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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 22 Documents

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Search results for , issue "Vol 7, No 3 (2007)" : 22 Documents clear

INVESTIGATION OF MOLECULAR INTERACTION BETWEEN PHENYLACETYLENE AND HEXAMETHYLPHOSPHORIC TRIAMIDE BY 13C NMR T1 RELAXATION TIME STUDIES AND AB INITIO QM CALCULATIONS Parsaoran Siahaan; Cynthia L. Radiman; Susanto Imam Rahayu; Muhamad A. Martoprawiro; Dieter Ziessow
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

Intermolecular interactions and molecular translational and rotational mobility are key factors in molecular material sciences, e.g. liquid crystals. One of the important substructures is given by phenylacetylene, Ph-CºCH. Its rotational behavior in its pure form and in high dilution in hexamethylphosphoric triamide OP[N(CH3)2]3 (HMPA) has been studied by means 13C NMR T1 relaxation times at ambient temperature as measured by the inversion recovery method. HMPA is an exceptional solvent in that is has a quite large dipole moment but comparatively low relative dielectricity constant. From the molecular shape Ph-CºCH is expected to exhibit anisotropic rotational diffusion which in fact can be deduced from the measured set of T1 values of the ortho, meta and para carbon nuclei in the neat liquid as well as in the HMPA solution. This expected result rules the dominance of a linearly molecules pair Ph-CºCH...HMPA along their dipole moment axes as anticipated in view of the large HMPA dipole moment. In order to conform with the T1 data, a linear arrangement of Ph-CºCH via the interaction between its weakly acidic H-atom with negatively charge O-atom of HMPA molecules seems to lead to such an anisotropic rotational motion. This hypothesis is supported by ab initio QM calculations which come out with higher interaction energy for linear orientation than other geometries. These ab initio calculations were performed with the basis set of RHF/6-31G(d) for the single molecules of Ph-CºCH and HMPA as well as for their various geometries of the molecules pair. Molecular dynamics simulations need to be performed for further confirmation.

SYNTHESIS OF THE ISOQUINO-[2,1-c][1,3]-BENZODIAZEPINE DERIVATIVE FROM PAPAVERINE I Made Sudarma; John Bremner
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

The objective of this research was to synthesize isoquino[2,1-c][1,3]benzodiazepine from papaverine alkaloid. Functional Group Interconversion (FGI) and Carbon -Nitrogen bond connection approach was investigated. Papaverine (1) was nitrated by HNO3 to compound (2) and followed by reduction with Sn and HCl to afford aminonorlaudanosine (3). Formation of cyclic benzodiazepine (4) was achieved by reaction of (3) with CS2. Products of reactions were confirmed by Nuclear Magnetic Resonances (n.m.r), Mass Spectrum, and Fourier Transform Infra Red (FTIR).

TiO2 AND TiO2/ACTIVE CARBON PHOTOCATALYSTS IMMOBILIZED ON TITANIUM PLATES Winarti Andayani; Agustin Sumartono
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

Study of TiO2 and TiO2 active carbon photocatalyst was done. Immobilization was carried out by sol-gel process using titanium diisopropokside bis-acetylacetonato as titanium precursor. The catalyst was characterized using XRD and SEM. The activity of catalyst was tested using 10 ppm of pentachlorophenol (PCP) as a model of organic waste. The test was done by irradiating PCP solution using UV lamp and varying the catalysts of TiO2, and TiO2/C of 8/2 and 5/5. About 5 mL of sample was taken out at interval time of 1, 2, 4, 6, 8 and 10 h iradiation followed by the measurement of PCP residue and chloride ions. From the characterization results it is known that calcined TiO2 andTiO2/C of 8/2 and 5/5 have anatase structure and active as a catalyst. The activity results using PCP as an organic waste showed that combination of TiO2 and active carbon would increase the activity of the catalyst, but at high percentage of active carbon the performance of the photocatalyst decreased.

ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY Harry Budiman
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD) library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.

A XANTHONE FROM THE STEM BARK OF MANGGIS HUTAN (Garcinia bancana) Muharni Muharni; Dachriyanus Dachriyanus; Husein H. Bahti; Supriyatna Supriyatna
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

A xanthone, 1,5-dihidroxy-3,6-dimethoxy-2,7-bis-(3-methylbutenyl)xanthone had been isolated from the stem bark of Garcinia bancana Miq. The structure of this compound was elucidated by analysis of spectroscopic data, especially using 1D and 2D NMR spectroscopic data.

QM AND AB INITIO INVESTIGATION ON THE HYDROGEN BONDING, NMR CHEMICAL SHIFTS AND SOLVENT EFFECTS ON THE DPPE M. Monajjemi; A. Nouri; H. Monajemi
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

The hydrogen bonding effects that were produced from interaction of membrane lipid dipalmitoylphosphatidyl-ethanolamine (DPPE) with 1-5 water molecules, has been theoretically investigated through the quantum mechanical calculations at the Hartree-Fock level of theory and the 3-21G, 6-31G and 6-31G* basis sets with the computational package of Gaussian 98. According to the obtained results of the structural optimization of the isolated DPPE in the gas phase, we can see the evidences of interactions in the head group of this macromolecule (from the molecular point of view we have a proton transfer from the ammonium group to the phosphate oxygen of zwitterionic form. As we know that the hydrogen bonding of DPPE with water molecules which have surrounded its head group plays an important role in the permeability of DPPE. So, in order to understand the microscopic physico-chemical nature of this subject we have analyzed bond and torsion angles of DPPE before and after added water molecules. In this paper we have theoretically studied the complexes DPPE with water molecules which have surrounded its head group. As mentioned before, this theoretically study has been done through Hartree-Fock level of theory by using simple basis sets. Theoretical data shows that the interaction of head group of DPPE with water molecules causes some changes in the geometry of DPPE which were explained by the contribution of zwitterionic form of DPPE macromolecule, and finally hydrated DPPE becomes stable complex. Comparison between theoretical and experimental geometry data of DPPE macromolecule shows that the calculation at the HF/3-21 level of theory produces results which they are in better agreement with the experimental data. Moreover the hydrogen bonding effects on the NMR shielding tensor of selected atoms in the hydrated complexes of DPPE were reported. The ";Gauge Including Atomic Orbitals"; (GIAO) approaches within the SCF-Hartree-Fock approximation have been used in order to investigate the influence of hydrogen bonding of DPPE-water complex on the shielding tensors. Finally, the solvent affects on the stability of DPPE macromolecule, dipole moment and atomic charge of some selected atoms of DPPE molecule was discussed using Onsager model and Merz-Singh-Kolman schema.

RAPID ISOMERIZATION OF ALKYNOL BY POTASSIUM AMINOPROPYLAMIDE REAGENT Hendig Winarno
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

Terminal alkynol (w-alkynol) is an intermediate compound in synthesis of a potent anticancer agent, namely C-16 alkynic fatty acid. For synthesis of this intermediate compound, it is needed to synthesize the appropriate internal alkynol, namely 2-nonyn-1-ol (10), 2-undecyn-1-ol (11), and 2-heptyn-1-ol (12), subsequently to convert these internal alkynol into terminal alkynol, namely 8-nonyn-1-ol (7), 10-undecyn-1-ol (8), and 6-heptyn-1-ol (9), an isomerization reaction was needed. Based on the method which developed by ABRAMS by using potassium 3-aminopropylamide (KAPA) reagent, the isomerization reaction could be done within 5 minutes in 93-94% yield.

COMBINED BIOLOGICAL-PHOTOCATALYTIC TREATMENT FOR THE MINERALIZATION OF A MIXTURE OF CHLOROPHENOLS IN AN ELECTROLYTE-CONTAINING MODEL WATER AND SPONTANEOUS SEDIMENTATION OF TITANIUM DIOXIDE Dhanus Suryaman; Kiyoshi Hasegawa; Shigehiro Kagaya; Toshiaki Yoshimura
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

To shorten the biological treating time and to examine the effect of electrolytes in a model water on the photocatalytic treatment, the combined biological-photocatalytic treatment was evaluated for removal of a mixture (total: 100 mg L-1, each: 25 mg L-1) of 2-chlorophenol (2-CP), 2,4-dichlorophenol (2,4-DCP), 2,4,5-trichlorophenol (2,4,5-TCP), and pentachlorophenol (PCP) in tap water. The mineralization of the four phenols was performed by a flow (biological treatment)-circulative flow (photocatalytic treatment) operation under black light and sunlight irradiations. After a large portion of biodegradable 2-CP and 2,4-DCP, and around half amount of slightly biodegradable 2,4,5-TCP were removed by the biological treatment, the remained three chlorophenols, biorecalcitrant PCP, and biodegradation products were completely removed by the subsequent photocatalytic treatment. The combined treatment significantly shortened the degradation time only the biotreatment. High circulative flow rate (600 mL min-1) enabled for TiO2 particles to completely suspend in a tubular photoreactor and resulted in high removals of chlorophenols and TOC. Sunlight irradiation was successfully used and the saving of the electric energy of black light was possible. Since TiO2 particles in the tap water spontaneously sedimented on standing after the photocatalytic treatment, the combined system can be operated by integrating it with the TiO2 separation.

EFFECT OF DE-tert-BUTYLATION AND FUNCTIONALIZATION WITH AMINE GROUPS AT THE UPPER RIM OF p-tert-BUTYLCALIX[4]ARENE TO THE EXTRACTABILITY FOR Cr3+, Cd2+ and Pb2+ IONS Firdaus Firdaus; Jumina Jumina; Hardjono Sastrohamidjojo
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

The effects to the extractability forwards Cr3+, Cd2+, and Pb2+ ions of de-tert-butylation and functionalization with amine groups at the upper rim of p-tert-butylcalix[4]arene had been studied by applied the p-tert-butylcalix[4]arene (1), tetrahydroxycalix[4]arene (2), and p-(amino)butoxycalixarene (3) compounds as extractants for the heavy metals ions. The extraction involved optimise of three parameters, i.e. pH, time, and concentration of extractants. The extraction degrees of the heavy metals ions at optimum conditions were compared each other to decide the effects. Compound 1 showed high extractability to Cr3+ and Pb2+ ions over Cd2+ ion, but compound 2 as the debutylated product of compound 1 showed low extractability to the all of the heavy metals ions. Compound 3 as product of etherification with butyl groups of the lower rim followed functionalization with amine groups of the upper rim of compound 1 showed high extractability to Pb2+, but low to Cr3+ and Cd2+. Pursuant to the facts it was concluded that debutylation of compound 1 to compound 2 causing decrease drastically of extractability to the heavy metals ions; functionalization of the upper with amine groups as ionophore (compound 3) causing increase of the extractability to Pb2+ ion and decrease of the extractability to Cr3+ with increasing of separation factor value β(Pb2+/Cr3+) from 1.74 by compound 1 to 48.00 by compound 3. By slope analysis, the extracted species and mechanisms of the extractions have been confirmed.

THE INFLUENCE OF ORGANIC SOLVENT PROTEIN PRECIPITATION ON SDS PAGE PROTEIN PROFILE IN SERUM Tri Joko Raharjo; Rusmiati Suprihatin; Deni Pranowo
Indonesian Journal of Chemistry Vol 7, No 3 (2007)
Publisher : Universitas Gadjah Mada

A study on the influence of organic solvent protein precipitation to the profile of the serum protein has been accomplished. The expected conditions were precipitation of abundant proteins present in serum result in increasing relative concentration of minor protein which can be useful for sample preparation for biomarker studies. The serum were precipitated with various diluted (<10%) acetonitrile, methanol and ethanol followed by SDS-PAGE analysis of the supernatant in order to investigate the protein profile. There were no linear relationship between solvent concentration and the number of protein bands. However, an optimal condition of precipitation was found which is by methanol 0.1%.

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