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QSAR, ADMET, and Molecular Docking of Pyrazole Carboxamide Derivatives as Potential Antifungals Against the Fungus Rhizoctonia solani Aziz, Hafiz Aji; Sari, Adani Ghina Puspita; Al-Ghani, Ranggaweny; Novianti, Tria Nurwina
Jurnal Kartika Kimia Vol 7 No 1 (2024): 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.v7i1.234

Abstract

Sheath blight is generally caused by the fungus R. solani. The emergence of this fungus causes losses for farmers due to reduction of grain crops (cerelia) production such as rice. Thus, the use of antifungal compounds containing succinate dehydrogenase inhibitors is an effort to control sheath blight of the fungus R. solani. This research examines a new pyrazole carboxamide derivative designed as a succinate dehydrogenase inhibitor. Antifungal activity value prediction was determined using the Quantitative Structure-Activity Relationship (QSAR) equation and visualization of the interaction of pyrazole carboxamide derivatives with succinate dehydrogenase inhibitors was determined using molecular docking. A total of 29 pyrazole carboxamide derivatives and activities (EC50) were used in this study for QSAR modelling and molecular docking. The structure was optimized using the DFT/B3LYP/LanL2DZ method as an electronic descriptor calculation and QSAR modelling using the Multiple Linear Regression (MLR) method. The MLR test shows a valid QSAR equation model with good modelling accuracy and produces an equation logEC50 = 2.3936( 0.9447)[C13] + 9.1367 ( 3.0682)[C10] + 2.2473( 0.6055)[HOMO] - 48.1289( 14.1289)[C4] + 1.3937( 0.9465)[C14] + 28.3750( 6.6731) with R2tr = 0.8911; Q2 = 0.793; F = 28.079; R2val = 0.9908; and RMSE = 0.3450. ADMET analysis using ADMETlab indicated that the new pyrazole carboxamide derivative complies with Lipinski's rules, is moderately carcinogenic, and includes inhibiting the activity of hERG blockers. The new pyrazole carboxamide derivatives that have potential as succinate dehydrogenase inhibitors were determined based on the interaction of the docking results, namely compound A1, A5, and A7 -4.9, -5.1, and -5.3 kcal/mol, respectively.
A Review: Synthesis, Recent Application and Future Challenge of SiO2 Nanoparticles in Membrane Technology Widiyanti, Silvia; Iasha, Yurin Karunia Apsha Albaina; Ashfiya, Putri Sayyida; Khoerunnisa, Fitri; Nurhayati, Mita; Hendrawan, Hendrawan; Sonjaya, Yaya; Aziz, Hafiz Aji
Jurnal Kartika Kimia Vol 7 No 1 (2024): 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.v7i1.255

Abstract

Membrane processes are well-established methods in real water treatment, renowned for their compact size, exceptional treatment effectiveness, and substantial water permeation capacity. The emergence of nanomaterials has ushered in thrilling prospects and progress in the membrane technology. Silica nanoparticles (NPs SiO2), a high-purity amorphous silica powder, is a white fluffy material characterized by its small particle size, and it brings numerous benefits due to its distinctive attributes. With a large specific surface area, strong surface adsorption, considerable surface energy, high chemical purity, and excellent dispersion, it holds significant value in diverse areas like medicine, physics, chemistry, and biology. NPs-SiO2 can be categorized into hydrophilic and hydrophobic types, which offers difference application in the membrane technology. In this review, NPs-SiO2 contained membranes are specifically discussed. The main goal is to provide critical analysis on recent application of SiO2 in membrane technology. Apart from the introduction and conclusion, this review has three consecutive parts including The synthesis methods of NPs-SiO2 contained membrane including size of the NPs-SiO2 that is mostly used in membranes, the application of the hydrophobic and hydrophilic NPs-SiO2 in the membrane technology, and the future challenge of NPs-SiO2 used in membrane technology.
Workshop on Increasing Teacher Literacy and Critical Thinking Skills on the Topic of Colligative Properties of Solutions [Lokakarya Peningkatan Literasi dan Keterampilan Berpikir Kritis Guru Pada Topik Sifat Koligatif Larutan] Munawaroh, Heli S.H; Liliasari, Liliasari; Sholihin, Hayat; Sumarna, Omay; Setiadi, Rahmat; Widhiyanti, Tuszie; Aziz, Hafiz Aji; Rahayu, Iqlima; Cahyani, Popi; Wulandari, Sarah Ayu
Jurnal Pengabdian Isola Vol 1, No 2 (2022): JPI: VOLUME 1, ISSUE 2, 2022
Publisher : Universitas Pendidikan Indonesia (UPI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17509/jpi.v1i2.52437

Abstract

Literasi sains dan keterampilan berpikir merupakan kemampuan yang sangat diperlukan pada masyarakat modern. Terdapat berbagai masalah yang hanya dapat diselesaikan dengan melibatkan kedua hal tersebut. Namun peningkatan kedua kemampuan tersebut bukanlah hal yang mudah. Salah satu metode yang telah terbukti dapat digunakan untuk meningkatkan hal aspek tersebut adalah Pembelajaran Berbasis Masalah (Problem Based Learning, PBL). Metode PBL telah dilaporkan untuk dapat meningkatkan berbagai aspek dalam kemampuan peserta didik pada banyak topik, termasuk sifat koligatif larutan. Kegiatan pengabdian ini bertujuan untuk meningkatkan literasi dan keterampilan berpikir kritis pada guru dengan harapan hal ini meningkatkan kompetensi mereka sehingga dapat meningkatkan kualitas luaran peserta didik. Kegiatan pengabdian dilakukan dalam waktu setara dengan 32 jam kegiatan (JP) yang terdiri atas 8 jam kegiatan daring synchronous, 8 jam kegiatan luring, dan 16 jam kegiatan daring asynchronous. Luaran yang dihasilkan dari kegiatan ini salah satunya adalah berupa Rencana Pelaksanaan Pembelajaran (RPP) pada topik sifat koligatif larutan yang berbasis pada PBL. Para peserta lokakarya memperoleh masukan terkait konten dan metode pembelajaran yang dapat diterapkan di sekolah mereka masing-masing, sedangkan tim pelaksana memperoleh komentar dan saran yang dapat menjadi bahan pertimbangan untuk kegiatan berikutnya.Scientific literacy and critical thinking are essential skills that in modern society. There are myriads of problem that solvable if only if those skills are used. However, increasing those skills is not an easy task. One method that have been proven to work is using Problem Based Learning (PBL). This method has been reported to increase several aspects and skills in students in many topics including colligative properties. This community service program aims to increase scientific literacy and critical thinking skills in teacher with the hope that it could increase the outcome of the learning qualities. The program executed with the equivalent of 32 hours (JP) total of program time. The program is split into 8 JP of online synchronous program, 8 JP of offline program, and 16 JP of online asynchronous program. One of the expected outputs of the program is PBL based learning plan (Rencana Pelaksanaan Pembelajaran, RPP) on the topic of colligative properties. Participants of this workshops are given input on the contents and learning methods that then can be used in their own school while the organizers’ team are given comments and input that can then implemented for the improvement of the program.
Review on Synthesis, Properties, and Performances of Polymer/ Metal Organic Framework (MOF) composites membranes for water filtration application Ashfiya, Putri Sayyida; Khoerunnisa, Fitri; Nurhayati, Mita; Kadarohman, Asep; Sanjaya, Eli Hendrik; Hendrawan, Hendrawan; Sonjaya, Yaya; Aziz, Hafiz Aji; Annifah, Riri Uswatun; Iasya, Yurin Karunia Apsha Albaina
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.v8i1.871

Abstract

Mixed matrix membranes (MMMs) have gained considerable attention as a cutting-edge filtration technology, leveraging the combined advantages of polymer and inorganic fillers. Metal-organic frameworks (MOFs), as a nanoporous materials, are regarded as highly effective fillers in MMM, significantly enhancing molecular separation efficiency. This article provides a comprehensive review of the synthesis, properties, and performance of polymer/MOFs-based MMMs. A comprehensive literature search was conducted using ScienceDirect and Google Scholar with keywords such as metal-organic framework, MMMs, polymers, filler, and membrane filtration. Polymer/MOFs-based MMMs are synthesized using techniques including in situ and layer-by-layer assembly methods. The MMMs exhibit porosity distribution ranges from57 to 78.3%, contact angle ranges from 45° to 75.27°. The MMMs have also demonstrated exceptional performance in water permeability and bovine serum albumin (BSA)/salts rejection reached up to 94.03 L/m2.h and 99.8%, respectively. These finding highlight the significant potential of polymer/MOFs-based MMMs for advanced water filtration application.