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Highest Ionic Conductivity of BIMEVOX (ME = 10% Cu, 10% Ga, 20% Ta): Computational Modeling and Simulation Akram La Kilo; Alberto Costanzo; Daniele Mazza; Muhamad Abdulkadir Martoprawiro; Bambang Prijamboedi; Ismunandar Ismunandar
Indonesian Journal of Chemistry Vol 20, No 3 (2020)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (486.073 KB) | DOI: 10.22146/ijc.42635

Abstract

BIMEVOX had the potential to play an important role in solid oxide fuel cell, especially as the electrolyte due to their high ionic conductivity. In this work, oxide ion migrations of γ-Bi2VO5.5 and BIMEVOX were simulated using density function theory (DFT), Mott-Littleton method, and molecular dynamic simulation. In γ-Bi2VO5.5, there were oxygen vacancies at the equatorial position in the vanadate layers. These vacancies could facilitate oxide ions migration. The Enthalpy of the oxide migration for γ-Bi2VO5.5 based on DFT calculation was 0.38 eV, which was in a good agreement with experimental results. The γ-Bi2VO5.5 can be stabilized by partial substitution of V5+ with Cu2+, Ga3+, and Ta5+. Defect simulation results using the Mott-Littleton method showed that the total maximum energies of region II were achieved at concentrations of 10, 10, and 20%, respectively for Cu2+, Ga3+, and Ta5+. The calculated concentration of Cu2+, Ga3+, and Ta5+ were in a good agreement with those of experiment results, where the highest ionic conductivity obtained. The results of the molecular dynamics simulation showed that the activation energies of oxide ion migration in γ-Bi2VO5.5 and BIMEVOX (ME = Cu and Ta) respectively were 0.19, 0.21, and 0.10 eV, close to experimental values.
Learning Media Design based on Traditional Game of Tumbu-Tumbu Belanga (T2B) on Salt Hydrolysis Topic Julhim S. Tangio; Rusmiyati Patilima; Jafar La Kilo; Akram La Kilo
JCER (Journal of Chemistry Education Research) Vol. 5 No. 1 (2021): Volume 5 No. 1 June 2021
Publisher : Universitas Negeri Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26740/jcer.v5n1.p32-40

Abstract

This research aimed to test the validity of the feasibility of traditional game learning media on salt hydrolysis. This research was development research (R&D) with a qualitative descriptive approach. This research uses the ADDIE model development design, which consists of 5 (five) stages, namely (1) analysis, (2) design, (3) development, (4) implementation, and (5) evaluation. Data collection techniques in this study used a validation sheet for the assessment of the feasibility of tumbu-tumbu  learning media. The tumbu-tumbu  learning media validation wass assessed by 4 expert validators, namely 2 chemistry lecturers of State University of Gorontalo material experts, 1 media expert lecturer, and 1 high school chemistry teacher. The results of the validation of tumbu-tumbu  learning media development obtained an average percentage 0f 89.40%, which was categorized in very feasible criteria. Therefore, the tumbu-tumbu  learning media are highly usable in the learning process of salt hydrolysis.
QSAR and Ab Initio studies of quinolon-4(1H)-imine derivatives as antimalarial agents Jafar La Kilo; Akram La Kilo; Saprini Hamdiani
Acta Chimica Asiana Vol. 4 No. 1 (2021)
Publisher : The University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v4i1.39

Abstract

Malaria is still the most dangerous disease threat in the world, including in Indonesia. In Indonesia, it is estimated that there are 20 million cases of malaria per year. Malaria resistance to conventional drugs requires the search for new antimalarial drugs. Molecular modeling can be a solution to these problems. An activity study of 22 quinolone-4 (1H) -imine derivatives as antimalarials was carried out using the QSAR Quantitative Structure-Activity Relationship method. The electronic and molecular descriptors were obtained from the Hartree-Fock HF / 6-31G ab initio calculation. The multiple linear regression (MLR) method was used to construct the QSAR model. The best QSAR models produced are: pEC50 = -4,177 + (37,902 x qC3) + (171,282 x qC8) + (9,061 x qC10) + (125,818 x qC11) + (-149,125 x qC17) + (191,623 x qC18), with statistical parameters, n = 22; r2 = 0,910; SEE = 0,171; Fhit/Ftab = 4,510 dan PRESS = 0,697. The best QSAR equation model can be used as a reference for designing and predicting the antimalarial activity of Quinolon-4 (1H) -imine derivatives which have higher activity than the previous one
Stability Study of Four Layer Aurivillius Oxide of AxBi4-xTi4O15 (A = Ca, Sr, Ba): Atomistic Simulation Akram La Kilo; La Alio; La Ode Aman; Jafar La Kilo
Acta Chimica Asiana Vol. 3 No. 2 (2020)
Publisher : Chemistry Education Program, the University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v3i2.42

Abstract

Aurivillius is bismuth layered structure ferroelectrics that can be applied as memory, sensor, and catalyst. This research aimed to study the stability of AxBi4-xTi4O15 Aurivillius (A = Ca, Sr, and Ba). Dopants (A) partially substitute Bi at the sites of Bi(1) and Bi(2) of the perovskite layer. This research method is an atomistic simulation using by the GULP code. Simulations were carried out by means of AxBi4-xTi4O15 geometry optimization at constant pressure, using the Buckingham potential. The results showed that the increase in the concentration of dopants substituting Bi accompanied by an increase in lattice energies. The most stable Aurivillius was CaxBi4-xTi4O15 (x = 16.3%) carried out by Bi substitution at Bi(2) site, with lattice energy, -1668.227 eV. Aurivillius stability decreases by increasing the size of the dopant. The maximum concentration number of A dopant substituting Bi was discussed.
Lead Metal in Water and Sediment: A Case Study of Rumbia River Deasy Natalia Botutihe; Sri Wanti Sappe; Ahmad Kadir Kilo; Jafar La Kilo; Akram La Kilo
Acta Chimica Asiana Vol. 4 No. 1 (2021)
Publisher : The University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v4i1.45

Abstract

The purpose of this study was to determine and analyze the levels of leadcontained in the water and sediments of the Rumbia River. This research was conducted in a quantitative manner. Lead levels were measured using Atomic Absorption Spectrophotometer (SSA) of Simatzu AA 500. The results showed that the leadcontent in Rumbia River water for point A1 was undetectable whereas point 2 and 3 were 0.001 mg/kg. In sediments, at point A1 is 1.8 mg/kg and at points 2 and 3 were 0.9 mg/kg. The level of Pb in Rumbia River water is still below the water quality standard limit for marine biota determined by the Ministry of Environment No. 51 of 2004. Similarly, lead levels in sediments are below the threshold standard for sediment quality based on sediment quality guidelines for metals and associated levels of concern to be used in doing assessments of sediment quality. In general, it can be said that the concentration of lead in the Rumbia River is still at a harmless level. However, socio-economic conditions that continue to change over time can cause changes in the level of water pollution. So there needs to be an effort and public awareness in maintaining the occurrence of increased levels of pollutants in the Rumbia River.
Students' Creative Thinking Skills on Reaction Rate Topic through Contextual Teaching and Learning Model Mangara Sihaloho; Ika Riyana Tungkagi; Netty Ino Ischak; Dewi Budi Purwati; Akram La Kilo
Jurnal Tadris Kimiya Vol 7, No 1 (2022)
Publisher : Department of Chemistry Education, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/jtk.v7i1.18326

Abstract

This research aims to analyze the contextual teaching and learning (CTL) model on students' creative thinking skills on the reaction rate topic. This quantitative research used true experimental design of pretest-posttest control. The samples used in this study were from 11th grade at SMA Negeri 1 Pinolosian. The experimental class sample was given treatment of the CTL learning model while the control class used conventional learning, respectively, were 31 and 30 students of 93 populations. Based on a questionnaire, students' creative thinking skills were obtained through observation during the learning process. The data analysis of the test instrument was carried out through a validity test using the product-moment correlation technique (significant level = 0.05), Lilliefors normality test, homogeneity of variance test and ttest. The CTL implementation questionnaire and instrument test data were converted into percentages and categorized. The results showed that the application of the CTL model had a positive effect on students' creative thinking abilities, evidenced by the average score of students in the experimental class before and after treatment increased from 14.55 to 74.84. Otherwise, in the control class, the scores were 30.59 to 33.56. The percentage of students' achievement in creative thinking aspects in the experimental class was good (61%-80%) while the control class was less good (21%-40%). The creative thinking abilities of both classes are very different, which is also reflected in the learning outcomes. The value of tcount (2.240) was greater than ttable (2.042) at the significant level = 0.05, and the hypothesis of H0 was rejected, or H1 was accepted. The application of the CTL learning model positively influenced students' creative thinking skills on the reaction rate material. Students' low originality abilities compared to fluency, flexibility, and elaboration abilities were also discussed.
Screening of Secondary Metabolite Compounds of Gorontalo Traditional Medicinal Plants Using the In Silico Method as a Candidate for SARS-CoV-2 Antiviral Yuszda K. Salimi; La Ode Aman; Zaenul Wathoni; Netty Ino Ischak; Akram La Kilo; La Alio
Jurnal Kimia Sains dan Aplikasi Vol 25, No 10 (2022): Volume 25 Issue 10 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.25.10.382-393

Abstract

COVID-19 is a disease that caused a prolonged pandemic in many countries caused by the SARS-CoV-2 virus. This study aims to identify the antiviral potential of secondary metabolites in Gorontalo traditional medicinal plants, which are believed to have the ability to inhibit the main protease protein of this virus. The methods used in this research were molecular docking and molecular dynamic. The main protease proteins for SARS-CoV-2 used based on the homology modeling results were 3V3M and 7TE0. The results of the active compounds in the paxlovid drug were also compared to obtain accurate data comparisons. The validation of the docking method on the 3V3M protein using the natural ligand 0EN revealed an RMSD of 0.75 Å. The RMSD value for validating the 7TE0 protein and natural ligand 4WI was 1.65 Å. The best molecular docking results were obtained using physalin F with a binding affinity of −10.3 kcal/mol for the 3V3M protein and physalin J with a binding affinity of −8.9 kcal/mol for the 7TE0 protein. The outcomes of the molecular dynamic method on the best complexes were determined by examining the value of changes in system energy, changes in system temperature, changes in system pressure, RMSD, RMSF, and bond-free energy (ΔG) of the complex. The standard 0EN ligand had a ΔG of −26.53 kcal/mol, while the standard 4WI ligand had a ΔG of −47.16 kcal/mol. The ΔG of the 3V3M-physalin F and 3V3M-physalin J complexes were respectively −28.22 kcal/mol and −26.62 kcal/mol. The ΔG of the 7TE0-Vitexin 2”-O-gallate and 7TE0-physalin J complexes were found to be −28.08 kcal/mol and −26.62 kcal/mol, respectively. The ΔG produced in paxlovid with complexes 3V3M and 7TE0 was −19.38 kcal/mol and −25.44 kcal/mol, respectively. Physalin F, physalin J, and Vitexin 2”-O-gallate have great potential to become SARS-CoV-2 inhibitor agents. However, in terms of structural stability and binding-active residues, these three compounds do not outperform the active substance in paxlovid.
Studi Kestabilan Zirkonia Terdoping Kation Trivalen melalui Pemodelan Atomistik Akram La Kilo; Triwahyuni S. Umamah; Lukman A. R. Laliyo
Jurnal Kimia Sains dan Aplikasi Vol 22, No 4 (2019): Volume 22 Issue 4 Year 2019
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2640.229 KB) | DOI: 10.14710/jksa.22.4.129-135

Abstract

The aim of this research was to study the stability of the structure of the ZrO2 doped with trivalent oxide Zr1-xMxO2-δ (M = La3+, Nd3+, Sm3+, Eu3+, Gd3+, Y3+, Er3+, Yb3+ and Lu3+ through atomistic modelling and bond valence sum method. Short range potential used in this study was Buckinghams’ potential. Result of geometry optimization at constant pressure shown both cell parameters of ZrO2 was in good agreement with experimental results because of the difference was only 0.11%. Increasing the concentration and the size of substituting dopant of ZrO2 makes the lattice energy of the doped structure was more positive so that the stability of the doped ZrO2 structure decreases. The decrease in the stability of ZrO2 doped with Y3+, Er3+, Yb3+ and Lu3+was smaller than ZrO2 doped with La3+, Nd3+, Sm3+, Eu3+ and Gd3+. BVS results shown that the structure of ZrO2 doped with La3+was not appropriate because it has different value of BVS was more than 0.1
Study on Content of Nitrogen, Phosphorus, and Potassium from Mixed Waste of Empty Fruit Bunch of Oil Palm and Banana Stem as Organic Fertilizer for Tomato Plants Akram La Kilo; Sarmini A Iladat; Hendri Iyabu
Indonesian Journal of Chemistry and Environment Vol 6, No 1 (2023): JUNE 2023
Publisher : Universitas Negeri Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21831/ijoce.v6i1.61232

Abstract

The purpose of this research was to study the levels of nitrogen, phosphorus, and potassium (NPK) contained in organic fertilizer made from a mixture of empty fruit bunch waste from oil palm and banana stems, as well as to determine the effects on the growth and development of tomato plants when applying the organic fertilizer made from the aforementioned mixture. The research involved analyzing the total nitrogen content using the Kjeldahl method, phosphorus (P) using UV-VIS, and potassium (K) using AAS, as well as conducting tomato planting experiments using a growing medium consisting of compost made from the mixture of empty fruit bunch waste from oil palm and banana stems. Based on the research results, it was found that the NPK content of the soil and compost mixture of empty fruit bunch waste from oil palm and banana stems met the SNI 19-7030-2004 standard for nitrogen (N) and phosphorus (P). The growth and development of tomato plants without using the organic fertilizer mixture from the mixture of empty fruit bunch waste from oil palm and banana stems underwent some changes, but the changes occurred at a slower pace compared to using the organic fertilizer mixture from the aforementioned mixture.
Evaluation of gold (au) particle distribution in Grasberg mine material of Freeport Indonesia: fire assay approach Akram La Kilo; Ishak Isa; Muhammad Taufiq Nur
Acta Chimica Asiana Vol. 6 No. 2 (2023)
Publisher : The University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v6i2.165

Abstract

Freeport Indonesia is one of Freeport-McMoRan Copper & Gold Inc. affiliate companies. Freeport Indonesia conducted a series of mining and exploration processes for ore containing gold, silver, and copper. Grasberg is the mining location in PT Freeport, Indonesia. This research aimed to determine the distribution of gold (Au) particles in Grasberg rock samples with relatively high gold content. The method used for analyzing the gold content was Fire Assay. The research results indicated that the sample size affected the gold distribution in Grasberg Mine samples. An uneven distribution tendency of gold was observed in the distribution comparison of Splitter and Screen variations with normal Au content.
Co-Authors Ahmad Kadir Kilo Alberto Costanzo Alberto Costanzo Ambarwati Ambarwati Anita Muhammad Apriani Katili, Yeyen Arsyad, Muhammad Arif M. Arviani Arviani Asisah, Asisah Astin Lukum Bait, Dewimuliawati J. Bambang Prijamboedi Botutihe, Deasy N. Bumulo, Nuraini Christopel, Nelpiani Christopel, Nelpiani D. Mazza D. Mazza, D. Daing, Hardianti Dandi Saputra Halidi Daniele Mazza Daniele Mazza Deasy N Botutihe Deasy Natalia Botutihe Dewi Budi Purwati Dilapanga, Windi Djafar, Yuliyanti Wahab Eka Anggraini Odja Erga Kurniawati Erni Mohamad Fatma Tahir Gonibala, Alfikry Hadis, Sutra S Hendri Iyabu Hendri Iyabu Hidanurhayati, Hidanurhayati Ibrahim, Indriyanti Ika Riyana Tungkagi Ishak Isa Ismunandar Ismunandar Jafar La Kilo Julhim S Tangio Julhim S. Tangio K. Salimi, Yuszda Kadir Kilo, Ahmad Kadir, Ahmad Kamumu, Isal Kostiawan Sukamto, Kostiawan Kupang, Sri Revayana Kusrini Kusrini La Alio La Alio La Ode Aman Lukman A. R. Laliyo Lukman A.R. Laliyo Maksum, M. Junaidi Mangara Sihaloho Mardjan Paputungan Masrid Pikoli Mian Kau Monoarfa, Zunarti P Muhamad Abdulkadir Martoprawiro Muhammad Taufiq Nur Najah, Adilla Syahsiyatun Nelpiani Christopel Netty Ino Ischak Netty Ino Ischak Nita Suleman Nur Fadillah Pulukadang Nurhayati Bialangi Opir Rumape Pahrun, Abdul Wahab Patilima, Rusmiyati Ramona Nintias R. Abas Regina Olii Reski Rahmatia Idris Rusmiyati Patilima S. Gani, Melinda Sabihi, Ismail Saleh, Sri Deltalia Salman, Lismawati Saprini Hamdiani Sarmini A Iladat Siti Romla Maspeke Sri Wanti Sappe Subawa, Kadek Suleman Duengo Suryanto Suryanto Tahir, Wawan Triwahyuni S. Umamah Umar, Ahmat Sudir Weny J.A. Musa Weny J.A. Musa Wiwin Rewini Kunusa Wiwiyani, Wiwiyani Yahyu Tanaiyo Yuszda K Salimi Zaenul Wathoni