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All Journal Jurnal Muara Sains, Teknologi, Kedokteran dan Ilmu Kesehatan Jurnal Layanan Masyarakat (Journal of Public Service) Molekul: Jurnal Ilmiah Kimia Journal of Bio-molecule Research And Engineering
Abdjan, Muhammad Ikhlas
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Humanities Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Environmental Science Immunology & microbiology Materials Science & Nanotechnology Social Sciences Other

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STUDI AKTIVITAS DITIZON SEBAGAI PENGOMPLEKS ION Pb2+ MENGGUNAKAN METODE SPEKTROFOTOMETRI UV-Vis DAN SEMI EMPIRIS AM1 Palupi, Endah Sekar; Sulistyarti, Hermin; Abdjan, Muhammad Ikhlas; Putra, Chairil Anjasmara Robo
Jurnal Muara Sains, Teknologi, Kedokteran dan Ilmu Kesehatan Vol 4, No 2 (2020): Jurnal Muara Sains, Teknologi, Kedokteran dan Ilmu Kesehatan
Publisher : Universitas Tarumanagara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24912/jmstkik.v4i2.8647

Abstract

Environmental pollution is an influx of energy substances, living creatures, or other components into the environment so that the quality of the One type of pollutant is heavy metals lead (Pb). Pb of metal in irrigation found in the form of PbOH+, Pb2+, PBSO4, PbCO+, and PbHCO3. Lead can be analyzed using a UV-Vis spectrophotometer and test kit (colorimetry). The Test kit is created by adding a reagent to the sample so that there is a complex bond that occurs between the reagent and lead. The reagent often used in determining lead analysis is dithizone. Has been conducted to determine the activity of dithizone as a metal ion complex Pb+2 using spectrophotometry UV-Vis. Determination of the activity of dithizone in monomers and after forming complex indicates the concentration optimum of reagent dithizone in solvent 2-propanol is 60 ppm. Time measurement and optimum pH of Pb (II)-dithizone complex is 10 minutes in pH 4 for achieved complex stability. Geometry modeling and electronic transitions monomer Dithizone and Pb (II)-dithizone complex are performed in computing using semi-empirical AM1/SCF (ground state) and AM1/TD-SCF (excited state) methods. The results showed the total energy modeling dithizone: 0266 a.u and Pb (II)-dithizone: 1,125 a.u the ground state. The transition type in each molecule indicates the type of transition n → π ⃰ Orbital molecules involved in the excitation of the electron dithizone are HOMO-6/39, HOMO-2/43, HOMO/45, and LUMO/46. Meanwhile, the Pb (II)-Ditizon complex has 3 orbitals are HOMO-4/85, HOMO/89, and LUMO/90 involved.Keywords: Austin Model 1; Modeling; Pb (II)-Dithizone; UV-Vis Spectrophotometry ABSTRAK Pencemaran lingkungan merupakan masuknya zat, energi, makhluk hidup, atau komponen lain ke dalam lingkungan sehingga kualitas lingkungan turun hingga yang menyebabkan lingkungan menjadi kurang berfungsi lagi sesuai dengan peruntukkannya. Salah satu jenis polutan adalah logam berat Timbal (Pb). Logam Pb diperairan ditemukan dalam bentuk PbOH+, Pb2+, PbSO4, PbCO+, dan PbHCO3. Timbal dapat dianalisis langsung menggunakan spektrofotometer UV-Vis dan tes kit larutan (kolorimetri). Tes kit larutan dibuat dengan cara menambahkan suatu pereaksi pada sampel sehingga terbentuk adanya ikatan kompleks yang terjadi antara pereaksi dengan timbal. Pereaksi yang sering digunakan dalam penentuan analisis timbal yaitu ditizon. Telah dilakukan penentuan aktivitas ditizon sebagai pengompleks ion logam Pb+2 secara spektrofotometri UV-Vis. Hasil penentuan aktivitas ditizon dalam keadaan monomer dan sesudah membentuk kompleks menunjukan konsentrasi pereaski optimum ditizon, yaitu 60 ppm pada pelarut 2-propanol. Pengukuran waktu dan pH optimum pembentukan kompleks menunjukkan bahwa pada waktu 10 menit di pH 4 tercapainya kestabilan kompleks. Pemodelan geometri dan transisi elektronik monomer ditizon dan kompleks Pb(II)-ditizon dilakukan secara komputasi menggunakan metode semi empiris AM1/SCF (ground state) dan AM1/TD-SCF (excited state). Hasil menunjukan energi total pemodelan ditizon: 0.266 a.u dan Pb(II)-ditizon: 1.125 a.u pada ground state. Tipe transisi pada masing-masing molekul menunjukan tipe transisi n→π⃰ Orbital molekul yang terlibat dalam eksitasi elekteron ditizon, yaitu HOMO-6/39, HOMO-2/43, HOMO/45, dan LUMO/46. Sementara itu, kompleks Pb(II)-ditizon terdapat 3 orbital, yaitu HOMO-4/85, HOMO/89, dan LUMO/90 yang terlibat.
The comparative of free energy binding between Pyrimethamine-pDHFR double mutant and Pyrimethamine-pDHFR quadruple mutant: Structure-based approach Abdjan, Muhammad Ikhlas; Aminah, Nanik Siti; Kristanti, Alfinda Novi; Takaya, Yoshiaki; Siswanto, Imam
Journal of Bio-Molecule Research and Engineering Vol 1 No 2 (2022)
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jbiome.v1i2.43982

Abstract

Structure-based was performed to understand the mechanism inhibition of pyrimethamine (CP6) against Plasmodium Falciparum mutants at the molecular level. A molecular docking process was carried out to obtain the initial conformation of each system. The data showed in the form of RMSD values, hydrogen bonds, and grid scores. The results show that the RMSD value in the redocking process meets the criteria of the CP6-1J3J and WRA-1J3K complexes with a value of ≤ 2 í…. Several hydrogen bonds bind to receptor-active sites, including Ile14, Asp50, Ile164, and Asn108. Additionally, the grid score (kcal/mol) binds well on the active site: CP6-1J3J (-46.86), WRA-1J3K (-65.40), and CP6-1J3k (-44.71). Furthermore, molecular dynamics simulation was carried out to determine the free energy (∆Gbind) of each complex using the MM/GBSA approach. The results show ∆Gbind (kcal/mol) in each complex, namely CP6-1J3J (-28.24), WRA-1J3K (-36.62), and CP6-1J3k (-24.23). Information on this research was expected to provide molecular insight into pyrimethamine as an antimalaria inhibitor.
TRAINING ON FOOD PACKAGING FOR MSMEs SENDEN VILLAGE TRENGGALEK BY UNAIR TEAM & PARTNER UNIVERSITIES Aminah, Nanik Siti; Kristanti, Alfinda Novi; Ramadhan, Rico; Hendradi, Rimuljo; Takaya, Yoshiaki; Khoso, Mir Hasan; Baharin, Siti Nor Atika; Abdjan, Muhammad Ikhlas
Jurnal Layanan Masyarakat (Journal of Public Services) Vol. 9 No. 2 (2025): JURNAL LAYANAN MASYARAKAT
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/.v9i2.2025.238-248

Abstract

The International Community Services program (ICS) at Universitas Airlangga, part of the Tri Dharma of the university focusing on community service, aims to enhance human resource capacities within communities. In 2024, the program targeted Senden Village, Kampak sub-District, Trenggalek District, East Java, Indonesia, to assist its MSMEs in overcoming packaging challenges that hinder market interest. Collaborating with domestic and international universities, including Universitas Mayjen Sungkono, SMBBMU University Larkana Pakistan, UiTM Negeri Sembilan Malaysia, UM Malaysia, and Meijo University Japan, the program provided intensive training on innovative and functional packaging techniques. This program was chosen and considered urgent because processed food products produced by local MSMEs are still sold in bulk and packaged haphazardly. Therefore, a touch of hygienic and "eye-catching" packaging technology is needed. Attractive and hygienic packaging technology is expected to increase the selling power of these processed food products. The training included theoretical sessions, focus group discussion (FGD) demonstrations, and the introduction of plastic vacuum sealers to improve product packaging and branding. Food packaging workshop held on July 15, 2024, where participants engaged in hands-on training, group discussions, and label design, resulting in tangible improvements in product marketability. The initiative of this activity is not only to increase the visibility and attractiveness of Senden Village products but also to introduce the natural exotism of the village and local products to the national and international community, encouraging cultural and knowledge exchange. The collaboration of this program strengthens international collaboration and provides invaluable experience for students and lecturers. The successful implementation of this program confirms Airlangga University's commitment to community service and its goal of creating a sustainable positive impact on the village community, which ultimately contributes to the development of better human resources. The training has been carried out very well and each training participant has their own brand with an attractive logo and is hygienically packaged with vacuum technology. All training participants were satisfied with this activity as well as head of village, head of PKK, and all the team involved. They hope that next year's activities can be carried out with other innovations for the progress of Senden village.
DFT-Based Study of Phenolic-Derived From Nutmeg (Myristica fragrans): Promising Bioreductants for Green Synthesis Silver Nanoparticles Nabila, Siti; Abdjan, Muhammad Ikhlas; Rakhman, Khusna Arif; Annisa, Dira Ayu; Mauraji, Ilham SW; Umar, Sudir
Molekul Vol 20 No 3 (2025)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2025.20.3.16203

Abstract

ABSTRACT. The manufacture of silver nanoparticles (AgNPs) can be synthesized by reducing silver ions Ag+ to Ag0 by a reductant. Nutmeg (Myristica fragrans) fruit extract has the potential as a natural reductant (bioreductant) that can donate electrons to reduce Ag+ as a ligand and capping agent. This study aims to identify the potential of the bioactive compounds in Myristica fragrans (Mf) extract for the green synthesis of AgNPs using several parameters, including total energy, HOMO-LUMO, Fukui function, molecular electrostatic potential (MEP), global reactivity, and UV/Vis theoretical spectral analysis. The method used is Density Functional Theory (DFT) with Becke-3-parameter Lee-Yang-Parr (B3LYP) hybrid functionals, using the 6-31G (d,p) basis set for hydrogen (H), carbon (C), oxygen (O) atoms, and the LanL2Dz for the silver (Ag) atom. The results of the study indicate that single bioactive compounds eugenol, chalcone, carvacrol, and terpineol, as well as eugenol-Ag, chalcone-Ag, carvacrol-Ag, and terpineol-Ag complexes, are good reducing agents in the process of reducing Ag+ ions to Ag0 as AgNPs. In addition, these phen-Ag complexes show electron excitation at UV/Vis spectrophotometric simulation in the 454-473 nm wavelength range. This study provides a theoretical understanding of Ag+ reduction by bioactive compounds in Mf extract for green synthesis of AgNPs, thereby providing a scientific basis for developing green methods for eco-friendly, sustainable AgNP synthesis. Keyword: Bioreductant, DFT, green synthesis, Myristica fragrans, silver nanoparticles. .
Co-Authors Alfinda Novi Kristanti Annisa, Dira Ayu Baharin, Siti Nor Atika Hermin Sulistyarti Imam Siswanto Khoso, Mir Hasan Khusna Arif Rakhman, Khusna Arif Mauraji, Ilham SW Nabila, Siti Nanik Siti Aminah Palupi, Endah Sekar Putra, Chairil Anjasmara Robo Rico Ramadhan, Rico Rimuljo Hendradi Sudir Umar Takaya, Yoshiaki