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STUDI KOMPUTASI SENYAWA DOPAMIN DAN DOPAMIN-TI(OH)2 UNTUK APLIKASI SEL SURYA TERSENSITASI ZAT WARNA Soni Setiadji; Atthar Luqman Ivansyah; Bio Insan Akbar
JURNAL ISTEK Vol 9, No 2 (2015): ISTEK
Publisher : JURNAL ISTEK

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Penelitian ini memprediksi sifat elektronik (diagram energi HOMO/LUMO, spektrum UV-Vis, dan rapatan orbital HOMO/LUMO) dari senyawa zat warna organik dopamin dan sistem dopamin-Ti(OH)2. Perhitungan komputasi dari sistem dopamin-Ti(OH)2[1], yang memodelkan interaksi senyawa zat warna dengan unit TiO2 paling sederhana dilakukan untuk memprediksi pengaruh zat warna tersebut supaya dapat diaplikasikan dalam sel surya tersensitasi zat warna. Sel surya tersensitasi zat warna merupakan salah satu generasi sel surya yang banyak diteliti sampai saat ini. Sel surya ini menggunakan zat warna sebagai sensitizer dan menjadi sangat menarik untuk dikembangkan karena membutuhkan biaya produksi yang murah namum mampu menghasilkan kinerja yang cukup baik. Dalam penelitian ini perhitungan komputasi dilakukan menggunakan perangkat lunak Firefly dan Gaussian 03W, metoda DFT (teori fungsi rapatan) dan TDDFT (teori fungsi rapatan fungsi waktu), B3LYP/6-31G(d,p) untuk semua atom. Spektrum UV-Vis senyawa dopamin hasil perhitungan komputasi memberikan serapan cahaya pada panjang gelombang 180,36 nm (firefly) dan 183,02 (Gaussian 03W) dengan kekuatan osilator 0,642 (firefly) dan 0,627 (Gaussian 03W). Sedangkan interaksi dopamin-Ti(OH)2 memberikan serapan cahaya pada panjang gelombang yang sedikit lebih besar hingga 181,84 nm dengan kekuatan osilator hampir tetap yaitu 0,650 (firefly), dan bergeser lebih kecil menjadi 181,71 nm dengan kekuatan osilator hampir tetap yaitu 0,675 (gaussian 03W). Diagram energi HOMO/LUMO untuk dopamin dan dopamin-Ti(OH)2 memberikan band gap masing-masing sebesar 0,209 eV dan 0,124 eV.
Investigasi Teoretis Interaksi Nonkovalen antara β-Siklodekstrin dan Hidroksiklorokuin Atthar Luqman Ivansyah
Akta Kimia Indonesia Vol 5, No 2 (2020)
Publisher : LPPM, Institut Teknologi Sepuluh Nopember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12962/j25493736.v5i2.7962

Abstract

There was an outbreak with symptoms similar to SARS caused by the SARS-CoV-2 virus in the People's Republic of China at the end of 2019. The rapid spread of the virus, even in Indonesia, led to a pandemic status being given by the WHO. The use of current medications before a vaccine is identified and ready for help is one alternative to reducing COVID-19 patients. As a candidate for anti-COVID-19 drugs, Hydroxychloroquine has been extensively studied and has now reached the clinical trial stage. Hydroxychloroquine's solubility in water, however, is so limited that it affects its low human body bioavailability. The development of a stable inclusion complex with β-cyclodextrin is one way to increase Hydroxychloroquine's solubility in water. This research investigated the interaction between β-cyclodextrin and Hydroxychloroquine through molecular docking analysis and a semiempirical quantum process. The results of the semiempirical quantum method and the study of molecular docking suggest that β-cyclodextrin and Hydroxychloroquine are a stable inclusion complex. Hydroxychloroquine's solubility in aqueous solution can also be increased by forming an inclusion complex with β-cyclodextrin.
Facile Synthesis of ZnO Nanoparticles for the Photodegradation of Rhodamine-B Tety Sudiarti; Neng Hani Handayani; Yusuf Rohmatulloh; Silmi Rahma Amelia; Ravli Maulana Yusuf; Atthar Luqman Ivansyah
Jurnal Kimia Sains dan Aplikasi Vol 24, No 6 (2021): Volume 24 Issue 6 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (3425.874 KB) | DOI: 10.14710/jksa.24.6.185-191

Abstract

River pollution is a problem that is still very poorly handled. Industrial growth is the most significant contributor to produce this wastewater. The industry produces liquid waste such as dyes that do not meet handling standards because of the high cost. Photocatalyst is way better than other methods such as adsorption, coagulation, fluctuation, and others. However, there are still many shortcomings of the existing methods, such as high cost, high temperature, and dangerous by-products. This research seeks to provide a solution by synthesizing zinc oxide (ZnO) nanoparticles as a photocatalyst to reduce rhodamine B dye under visible light irradiation. ZnO nanoparticles were successfully synthesized through a simple sol-gel method in the form of a white powder by heating at a low temperature, 60°C. The XRD results show that the results have a diffraction peak that follows the standard ZnO with a hexagonal wurtzite crystal structure. According to the Scherrer equation, the crystal has a size of 22.61 nm. SEM analysis showed that the particle morphology and particle size were homogeneous with a spherical shape, ranging from 22-24 nm. Optimal ZnO photocatalytic activity at 90 minutes with an efficiency of 98.83%.
Kajian Teoretis Interaksi Antarmolekul pada Kompleks Inklusi Hidroksipropil-β-Siklodekstrin dan Hidroksiklorokuin Atthar Luqman Ivansyah
al Kimiya: Jurnal Ilmu Kimia dan Terapan Vol 7, No 2 (2020): al Kimiya: Jurnal Ilmu Kimia dan Terapan
Publisher : Department of Chemistry, Faculty of Science and Technology, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/ak.v7i2.10113

Abstract

Di penghujung tahun 2019, terjadi wabah dengan gejala yang mirip dengan SARS di Republik Rakyat China yang disebabkan oleh virus SARS-CoV-2. Penyebaran virus yang masif, termasuk di Indonesia, menyebabkan WHO mengeluarkan status pandemi. Salah satu alternatif untuk mengurangi pasien COVID-19 adalah dengan menggunakan obat-obatan yang ada, hingga vaksin ditemukan dan siap digunakan. Saat ini, hidroksiklorokuin telah banyak diteliti sebagai kandidat obat anti COVID-19, yang kini telah memasuki tahap uji klinis. Namun kelarutan hidroksiklorokuin dalam air sangat kecil sehingga berdampak pada rendahnya ketersediaan hayati dalam tubuh manusia. Salah satu cara untuk meningkatkan kelarutan hidroksiklorokuin dalam air adalah melalui pembentukan kompleks inklusi yang stabil dengan hidroksipropil-β-siklodekstrin. Pada penelitian ini telah dilakukan studi komputasi dengan metode penambatan molekul dan metode kuantum semiempiris untuk mengetahui interaksi antara hidroksipropil-β-siklodekstrin dan hidroksiklorokuin. Hasil studi komputasi ini menunjukkan bahwa hidroksipropil-β-siklodekstrin dan hidroksiklorokuin membentuk kompleks inklusi yang stabil. Selain itu, kelarutan hidroksiklorokuin dalam larutan air dapat ditingkatkan dengan membentuk kompleks inklusi dengan hidroksipropil-β-siklodekstrin.Kata Kunci: Hidroksipropil-β-Siklodekstrin; Hidroksiklorokuin; SARS-CoV-2; COVID-19; Kompleks Inklusi.
Sintesis Zeolit Silikalit-1 Menggunakan Limbah Tongkol Jagung sebagai Sumber Silika Ginawanti Maulida Gunawan; Dede Suhendar; Citra Deliana Dewi Sundari; Atthar Luqman Ivansyah; Soni Setiadji; Yusuf Rohmatulloh
al Kimiya: Jurnal Ilmu Kimia dan Terapan Vol 4, No 2 (2017): al Kimiya: Jurnal Ilmu Kimia dan Terapan
Publisher : Department of Chemistry, Faculty of Science and Technology, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/ak.v4i2.5089

Abstract

Tongkol jagung merupakan limbah agrikultural yang banyak mengandung silika yang pemanfaatannya belum maksimal. Silika dai tongkol jagung dapat menjadi solusi alternatif untuk menggantikan sumber silika komersial. Penelitian ini bertujuan untuk mengisolasi, mensintesis, dan mengkarakterisasi zeolit silikalit-1 dari limbah tongkol jagung. Metode sol-gel digunakan untuk mengisolasi silika yang selanjutnya digunakan untuk sintesis zeolit silikalit-1 dengan metode hidrotermal. Komposisi silika ditentukan oleh X-Ray Fluorescence (XRF). Silika yang dihasilkan sebesar 34,55%. Pengotor utama silika yang dihasilkan dari hasil ekstraksi adalah Na2O sebesar 7,48%. X-Ray Diffraction (XRD) menunjukkan bahwa silika hasil isolasi adalah amorf. Data Fourier Transform InfraRed (FTIR) menunjukkan adanya siloksan dan kelompok silanol didalam silika. X-Ray Diffraction (XRD) menunjukan bahwa zeolit silikalit-1 telah berhasil disintesis dengan ukuran kristal sebesar 15,28 nm. Data Fourier Transform InfraRed (FTIR) menunjukkan adanya gugus D5R pentasil pada zeolit yang dihasilkan. Scanning Electron Microscope (SEM) menunjukan morfologi dari zeolit silikalit-1 berbentuk bola-bola kecil yang merupakan benih kristal heksagonal yang sepenuhnya belum terbentuk.
Pemanfaatan Rumput Gajah sebagai Sumber Silika untuk Sintesis Zeolit T Soni Setiadji; Ani Sri Wahyuni; Dede Suhendar; Citra Deliana Dewi Sundari; Atthar Luqman Ivansyah
al Kimiya: Jurnal Ilmu Kimia dan Terapan Vol 4, No 2 (2017): al Kimiya: Jurnal Ilmu Kimia dan Terapan
Publisher : Department of Chemistry, Faculty of Science and Technology, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/ak.v4i2.5085

Abstract

Zeolit T merupakan salah satu tipe zeolit yang digunakan sebagai bahan membran untuk pemisahan gas. Penggunaan silika sebagai prekursor untuk mensintesis zeolit perlu dioptimalkan. Dalam studi ini, sumber silika diperoleh dengan memanfaatkan bahan yang alami, yakni dari rumput gajah. Silika diperoleh dengan cara isolasi dari abu rumput gajah menggunakan NaOH. Silika yang diperoleh dari hasil isolasi rumput gajah memiliki persentase sebesar 71,91%. Zeolit T di sintesis dengan komposisi molar 1 SiO2 : 0,025 Al : 0,15 Na2O : 0,15 K2O : 15 H2O : dan 0,06 TMAOH dengan proses hidrotermal selama 4 hari, yaitu 2 hari pertama pada temperatur 60oC, dilanjutkan 2 hari berikutnya pada temperatur 120 oC. Proses inkubasi tersebut mentransformasi silika amorf menjadi kristal zeolit T. Zeolit yang dihasilkan dikarakterisasi dengan difraksi sinar-X (XRD) untuk mengkonfirmasi terbentuknya zeolit T, spektroskopi inframerah (FTIR) untuk mengkonfirmasi jenis ikatan yang terbentuk dan mikroskop pemindai elektron (SEM) untuk melihat morfologi zeolit T.
Investigating the Performance of Serial and Parallel Smith-Waterman Algorithm Implementations for Genetic Sequence Alignment Using OpenMPI Fitriani, Nita Dwi; Amelia, Silmi Rahma; Muttaqien, Fahdzi; Ivansyah, Atthar Luqman
CoreID Journal Vol. 2 No. 2 (2024): July 2024
Publisher : CV. Generasi Intelektual Digital

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60005/coreid.v2i2.34

Abstract

Deoxyribonucleic acid (DNA) is composed of nucleotide chains containing nitrogenous bases, phosphate groups, and pentose sugars, with variations primarily occurring in the sequence of nitrogenous bases. The analysis of DNA sequences often employs the Smith-Waterman algorithm for sequence alignment, a fundamental technique in bioinformatics. This research evaluates the performance of the Smith-Waterman algorithm across varying sequence lengths (10, 102, 103, and 104) using both serial and parallel implementations with the OpenMPI library. The study focuses on measuring execution times and speedup on 4, 6, 10, 12, and 24 cores. Results indicate that while execution times increase with longer sequences, parallelization significantly reduces processing time for sequences longer than 102. However, smaller sequences exhibit higher overhead on shorter lengths. The findings underscore the importance of efficient parallel programming and task allocation strategies in optimizing computational performance for DNA sequence analysis.
Akurasi Metode Mesin Pembelajaran dalam Analisis Variabel Penting Faktor Risiko Sindrom Down Palit, Oscar Oleta; Dhenanta, Rafi Prayoga; Susanto, Agnes Indarwati; Syawly, Adzky Matla; Ivansyah, Atthar Luqman; Santika, Aditya Purwa; Arifyanto, Mochamad Ikbal; Muttaqien, Fahdzi
The Indonesian Journal of Computer Science Vol. 13 No. 5 (2024): The Indonesian Journal of Computer Science (IJCS)
Publisher : AI Society & STMIK Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33022/ijcs.v13i5.4354

Abstract

This study aims to identify risk factors for Down syndrome using machine learning methods. Data were obtained from an epidemiological case-control study conducted at Special Needs Schools in the cities and regencies of Tangerang. Methods used include Random Forest, K-Nearest Neighbors, Support Vector Machine (SVM), Naive Bayes, K-Means, Artificial Neural Network (ANN), and Multi-Layer Perceptron (MLP). The results indicate that maternal age, paternal age, and the time interval of parents' work before the child's birth are the most influential factors in the incidence of Down syndrome. The SVM method achieved the highest accuracy of 76% with data categorized into two groups and using important variables. In addition to SVM, Naive Bayes and Random Forest methods also demonstrated good performance for analyzing epidemiological data with case-control types.
Density Functional Theory Investigation of NO2 Gas Adsorption Properties on X12Y12 Nanocages (X= B, In and Y = As, P) Ivansyah, Atthar Luqman; Yustiarini, Riska Cindi; Nasir, Jamal Abdul; Sudiarti, Tety
Jurnal Kartika Kimia Vol 8 No 1 (2025): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v8i1.935

Abstract

This study investigates the structural, electronic, and physical properties of X12Y12 (X = B, In, and Y = As, P) fullerene-like cages for NO2 adsorption. We employ Density Functional Theory (DFT) calculations with B3LYP methods, LANL2DZ basis set, and D4 dispersion correction to explore these properties, including ionization potential and electronic affinity linked to HOMO-LUMO gap energy. Moreover, this study explores global reactivity indices such as chemical potential, ionization potential, hardness, and softness. It also examines electronic properties, such as density of states (DOS), natural bond orbital (NBO), and electrostatic potential (ESP), along with chemical interactions like IGMH and AIMD, within the system. The findings demonstrate that the B12As12 nanocage exhibits high sensitivity to NO2 molecules, as evidenced by the bond interaction and adsorption energy of -273.33 kJ/mol, supported by UV-vis and IRI graphics, with the order of systems from the lowest to the highest adsorption energy toward NO2 : B12P12-NO2 < In12As12-NO2 < In12P12-NO2 < B12As12-NO2. AIMD simulations indicate that all nanocages can effectively adsorb NO2 within varying lengths by 1000 fs. This suggests the potential for high NO2 gas adsorption by the B12As12 nanocage. Further investigation is required to assess the potential of other nanocages.
Use of molecular imprinted polymer for isolation of secondary metabolites in plants for drug raw material independence Gunawan, Untung; Prasetyanto, Eko Adi; Falena, Pretty; Irlianto, Kellie; Ivansyah, Atthar Luqman
Science Midwifery Vol 13 No 4 (2025): Health Sciences and related fields
Publisher : Institute of Computer Science (IOCS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35335/midwifery.v13i4.2077

Abstract

Indonesia, with its rich biodiversity, has numerous plant species with significant therapeutic potential. Secondary metabolites in plants play a vital role in pharmaceuticals, agriculture, and the food industry. However, traditional methods for isolating these compounds are often non-selective, time-consuming, and environmentally unfriendly. Molecularly Imprinted Polymer (MIP) is an emerging method for isolating secondary metabolites due to its selectivity and efficiency. MIP has been successfully applied in the identification and separation of plant-derived compounds, including secondary metabolites, chemical residues, and pesticides. This study explores the use of MIP for isolating secondary metabolites in plants and aims to contribute to developing strategies for obtaining targeted metabolites. The findings also highlight future research opportunities for MIP in industrial applications to support the independence of medicinal raw materials in Indonesia.