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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).

Arjuna Subject : -

Articles 1,956 Documents

118 119 120 121 122

Varietal Discrimination of Pineapple (Ananas comosus L.) Using Chromatographic Fingerprints and Chemometrics Almie Amira Munaras Khan; Norashikin Saim; Rossuriati Dol Hamid; Rozita Osman; Siti Raihan Zakaria
Indonesian Journal of Chemistry Vol 20, No 5 (2020)
Publisher : Universitas Gadjah Mada

Online solid-phase extraction-liquid chromatography (online SPE-LC) with diode array detector (DAD) was used to obtain the chromatographic fingerprint of bioactive compounds of pineapple (Ananas comosus L.). The extracts from 40 samples of three different varieties of pineapple (Morris, MD2, and Josaphine) were obtained using pressurized liquid extraction (PLE) prior to separation using online SPE-LC. The SPE-LC method was optimized and validated and applied to 40 pineapple samples of those three varieties. Seven bioactive compounds identified include catechin, epicatechin, chlorogenic acid, ferulic acid, quercetin, myricetin, and bromelain. For varietal discrimination, the relative areas of 16 selected peaks were subjected to chemometric techniques. The three pineapple varieties were successfully discriminated using cluster analysis (CA) and principal component analysis (PCA).

Mathematical Modeling of Reactive Extraction of Solute from Slab Solid Material Indah Hartati; Hary Sulistyo; Wahyudi Budi Sediawan; Muhammad Mufti Azis; Moh Fahrurrozi
Indonesian Journal of Chemistry Vol 20, No 2 (2020)
Publisher : Universitas Gadjah Mada

Reactive extraction is gaining higher attention due its wide application in various solute separation processes. Here, a mathematical model of reactive extraction in slab has been proposed. The model was developed by considering simultaneous processes of active compound intra particle diffusion, second order elemental reaction of solute-active compound, and intra-particle product diffusion. The obtained partial differential equations (PDEs) were solved using Finite Difference Approximation (FDA) method by using realistic parameters. Concentration profile as well as product yield were evaluated as a function of time. As a result, the model proposed here may serve as a basis design for reactive extraction unit. Sensitivity analyses was conducted to inspect the influence of slab thickness, diffusivity and reaction rate constant to the product yield. Eventually, model validation was conducted by comparing the simulation results with analytical solutions for special cases. Validation results showed that the model gave good agreement with the analytical solution.

Cellulose Acetate of Rice Husk Blend Membranes: Preparation, Morphology and Application Meri Suhartini; Engela Evy Ernawati; Anisa Roshanova; Haryono Haryono; June Mellawati
Indonesian Journal of Chemistry Vol 20, No 5 (2020)
Publisher : Universitas Gadjah Mada

Cellulose acetate blend membranes in this study synthesized from cellulose acetate (CA) of rice husk and NaA zeolites (Z) with N,N’-Methylene bis acrylamide (MBA) as cross-linker agent and gamma-rays from cobalt-60 source as a reaction initiator. Application of the membrane was carried out to increase the concentration of vetiverol in vetiver oil. The steps in this study were isolation the cellulose rice husk with alkali treatment, delignification, acetylation, preparation the cellulose acetate-NaA zeolites NaA-membrane by inverse phase technique, addition N,N’-Methylene bis acrylamide, and irradiation by gamma-rays. Swelling degree, crosslinking yield, tensile strength, membrane performance, FTIR, and SEM analysis were observed. The results obtained that the optimal irradiation dose for synthesis CA-Z-MBA membrane is 20 kGy. The CA-Z-MBA membrane has swelling degree of 4.44%, the tensile strength of 656.40 kg/cm2, and crosslinking yield of 6.61%. Performance of the CA-Z-MBA membrane reached the flux of 60.58 g/m2.h, and permeate concentration (CP) of 11.67%, the CP increase 5 times from 2.40% to 11.67%.

Identification of Phosphatidylinositol 3-kinase δ (PI3Kδ) Inhibitor: Pharmacophore-based Virtual Screening and Molecular Dynamics Simulation Muhammad Arba; Malindo Sufriadin; Daryono Hadi Tjahjono
Indonesian Journal of Chemistry Vol 20, No 5 (2020)
Publisher : Universitas Gadjah Mada

Phosphatidylinositol 3-kinase δ (PI3Kδ) is a validated drug target for the treatment of cancer. The present study aims to search for new inhibitors of PI3Kδ by employing pharmacophore modelling using LigandScout Advanced 4.3 software. The three hydrogen bond acceptors and two hydrophobic features were proposed as a pharmacophore model using LASW1976 structure. The model was then validated using the Area Under Curve (AUC) of Receiver Operating Characteristic (ROC) and GH score. It was used to screen new molecules in the ZINC database, which resulted in 599 hits. All 599 hits were then docked into PI3Kδ protein, and five best hits were submitted to 50 ns molecular dynamics simulations. Each hit complexed with PI3Kδ underwent minor conformational changes as indicated by the values of Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF). Furthermore, prediction of the binding free energy using Molecular Mechanics-Poisson Boltzmann Surface Area (MM-PBSA) method showed that five hits, i.e., Lig25/ZINC253496376, Lig682/ZINC98047241, Lig449/ZINC85878047, Lig554/ZINC253389510, and Lig199/ZINC12638303, had lower binding energy compared to LASW1976. This result indicated their potentials as new inhibitors of PI3Kδ.

Assessment of Free and Total Cyanide Levels in the Water Environment of Shatt Al-Arab Zuhair Ali Abdulnabi
Indonesian Journal of Chemistry Vol 20, No 4 (2020)
Publisher : Universitas Gadjah Mada

The concentration of free and total cyanide in waters was measured by using the colorimetric method through complex formation with pyridine-barbituric acid at the wavelength of 578 nm. Ten stations were selected from water surfaces in the south of Iraq. The samples were distributed among two stations, one was on Euphrates River and the other was on Tigris River (before their confluence and formatting of Shatt Al-Arab) and selected seven stations along Shatt Al-Arab River. All the samples were collected from surface water at depth of 10–15 cm and their pH was adjusted to 12 by using sodium hydroxide. The results showed the highest concentration of free cyanide (0.254 mg/L) in station W7 and the lowest concentration in stations W2, W9 and W10, while the highest and lowest concentration of total cyanide (9.962, 0.207 mg/L) were recorded in station W7 and W1 respectively. The standard deviation of all sites (n = 3) of free and total cyanide was calculated and showed 0.007–0.048 and 0.001–0.042 ranges respectively. Furthermore, some of the physico-chemical properties of water were recorded in these stations.

High Oleic Pentaerythritol Tetraester Formation via Transesterification: Effect of Reaction Conditions Nor Faeqah Idrus; Robiah Yunus; Zurina Zainal Abidin; Umer Rashid; Norazah Abd Rahman
Indonesian Journal of Chemistry Vol 20, No 4 (2020)
Publisher : Universitas Gadjah Mada

Pentaerythritol tetraoleate esters synthesized from high oleic palm oil methyl ester (POME) have potential as biolubricant base stock. In the present study, the chemical transesterification of POME and pentaerythritol (PE) using sodium methoxide as a catalyst was conducted under vacuum. The effect of operating variables such as reaction temperature, catalyst concentration, the molar ratio of POME to PE, vacuum pressure, and stirring rate on the yield of PE tetraoleate was examined. The ideal conditions for the reaction were at a temperature of 160 °C, 1.25% (w/w) catalyst concentration, the molar ratio of POME to PE at 4.5:1, vacuum pressure at 10 mbar, and stirring speed at 900 rpm. PE tetraoleate with a yield of 36% (w/w), was successfully synthesized under this condition within 2 h of reaction time.

Spectrophotometric Determination of Cu(II) in Analytical Sample Using a New Chromogenic Reagent (HPEDN) Esraa Raafid; Muneer A. Al-Da’amy; Salih Hadi Kadhim
Indonesian Journal of Chemistry Vol 20, No 5 (2020)
Publisher : Universitas Gadjah Mada

The sensitive, accurate and rapid spectrophotometric method that can be used for determination of Cu(II) in the analytical samples using a new chromogenic reagent azo-Schiff base 1-((4-(1-(2-hydroxyphenylimino)ethyl)-phenyl)diazenyl) naphthalene-2-ol (HPEDN). The synthesized new (azo-Schiff base) ligand was complexed with copper(II) and characterized using UV/Vis spectroscopy, IR spectra, 1H-NMR, 13CN-MR spectra, Molar electrical connectivity, and measuring of their melting points. Then obtained complex showed a brown color with maximum absorption at λmax = 500 nm at pH = 9. Beer’s law is obeyed in the concentration in the range of 1.7 to 5.4 μg/mL. The molar absorption and Sandell’s sensitivity values of Cu(II) complex were found to be 0.5038 × 104 L mol–1 cm–1 and 0.0039 μg cm–2, respectively. Structure of the prepared complex was investigated by using the continuous variation, mole ratio method and slope analysis method. The obtained results showed that the complex has (1:2) (M:L) molar ratio and these results showed that this method were more sensitive, more precise and accuracy through the calculation of (Re, Erel, R.S.D)%. The most important interferences were due to, Co2+, Cd2+, Zn2+, Ni2+, Mn2+, Pd2+, Fe3+ and these were studied, and suitable masking agents were used. This method was applied for the determination of Cu(II) in alloy. The obtained results were compared with flame atomic absorption spectrometry method and these results were in a good agreement in these two cases.

An Investigation on the Effect of Solvent and Heat to Clay Minerals in Shaly Sandstone Wan Zairani Wan Bakar; Ismail Mohd Saaid; Mohd Riduan Ahmad; Husna Hayati Jarni; Siti Qurratu’ Aini Mahat
Indonesian Journal of Chemistry Vol 20, No 6 (2020)
Publisher : Universitas Gadjah Mada

Core cleaning could be complicated for samples that contain a high amount of clays. Some clays are delicate and exposure to solvent and heat would damage or alter its properties. In this study, we investigated the effect of direct exposure of solvent and heat to clay mineral properties based on petrographical data from X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscope (FESEM) and Energy Dispersive X-Ray (EDX). Experiments were performed on sidewall core samples taken in a shaly sand zone. The FTIR data did not show any changes at the molecular level to the clay mineral after direct contact with the selected solvent. The FESEM images showed some illite floccules collapse in the samples exposed to oven-drying at 60 °C.

Application of Fourier Transform Near-Infrared (FT-NIR) and Fourier Transform Infrared (FT-IR) Spectroscopy Coupled with Wavelength Selection for Fast Discrimination of Similar Color of Tuber Flours Rudiati Evi Masithoh; Hanim Zuhrotul Amanah; Byoung Kwan Cho
Indonesian Journal of Chemistry Vol 20, No 3 (2020)
Publisher : Universitas Gadjah Mada

This research aimed at providing a fast and accurate method in discriminating tuber flours having similar color by using Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy in order to minimize misclassification if using human eye or avoid adulteration. Reflectance spectra of three types of tubers (consisted of Canna edulis, modified cassava, and white sweet potato) were collected to develop a multivariate model of partial least-squares discriminant analysis (PLS-DA). Several spectra preprocessing methods were applied to obtain the best calibration and prediction model, while variable importance in the projection (VIP) wavelength selection method was used to reduce variables in developing the model. The PLS-DA model achieved 100% accuracy in predicting all types of flours, both for FT-NIR and FT-IR. The model was also able to discriminate all flours with coefficient of determination (R2) of 0.99 and a standard error of prediction (SEP) of 0.03% by using 1st Savitzky Golay (SG) derivative method for the FT-NIR data, as well as R2 of 0.99 and SEP of 0.08% by using 1st Savitzky Golay (SG) derivative method for the FT-IR data. By applying the VIP method, the variables were reduced from 1738 to 608 variables with R2 of 0.99 and SEP of 0.09% for FT IR and from 1557 to 385 variables with R2 of 0.99 and SEP of 0.05% for FT NIR.

In Silico Study on Interaction and Preliminary Toxicity Prediction of Eleutherine americana Components as an Antifungal and Antitoxoplasmosis Candidate Sophi Damayanti; Nadiyah Athifah Salim Martak; Benny Permana; Adi Suwandi; Rika Hartati; Indra Wibowo
Indonesian Journal of Chemistry Vol 20, No 4 (2020)
Publisher : Universitas Gadjah Mada

Red bulbs of Eleutherine americana (Aubl.) Merr. ex K. Heyne has been known for its high content of naphthoquinones that have antifungal and antiparasitic activities. In this research, in silico interaction study was performed between 31 compounds reported to be found in E. americana with the selected target proteins for antifungal and antitoxoplasmosis activity using the molecular docking method. An ORPs (OSBP-related proteins), Osh4 (PDB ID: 1ZHX), and N-myristoyltransferase (Nmt, PDB ID: 1IYL) were used as the antifungal target proteins. Toxoplasma gondii purine nucleoside phosphorylase (TgPNP, PDB ID: 3MB8) and calcium-dependent protein kinase-1 (TgCDPK1, PDB ID: 4M84) were used as antitoxoplasmosis target proteins. Three-dimensional structures of the test compounds were made and optimized using GaussView 6.0 and Gaussian 09W. The target proteins were prepared using the Discovery Studio 2016 Program. Aquatic toxicity prediction as the preliminary assessment of the safety of the compounds was performed using ECOSAR v2.0. The results suggest that the compound having both the smallest free binding energy compared with positive control and other test compounds and low predicted toxicity is β-sitosterol with a free binding energy of ‒11.55 and ‒11.18 kcal/mol towards Osh4 and Nmt and ‒8.06 and ‒10.29 kcal/mol towards TgPNP and TgCDPK1, respectively.

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