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INDONESIA
Indonesian Journal of Chemistry
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
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Influence of LLDPE-g-MA on Mechanical Properties, Degradation Performance and Water Absorption of Thermoplastic Sago Starch Blends Denny Akbar Tanjung; Novesar Jamarun; Syukri Arief; Hermansyah Aziz; Ahmad Hafizullah Ritonga; Boy isfa
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68558

Abstract

The addition of LLDPE-g-MA into the compound of sago starch/LLDPE was studied to improve its mechanical, morphology, degradation performance, and water absorption properties. Thermoplastic Sago Starch was composed of a mixture of sago starch and glycerol. LLDPE-g-MA was prepared in varied concentrations based on the weight of TPSS (0, 6, 8, 10, and 14 wt.%) by reacting LLDPE, maleic anhydride, and benzoyl peroxide using an internal mixer. The results showed an increase in values obtained from mechanical tests, i.e., tensile strength was improved from 0.6902 to 3.6187 N/mm2 with the addition of LLDPE-g-MA at 10 wt.%. The addition also resulted in a 1.44% increment in elongation at break and 251 N/mm2 for Young's Modulus. The surface morphology of the sample demonstrated an excellent interfacial adhesion reaction or LLDPE dispersion over the entire surface of the matrix (starch). The water absorption test continued to decrease with the increase in the LLDPE-g-MA concentration from 53 wt.% (without LLDPE-g-MA) to 14 wt.% at 10 wt.% LLDPE-g-MA concentration. The degradation performance showed that the sample could be degraded under all three conditions for up to 30 days. 
Rotational Barrier and Bond Dissociation Energy and Enthalpy: Computational Study of the Substituent Effects in Para-Substituted Anilines and Phenols Ali Hussain Yateem
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68687

Abstract

This report presents the N–H and O–H bond dissociation energies (BDEs) and enthalpies (BDEts) of 27 para-substituted anilines and phenols using Density Functional Theory (DFT) with functional wB97X-D and basis set 6-31G**. The computed BDEs/ BDEts show a strong correlation with the calculated rotational barrier (RB) around phenyl–NH2 and phenyl–OH bonds of the parent neutral molecules. Electron-withdrawing (EW) substituents increased RB and BDEs/BDEts, while electron-donating (ED) substituents caused opposite behavior. Geometric, atomic, molecular, and spectroscopic properties of NH2 and OH groups in neutral anilinic and phenolic molecules exhibited excellent correlations with RB and BDEs/BDEts. The geometry around heteroatoms of the radicals displayed constant geometrical changes for all substituents. Spin density maps confirmed that the unpaired electrons in radicals are delocalized in heteroatoms and phenyl rings for all the para-substituents. Spin delocalization in both types of radicals was further enhanced in the presence of para-ED substituents. The increase in electronic density around heteroatoms of radicals with the strength of ED substituents was found proportional to that in neutral molecules. Therefore, the N–H and O–H BDE/BDEt are mainly governed by the stabilization/destabilization of the neutral molecules and, to a significantly lower extent, the stabilization of radicals in the case of strong ED groups.
Comparison of the Adsorption Ability of MgAl-HC, CaAl-HC, and ZaAl-HC Composite Materials Based on Duku Peel Hydrochar in Adsorption of Direct Green Anionic Dyes Novie Juleanti; Normah Normah; Patimah Mega Syah Bahar Nur Siregar; Alfan Wijaya; Neza Rahayu Palapa; Tamizi Taher; Nurlisa Hidayati; Risfidian Mohadi; Aldes Lesbani
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68719

Abstract

Preparation of composite material from layered double hydroxide (LDH) with hydrochar (HC) from duku peel produces CaAl-HC, MgAl-HC, and ZnAl-HC have shown the success of the preparation process as evidenced by characterizations such as XRD and FT-IR. The XRD characterization data evidenced the typical diffraction of the hydrochar around 2θ = 20° in the composite material. FTIR analysis is a characterization that supports the success of composite materials, which showed the presence of typical vibrations of HC at 3245, 2931, and 1635 cm–1 contained in the composite spectrum. The application of MgAl-HC, CaAl-HC, and ZnAl-HC composites as adsorbents showed Qmax (adsorption ability) values of 94.340 mg/g, 128.205 mg/g, and 89.286 mg/g. Overall the adsorption process is endothermic with a positive enthalpy value, and a negative Gibbs free energy value indicates a spontaneous adsorption process. The isotherm model of MgAl-HC, CaAl-HC, and ZnAl-HC show that the Langmuir isotherm model is more dominant, as indicated by the R2 value closer to 1 which indicates that the adsorption process takes place in a monolayer.
Preparation and Photoluminescence Spectra of Organometallic Complexes Containing Nanoparticles as Random Gain Media Atheer Abdulraheem Mahmood; Oday Atta Hammadi; Kais Rzaik Ibraheem
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68822

Abstract

This work prepared organometallic complexes from the 8-hydroxyquinoline ligand linked to metal ions such as Ba2+, Ca2+, and Zn2+. The effects of metal ion type and adding nanoparticles to the complex solution on the absorption and photoluminescence characteristics of the prepared complexes were introduced. These nanoparticles were added to the prepared complex solutions to act as scattering centers to form random gain media with emission in the visible region of the electromagnetic spectrum. The random gain media made from the Znq2 complex with nanoparticles showed the best characteristics with good chemical and spectroscopic stabilities, high reliability, and reproducibility in addition to the low production cost and reasonably simple requirements.
In Vitro Alpha-Amylase Inhibitory Activity of Microencapsulated Cosmos caudatus Kunth Extracts Anna Safitri; Anna Roosdiana; Ellysia Hitdatania; Savira Ayu Damayanti
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68844

Abstract

The existence of phytochemicals in Cosmos caudatus Kunth, predominantly phenolic compounds, offers several health benefits. Nevertheless, the bioactive compounds are usually susceptible to degradation, and therefore may reduce their biological activity. This work aims to carry out microencapsulation of C. caudatus K. extracts by spray drying technique. The in vitro alpha-amylase inhibitory activity of the microencapsulated product is also investigated. The effect of manufacturing conditions, including pH, the concentration of wall materials, and stirring time, was evaluated. The optimal conditions for microcapsules formation were selected based on the activity of microcapsules as inhibitors for the alpha-amylase enzyme, pointing out by the lowest number of IC50. Results showed that microcapsules prepared in pH 4, 0.05% of chitosan, and 90 min stirring time had optimum efficiency, with the IC50 value of 92.85 ± 1.21 μg/mL. The FTIR (Fourier-Transform infrared) analysis showed that the –C–N stretching amine functional group appeared at wavenumber 1285 cm–1, and the –P=O phosphate bending appeared at 1206 cm–1. Characterization with PSA (particle size analyzer) and SEM (scanning electron microscope) indicated that microcapsules had predominantly spherical forms with a mean diameter of 38.92 μm. This work confirms the important role of microencapsulation in developing plant extracts with retained biological functionalities.
Synthesis, Structural Analysis and Thermal Behavior of New 1,2,4-Triazole Derivative and Its Transition Metal Complexes Ali Taleb Bader; Nada Ahmed Rasheed Al-qasii; Ahmed Hassen Shntaif; Maryam El Marouani; Mohammed Idaan Hassan AL Majidi; László Trif; Mohammed Boulhaoua
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68859

Abstract

Cobalt(II), nickel(II), and copper(II) complexes containing bidentate ligands )5-(4-nitrophenyl)-4-((4-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol) could be synthesized by the condensation reaction between 1,2,4-triazole derivative and p-phenoxy benzaldehyde. The ligand and its complexes were characterized by various spectroscopic techniques such as FTIR, UV-visible, 1H and 13C-NMR, element analysis, molar conductance, and magnetic susceptibility test. The new ligand was exploited as a ligand to coordinate with Co(II), Ni(II), and Cu(II) by a molar ratio of 1:2 (metal:ligand). The prepared complexes (C1, C2, and C3) were exposed to thermo-gravimetric analysis (TGA/DTG) under an inert atmosphere to investigate their thermal stability. The ligand (L) degradation was also investigated as a reference. The results indicated that the complexes proposed structures had an octahedral geometry.
Improvement of Mechanical, Thermal, and Morphological Properties of Organo-Precipitated Calcium Carbonate Filled LLDPE/Cyclic Natural Rubber Composites Ahmad Hafizullah Ritonga; Novesar Jamarun; Syukri Arief; Hermansyah Aziz; Denny Akbar Tanjung; Boy Isfa
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68888

Abstract

This study investigates the improvement of the mechanical, thermal, and morphological properties of linear low-density polyethylene (LLDPE)/cyclic natural rubber (CNR) after the addition of organo-precipitated calcium carbonate (O-PCC). The impact on the properties of the LLDPE/CNR/LLDPE-g-OA/O-PCC composites was investigated by a series of empirical experiments. First, the polymer composite was blended in the molten state using an internal mixer with a heating temperature of 160 °C and a rotation speed of 100 rpm. The LLDPE was placed in a chamber of internal mixer until melted, followed by CNR, LLDPE-g-OA, and O-PCC. The polymer composites with an O-PCC concentration of 5% obtained the optimal mechanical properties compared to other variations, with a tensile strength of 17.17 MPa and Young's modulus of 252.68 MPa. The presence of O-PCC resulted in better thermal stability and a change in the melting point temperature of 124 °C. The FTIR spectra of the polymer composite showed the specific characteristics of O-PCC at 872.1 cm–1. The morphology of the polymer composite indicates that the O-PCC is evenly dispersed in the polymer composite.
Growth, Electronic Structure, and Electrochemical Properties of Cubic BaTiO3 Synthesized by Low-Pressure Hydrothermal-Assisted Sintering Mohammad Khotib; Bambang Soegijono; Zainal Alim Mas'ud; Gina Libria Nadjamoeddin
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68978

Abstract

Cubic BaTiO3 was synthesized through low-pressure hydrothermal-assisted sintering using Ba(OH)2 and TiO2 as precursors with a mol ratio of Ba:Ti = 1.4:1. The single phase of cubic BaTiO3 was produced at a sintering temperature of 800 °C for 2, 4, 8, and 12 h. The absence of diffraction peak splitting at 2q of 45° was indicated cubic BaTiO3. The crystallite size of BaTiO3 ranged from 80–200 nm, and its size increased with increasing temperatures and sintering times. The micro-strain of the BaTiO3 crystal lattice had a range between 0.27 and 0.68%. The minimum bandgap on the indirect bandgap was about 1.75 eV from point M to Γ, while the direct bandgap was about 1.95 eV from Γ to Γ. Ti–O's interaction had a covalent character, while that of Ba–O had an ionic character based on the density of state (DOS) calculation. The characteristics of the BaTiO3 voltammogram show an irreversible redox mechanism with a more observable reduction peak in Ti4+/Ti3+. Higher current density at over potential indicated greater BaTiO3 capabilities in Oxygen Evolution Reaction (OER)-Oxygen Reduction Reaction (ORR) electrocatalysis. For that, purified cubic BaTiO3 offers potential application as an electrode for batteries, water splitting systems, and regenerative fuel cells.
Density Functional Theory Study of Intermolecular Interactions between Amylum and Cellulose Raynardthan Pontoh; Vania Edita Rarisavitri; Christine Charen Yang; Maximilliam Febriand Putra; Daru Seto Bagus Anugrah
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.69241

Abstract

Amylum is one of the polysaccharides developed into biodegradable plastic bags. However, amylum-based plastics are easily damaged due to their low mechanical strength and hydrophilic properties. Cellulose is used as a support material in amylum-based plastics to increase strength and reduce water damage. This study investigated the molecular interactions between amylum and cellulose computationally. The minimum interaction energy of amylum and cellulose was calculated using in silico modeling using the Density Functional Theory (DFT) method. The B3LYP function and the basis set 6-31++g** were used in the calculations. Simultaneously, D3 Grimme dispersion correction was used as the effect of water solvent in the measures. The results obtained from this study were the interaction energy of amylum and cellulose of –29.8 kcal/mol. The HOMO-LUMO energy gap of the cellulose-amylum complex was lower than cellulose, indicating that the cellulose-amylum complex was more reactive and bonded to each other. Analysis of Natural Bond Orbital (NBO), Quantum Theory Atom in Molecule (QTAIM), Reduced Density Gradient (RDG), Non-covalent Interaction Index (NCI), and Intrinsic Bond Strength Index (IBSI) showed that the cellulose-amylum complex had weak to medium intermolecular bonds. The hydrogen bond at O61···H48 was the strongest in the complex. All data show that cellulose and amylum could interact through non-covalent bonds.
Computational Design of Thioxanthone Derivatives as Potential Antimalarial Agents through Plasmodium falciparum Protein Inhibition Faris Hermawan; Jumina Jumina; Harno Dwi Pranowo; Eti Nurwening Sholikhah; Muthia Rahayu Iresha
Indonesian Journal of Chemistry Vol 22, No 1 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.69448

Abstract

Plasmodium falciparum (P. falciparum) is the most fatal among the other Plasmodium parasites that infect humans with the malaria disease. Currently, the resistance of P. falciparum against some antifolate drugs has become a severe problem. On the other hand, xanthone and thioxanthone derivatives have been reported to have remarkable antimalarial activity. However, molecular docking studies have not evaluated thioxanthone derivative compounds as antimalarial agents. Accordingly, this research investigated the binding pose and inhibition mechanism of several thioxanthone derivatives against P. falciparum proteins DHFR (PDB ID: 1J3K) and DHODH (PDB ID: 1TV5) through molecular docking study. The compound structures were geometrically optimized using Gaussian 09 software and docked to the receptors using AutoDock4 software. The results showed that the free binding energy of thioxanthone derivatives ranged between -6.77 to -7.50 and -8.45 to -9.55 kcal mol–1 against pfDHFR and pfDHODH, respectively, with RMSD values of less than 2 Å. Compound F (4-iodo-3,4-dihydroxy-thioxanthone) gave the most substantial free binding energy against both proteins. Furthermore, the hydrogen bond interaction of compound F was the same as the native ligands of pfDHFR and pfDHODH. These results suggested that compound F has a more robust interaction in pfDHFR and pfDHODH. Thus, it is promising to further evaluate the compound as a candidate for a new antimalarial agent.

Page 142 of 196 | Total Record : 1956

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