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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 25 Documents

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Search results for , issue "Vol 18, No 1 (2018)" : 25 Documents clear

Density Functional Theory (DFT) and Natural Bond Orbital (NBO) Analysis of Intermolecular Hydrogen Bond Interaction in "Phosphorylated Nata De Coco - Water" Sitti Rahmawati; Cynthia Linaya Radiman; Muhamad Abdulkadir Martoprawiro
Indonesian Journal of Chemistry Vol 18, No 1 (2018)
Publisher : Universitas Gadjah Mada

This study aims to study the conformation, the hydrogen bond network, and the stabilities of all the possible intermolecular interactions in phosphorylated nata de coco membrane with water (NDCF-(H2O)n, n = 1-5). Analysis of natural bond orbital (NBO) was performed to measure the relative strength of the hydrogen bonding interactions, charge transfer, particularly the interactions of n-σ * O-H and to take into account the effect on the stabilities of the molecular structure. All calculation were performed using density functional theory (DFT) method, at B3LYP functional level of theory and 6-311 G** basis set. The charge transfer between the lone pair of a proton acceptor to the anti-bonding orbital of the proton donor provides the substantial to the stabilization of the hydrogen bonds. Interaction between NDCF and (H2O)5 was strongest with the stabilization energy of 37.73 kcal/mol, that indicate the ease of donating lone pair electrons. The contributions of each hydrogen bond to the stability of the complex have been analyzed.

Molecular Docking Analysis of Ginger Active Compound on Transient Receptor Potential Cation Channel Subfamily V Member 1 (TRPV1) Fifteen Aprila Fajrin; Agung Endro Nugroho; Rina Susilowati; Arief Nurrochmad
Indonesian Journal of Chemistry Vol 18, No 1 (2018)
Publisher : Universitas Gadjah Mada

Ginger had been reported to ameliorate painful diabetic neuropathy (PDN) in an animal model. Gingerol and shogaol were active compounds of ginger that potentially act on transient receptor potential cation channel subfamily V member 1 (TRPV1), a key receptor in PDN. This study aims to predict the binding of gingerol and shogaol to TRPV1 using an in silico model. The ligands of the docking study were 3 chemical compounds of each gingerol and shogaol, i.e. 6-shogaol, 8-shogaol, 10-shogaol, 6-gingerol, 8 gingerol and 10-gingerol. Capsaicin, a TRPV1 agonist, was used as a native ligand. The TRPV1 structure was taken from Protein Data Bank (ID 3J9J). The docking analysis was performed using Autodock Vina. The result showed that among the ginger active compounds, 6-shogaol had the strongest binding energy (-7.10 kcal/mol) to TRPV1. The 6-shogaol lacked the potential hydrogen bond to Ile265 of TRPV1 protein, which capsacin had. However, it's binding energy towards TRPV1 was not significantly different compared to capsaicin. Therefore, 6-shogaol had potential to be developed as a treatment for PDN.

Synthesis of Zeolite from Sugarcane Bagasse Ash Using Cetyltrimethylammonium Bromide as Structure Directing Agent Sriatun Sriatun; Taslimah Taslimah; Linda Suyati
Indonesian Journal of Chemistry Vol 18, No 1 (2018)
Publisher : Universitas Gadjah Mada

The purpose of this research is to synthesize zeolite from sugarcane bagasse ash using cetyltrimethylammonium bromide as structure directing agent. This research used cetyltrimethylammonium bromide surfactant to invent the high porosity, surface area, acidity and thermal stability of synthesized zeolite. The Silica was extracted by alkaline fusion using sodium hydroxide solution. The synthesis was conducted by hydrothermal process at 100 °C for 7 days, ageing process for 24 h and calcination at 500 °C for 5 h. The ratio of Si/Al (v/v) was 1, 15 and 25, meanwhile the concentration of cetyltrimethylammonium bromide was 5x10-4 M, 1x10-3 M and 1x10-2 M. The result showed all of product have strong absorbance at 950–1050 cm-1 and 620–690 cm-1, 420–460 cm-1, double ring at 520–570 cm-1, pore opening at 300–370 cm-1. Vibration of –OH as silanol group or water was indicated by broad absorbance at 3400–3450 cm-1. The diffractograms XRD showed that the product had high crystallinity. The composition of product on ratio Si/Al 1 with concentration of cetyltrimethylammonium 10-2 M is sodalite, the ratio Si/Al 15 and 25 are NaP1 and SiO2 quartz and contain 12.23% and 12.19% of Si, 4.17% and 13.18% of Al, respectively. Observation on SEM revealed that the crystal produced using cetyltrimethylammonium bromide were homogenous and regular in shape.

Liquid Chromatography Mass Spectrometry (LC-MS) Fingerprint Combined with Chemometrics for Identification of Metabolites Content and Biological Activities of Curcuma aeruginosa Dewi Anggraini Septaningsih; Latifah Kosim Darusman; Farit Mochamad Afendi; Rudi Heryanto
Indonesian Journal of Chemistry Vol 18, No 1 (2018)
Publisher : Universitas Gadjah Mada

Curcuma aeruginosa is known as one of the components of herbal medicine with various biological activities. This research aims to identify the metabolites content of C. aeruginosa related to their biological activities using LC-MS fingerprint combined with chemometrics. C. aeruginosa from 3 areas in Java were collected and macerated with ethanol and then analyzed with LC-MS. Along with this analysis, the antioxidant activity of all samples was determined using CUPRAC method, and the toxicity was determined using Brine Shrimp Lethality Test (BSLT), and chemometric method was used Principle Component Analysis (PCA) and Partial Least square (PLS). Metabolites profiles showed 175 predicted compounds, in which the dominant compounds are from the sesquiterpene of Curcuma genus. The PCA metabolites profiles can separate the samples by their location of origin. Interpretation of the correlation between metabolites profiles and their bioactivities was determined using PLS technique. The results showed that the toxicity of samples was exerted by compounds with ion mass of 312.28 and 248.15, which have the highest antioxidant and toxicity potentials. Compounds with ion mass of 248.15 were predicted to be 9-Oxo-neoprocurcumenol, 7α,11α,-Epoxy-5β-hydroxy-9-guaiaen-8-one, Curcumenolactone A, or Curcumenolactone B. While compound with ion mass of 312.28 was predicted to tetrahydro-bisdemethoxycurcumin.

Synthesis and Characterization of Chitosan Linked by Methylene Bridge and Schiff Base of 4,4-Diaminodiphenyl Ether-Vanillin Ahmad Fatoni; Poedji Loekitowati Hariani; Hermansyah Hermansyah; Aldes Lesbani
Indonesian Journal of Chemistry Vol 18, No 1 (2018)
Publisher : Universitas Gadjah Mada

The synthesis chitosan-methylene bridge-Schiff base of 4,4-diaminodiphenyl ether-vanillin using casting method has been done. The aims of this research were modification chitosan with Schiff base of 4,4-diaminodiphenyl ether-vanillin, formaldehyde and its characterization using FTIR spectroscopy, SEM analysis, 1H-NMR and X-Ray Diffraction analysis. The first step was a synthesis of modified chitosan between chitosan and Schiff base of 4,4-diaminodiphenyl ether-vanillin. The second step was chitosan modified Schiff base of 4,4-diaminodiphenyl ether-vanillin then reacted with formaldehyde through casting method. The result showed that chitosan can be modified with Schiff base of 4,4-diaminodiphenyl ether-vanillin and formaldehyde and this modified chitosan can be linked by methylene bridge (-NH-CH2-NH-) and had azomethine group (-C=N-). The functional group of –C=N in modified chitosan before and after adding formaldehyde appeared at a constant wavenumber of 1597 cm-1. The functional group C-N in methylene bridge detected at 1388 and 1496 cm-1. The chitosan-Schiff base of 4,4-diaminodiphenyl ether-vanillin and Chitosan-methylene bridge-Schiff base of 4,4-diaminodiphenyl ether-vanillin had index crystalline (%)16.04 and 25.76, respectively. The chemical sift of signal proton azomethine group (-C=N-) in modified chitosan detected at 8.44–8.48 and 9.77 ppm. Proton from methylene bridge in modified chitosan appeared at 4.97–4.99 and 3.75 ppm. Surface morphology chitosan-methylene bridge-Schiff base of 4,4-diaminodiphenylether-vanillin had dense surfaces, mostly uniform and regular in shape.

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