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Indonesian Journal of Chemistry

ijc
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Published by Universitas Gadjah Mada

ISSN : 14119420 EISSN : 24601578 DOI : -

Core Subject : Science, Engineering,

Chemical Engineering, Chemistry & Bioengineering Chemistry

Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology and Higher Education (RISTEKDIKTI) No : 21/E/KPT/2018 (in First Rank) and indexed in Scopus since 2012. Since 2018 (Volume 18), Indonesian Journal of Chemistry publish four issues (numbers) annually (February, May, August and November).

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Articles 10 Documents

Search results for , issue "Vol 3, No 1 (2003)" : 10 Documents clear

QUANTITATIVE STRUCTURE AND ACTIVITY RELATIONSHIP ANALYSIS OF 1,2,4-THIADIAZOLINE FUNGICIDES BASED ON MOLECULAR STRUCTURE CALCULATED BY AM1 METHOD Mudasir Mudasir; Iqmal Tahir; Ida Puji Astuti Maryono Putri
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Quantitative structure-Activity relationship (QSAR) analysis of fungicides having 1,2,4-thiadiazoline structure based on theoretical molecular properties have been done. Calculation of the properties was conducted by semiempirical method AM1 and the activity of the compounds was taken from literature. Relationship analysis between fungicides activity (pEC50) and molecular properties was done using SPSS program. The QSAR analysis gave the best model as follows: pEC50 = 3.842 + (1.807x10-4) ET + (5.841x10-3) Eb - (5.689x10-2) DHf -0.770 log P + 1.144 a - 0.671 m + 9.568 GLOB - (5.54x10-2) MR. n=19 r=0.917 SE=0.216 Fcal/Ftable=2.459 PRESS=0.469. The best model obtained was then used to design and predict the fungicides activity of new compounds derived from 1,2,4-thiadiazoline.

KINETIC STUDY ON ADSORPTION OF CHROMIUM(lIl) TO DIATOMACEOUS EARTH PRE-TREATED WITH SULFURIC AND HYDROCHLORIC ACIDS Nuryono Nuryono; V.V.H. Susanti; Narsito Narsito
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

In this research, the effect of Sangiran diatomaceous earth pre-treatment with sulfuric acid (H2SO4) and hydrochloric acid (HCl) on the kinetics of adsorption for Cr(III) in aqueous solution has been studied. The research has been carried out by mixing an amount of diatomeaeous earth with HCl or H2SO4 in various concentrations for two hours at temperature of 150 - 200°C. The mixture was washed with water until neutral, and the residue was dried at 70°C for four hours. The result then was used as adsorbent. Adsorption was carried out by mixing an amount of adsorbent with Cr(III) solution in various contact times. Ion adsorbed was determined by analyzing filtrate using atomic absorption spectrophotometry. The effect of pre-treatment on adsorption kinetics was evaluated based on kinetic parameters, i.e. constant of adsorption rate by using Langmuir-Hinshelwood kinetics and using two-process kinetics (fast and slow processes). Adsorption kinetics calculated using LH equation gave negative value for adsorption rate constant of zero order (k0). On the other words, the LH kinetics might not be applied for adsorption of Cr(III) to diatomaceous earth adsorbent. Results of kinetics study approached using two processes (fast and slow) showed that adsorption of Cr(III) occurred in two processes with rate constant of fast adsorption, kc, 0.041/min, rate constant of slow adsorption, kl, 0.0089/min, and of slow desorption, k'l, 0.089/menit. Pre-treatment with HCl up to 10 M decreased either kc, kl or k'l, while pre-treatment with H2SO4 1M increased kc to 0.061/min, decreased kl to 0.00424 and k'l to 0.0139/min. On pre-treatment with H2SO4 higher than 6 M significantly decreased three constants above. Based on the Gibbs energy change (4.31 - 6.79 kJ/mole) showed that adsorption involved physical interaction.

EFFECT OF THE REDUCTION TEMPERATURE INTO CATALYTIC ACTIVITY OF Ni SUPPORTED BY TiO2, AL2O2 AND TiO2/AL2O3 FOR CONVERSION CO2 INTO METHANE Hery Haerudin; Wihatmoko Waskitoaji; Usman Usman
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Nickel catalysts, containing 6% (w/w) of nickel, have been prepared using TiO2, Al2O3 and mixture of TiO2-Al2O3 (1:9). The catalysts were used for CO2 conversion into methane. The characteristics of catalysts were studied by determination of its specific surface area, temperature programmed reaction technique and X-ray diffraction. The specific surface area were varied slightly by different temperature of reduction, namely after reduction at 300°C it was 39, 120 and 113 m2/g and after reduction at 400°C it was 42, 135 and 120 m2/g for 6% nickel catalysts supported on TiO2, Al2O3 and mixture of TiO2-Al2O3 (1:9) respectively. Temperature program reaction studies (TPO and TPR) showed that NiTiOx species were possibly formed during the pretreatments which has shown by the shift of its peak to the lower temperature on Ni catalyst, that supported on mixture of TiO2-Al2O3 compared with catalysts supported on individual TiO2 or Al2O3. The nickel species on reduced Ni catalysts supported on TiO2 and on mixture of TiO2-Al2O3 could be detected by X-ray diffraction. The catalyst's activities toward CH4 formation were affected by the reduction temperature. Activity for CH4 formation was decreased in the following order: Ni/ TiO2 > Ni/ TiO2: Al2O3 > Ni/ Al2O3 and Ni/ TiO2: Al2O3 > Ni/ TiO2> Ni/ Al2O3, when catalysts were reduced at 300°C or 400°C respectively. The CO2 conversion was decreased in the following order: Ni/ Al2O3 > Ni/ TiO2: Al2O3 > Ni/ TiO2 when catalysts were reduced at 300°C or 400°C respectively.

STUDIES ON LEWIS ACID REACTION OF ISOEUGENOL AND ISOEUGENYL ACETATE Bambang Purwono; Retno Dwi Soelistyowati; Mudasir Mudasir
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Studies of the Lewis Acid (AlCl3 and BF3-methanol) to isoeugenol and isoeugenyl acetate have been conducted. Reactions were carried out by stirring of isoeugenol and isoeugenyl acetate for 4 days at room temperature.Structure analysis of the products using IR, MS, 1H NMR and 13C NMR spectrophotometer showed that cyclic dimer product has been obtained white crystal, 175 oC, as a 1-ethyl-5-hydroxy-3-(4-hydroxy-3-methyl phenyl)-6-methoxy-2-methyl indane.

INTERACTION BETWEEN Li+ CATION WITH CROWN ETHERS OF Bz15C5, DBz16C5 AND DBz18C6: MOLECULAR MODELING BASE ON MNDO/d SEMIEMPIRICAL METHOD Harno Dwi Pranowo; Chairil Anwar
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

The aim of this research is to find information about the substituent effect to the structure of crown ether benzo-15-crown-5 (Bz15C5), dibenzo-16-crown-5 (DBz16C5) and dibenzo-18-crown-6 (DBz18C6), and also crown ether selectivity to coordinate a Li+ metal cation. The presence of substituent could change the conformations flexibility of crown ether during interact with metal cation. In this research semi empirical MNDO/d method was used for calculations. Firstly, geometry optimization was conducted to crown ethers structure using MNDO/d methods. The next steps were running the geometry optimization of complexes between cation Li+ with crown ethers. Data were produced from these calculation are the parameter of crown ether structures, structures of the complexes, and the binding energy of the cation-crown ethers. The presence of electron-withdrawing substituents decreased the binding energy while that of electron-donating one increase the binding energy (value of ΔE more negative). The substituents which are increase the degree of symmetry of the cation-crown ether complexes could give the increase of crown ether selectivity to bind the cation. Selectivity of crown ether to bind the cation depends on the structural match between ionic radii of crown ether cavity (the ion-cavity size concept). Bz15C5 what has higher selectivity to bind Li+ than DBz16C5 and DBz18C6.

OPTIMATION OF THE INCUBATION TIME FOR ENZYMATIC PRODUCTION OF COCONUT OIL USING THE FRUIT’S LATEX OF Carica papaya L M Chasani; Sri Sutji S
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Optimisations of incubation time of the enzymatic coconut oil extraction using Carica papaya's latex have been done. These researches were performed based on completed randomised design with varying incubation time (12, 24, 36 and 48 hours) and 3 % inoculums. Experimental data covered of yield, refractive index, water content, acid number, iodine number and organoleptic parameters and then analysed using t-test and regression analysis. The result showed that coconut oil produced by enzymatic reaction had good quality especially in iodine number parameter compared with conventional extraction. From the statistical analysis, the product by 24 hours incubation had the highest yield and best quality.

QSAR STUDY OF FLAVONE / FLAVONOL ANALOGUES AS THE ANTIRADICAL COMPOUNDS BASED ON HANSCH ANALYSIS Iqmal Tahir; Karna Wijaya; Bambang Purwono; Dinni Widianingsih
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

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 (ΔHof), 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 ; r2 = 0.987 ; SD = 9.205; Fcal/Ftable = 4.797)

A PRELIMINARY QUALITATIVE STUDY OF AN ALKALOID IN THE FRUIT OF TERONG BELANDA (Cyphomandra betacea, Cav) Fredryk Mandey; Mikael Dominggus; Tjodi Harlim
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Preliminary studies on Terong Belanda (C. betacea ) have been carried out in this investigation with an aim to examine the presence of an alkaloid in the fruit of Terong Belanda. Several protocols had been done including maceration, extraction, evaporation, separation under column chromatography, crystallization and recrystallization, and testing with series of alkaloid reagent test. Finally one fraction, fraction D, obtaining in white sharp crystals, 96 mg, m.p 117.5 ºC gave positive results to an alkaloid especially from the group of atropine.

SIMULTANEOUS DETERMINATION OF PARACETAMOL AND IBUPROFENE MIXTURES BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY Sophi Damayanti; Slamet Ibrahim; Kurnia Firman; Daryono H Tjahjono
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

Analytical method for the determination of paracetamol and ibuprofene mixtures has been developed by High Performance Liquid Chromatography using C-18 column and acetinitrile - phosphate buffer pH = 4.5 (75:25) containing 0.075% sodium hexanesulfunate as a mobile phase. The detector was set at 215 nm. Using such conditions, retention time for paracetamol and ibuprofen was 4.89 and 7.11 min, respectively. The recovery for paracetamol and ibuprofen was found to be 101.07± 0.73% and 102.02 ± 1.58%, respectively. The detector limits of the method was 1.30 and 1.60 μg/mL with the relative standard deviation (RSD) 0.74 and 1.52% for paracetamol and ibuprofen, respectively.

SYNTHESIS OF 6-NITRO VERATRYL ALCOHOL AND 6-NITRO VERATRALDOXIM FROM VANILIN AS INTERMEDIATES FOR THE PREPARATION OF C-9154 ANTIBIOTIC DERVATIVES Jumina Jumina; Undri Rastuti; Sabirin Matsjeh
Indonesian Journal of Chemistry Vol 3, No 1 (2003)
Publisher : Universitas Gadjah Mada

The synthesis of 6-nitro veratryl alcohol and 6-nitro veratraldoxim from vanilin which was required as intermediates for the preparation of C-9154 antibiotic derivatives was carried out. C-9154 antibiotic is a sufficiently potent antibiotic, but so far this is produced only in low yields through microbiological processes. The reaction steps performed were (1) methylation of vanilin, (2) nitration of the methylation product, (3) reduction of the corresponding nitro compound and (4) reaction of the nitration product with HO-NH2.HCl. Methylation of vanilin was conducted using dimethylsulfate and NaOH at 60 oC for 2 hours. Nitration of the methylation product was performed in 2 methods, i.e. using neat HNO3 and using a mixture of HNO3 and H2SO4 both at 5 oC for 2 hours. Reduction of the nitration product was conducted using NaBH4 either at room temperature and at reflux. Reaction of the nitration product with HO-NH2.HCl was carried out in ethanol 95% at 50 oC for 2 hours. The products were analyzed by means of TLC, GC, IR, 1H NMR and GC-MS spectrometers. The methylation of vanilin gave 87.7% yield of veratraldehyde which was found as a white crystal (m.p 43 oC). The nitration of veratraldehyde produced 6-nitro veratraldehyde observed as a yellow crystal having of m.p. 130 oC. Nitration using neat HNO3 gave a smaller yield (50.35%) of 6-nitro veratraldehyde than nitration with a mixture of HNO3 and H2SO4 (93.63%). Reduction of 6-nitro veratraldehyde using NaBH4 at room temperature and at reflux afforded 6-nitro veratryl alcohol which was found as brown crystal (m.p 123-127 oC) respectively in 13.47% and 56.61%. This reduction also produced 6-amino veratryl alcohol and 3,4-dimethoxy benzoic zcid as by products. 6-Nitro veratraldehyde reacts with HO-NH2.HCl to give 6-nitro veratraldoxim in 48.27% yield.

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