyawa Alkil Salisilat sebagai Penyerap Sinar UV Berdasarkan Pendekatan Transisi Elektronik Hasil Perhitungan Mekanika Kuantum Semiempirik ZINDO/s.

The use of methanol over ZSM-5 and modified catalysts for the production of light olefins has emerged as an effective new strategy for this industry. In the methanol-to-olefin (MTO) process, the challenges are maintaining product selec 

Karna Wijaya

Papers

Effect of Modifying Shellac with Citric Acid on Shellac-Bagasse Biocomposite

Polysulfonylamine, xcvii di(organosulfonyl)amine und ihre konjugierten anionen als simultane baugruppen in zwei supramolekularen strukturen

Improvement of Catalyst Activity in Methanol-to-Olefin Conversion via Metal (Sr/La) Impregnation over ZSM-5 Catalyst

Alkaline leaching-carbon from sugarcane solid waste for screen-printed carbon electrode