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Synthesis and Characterization of Pyrazine Derived Compounds as Potential Materials for Hole Transporting Layer (HTL) Vety Sri Harlinda Ayudha; Mokhamat Ariefin
Jurnal Kimia Sains dan Aplikasi Vol 23, No 6 (2020): Volume 23 Issue 6 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Three simple compounds that have the potential as a hole transporting layer (HTL) based on pyrazine derivatives conjugated with electron donor groups in the form of triphenylamine have been successfully synthesized and characterized. The synthesis began with a substitution reaction at high temperatures between 4-bromoaniline and 4-iodoanisole to produce 4-bromo-N,N-bis(methoxyphenyl)-aniline, followed by substitution of bromo atoms with tributylstanum at low temperatures and inert atmosphere (N2) producing 4-methoxy-N-(4-(tributylstanyl)phenyl)aniline. The conjugation reaction was carried out through a Stille coupling reaction between 1,2-bis (4-bromophenyl)ethane-1,2-dione with 4-methoxy-N-(4-(tributylstanyl)phenyl) aniline at high temperatures with the aid of a Pd(PPh3)4 catalyst in an inert atmosphere (N2). The reaction was continued with the imination reaction with 3 compounds, i.e., 1,2-diaminobenzene, 3,3-diaminobenzidine and 2,3-diaminopiridin to produce three HTL compounds that were namely 4’,4”-(quinoxaline-2,3-diyl)bis (N,N-bis(4(methoxyphenyl)-[1,1’-biphenyl]-4-amine) (DNB), 4’,4’’’,4’’’’’,4’’’’’’’-([6,6’-biquinoxaline]-2,2’,3,3’-tetrayl) tetrakis(N,N-bis(4-methoxyphenyl)- [1,1’-biphenyl] -4-amine) (bDNB), and 4’,4’’’-(pyrido[2,3-b]pyrazine-2,3-diyl)bis(N,N-bis (4-methoxyphenyl)-[1,1’-biphenyl]-4-amine) (DNP). The optical and electrochemical properties of DNB, bDNB, and DNP were analyzed by UV-Vis and Differential Pulse Voltammetry (DPV). The optical and electrochemical properties show the energy levels of the HOMO and LUMO of the three compounds. Hence their potential can be estimated as HTL compounds. The three compounds show λmax of 348 nm, 356 nm, and 350 nm for DNB, bDNB, and DNP. Based on DPV results, the HOMO values for DNB, bDNB, and DNP are -5.03 eV, -5.02 eV, and -4.98 eV and LUMO values of -2.46 eV, -2.76 eV and -2.87 eV, respectively. The three compounds' thermal properties were analyzed using TGA, with the results showing that the three compounds had good thermal resistance with a decomposition point above 400°C. Based on optical, electrochemical, and thermal analysis, DNB and bDNB have almost the same properties. Thus, it is expected that the three compounds have the potential as HTL material, with DNB and bDNB better than DNP.

Synthesis and Characterization of Benzodithiophene (BDT) Quinoid Compounds as a Potential Compound for n-Type Organic Thin-Film Transistors (OTFT) Mokhamat Ariefin; Vety Sri Harlinda Ayudha
Jurnal Kimia Sains dan Aplikasi Vol 23, No 7 (2020): Volume 23 Issue 7 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Two potential compounds as an n-Type organic thin-film transistor (OTFT) from benzodithiophene (BDT) derivatives have been synthesized and characterized. BDT was chosen as the core because it has π-conjugated bonds, rigid structures, and planar. Quinoid structure with end-cap (terminal group) in the form of dicyanomethylene is used because it can lower the LUMO value of the compound, and side chains are selected in the form of alkoxy so that two BDT derivatives are obtained namely BDTQ-6 (hexyloxy) and BDTQ-10 (decyloxy). Based on the results of TGA, BDTQ-6 and BDTQ-10 have decomposition points of 183°C and 203°C, which indicate the compound has excellent thermal stability. From the UV-Vis measurement, the λmax value of the two compounds is 599 nm with optical gap energy (Eg°pt) of 1.7 eV. From the DPV measurement, the LUMO value for the two compounds is -4.3 eV, with an energy gap (Eg) of 1.69 eV (BDTQ-6) and 1.70 eV (BDTQ-10). Based on observations of the crystal structure through x-ray diffraction, it was found that the BDTQ-10 crystal has a "brick type" layer arrangement with a distance between layers of 3.55 Å. With excellent thermal stability and suitable LUMO values and energy gaps, it is expected that BDTQ-6 and BDTQ-10 compounds have the potential to be n-Type OTFT materials.

Study Natural Compound of Eleutherine americana as a SaR-CoV-2 Therapeutic Agent : In Silico Approach Mokhamat Ariefin; Rizki Rachmad Saputra
ALCHEMY:Journal of Chemistry Vol 11, No 1 (2023): ALCHEMY: JOURNAL OF CHEMISTRY
Publisher : Department of Chemistry, Faculty of Science and Technology UIN Maulana Malik Ibrahim Malan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/al.v11i1.18018

Sar-CoV-2 (COVID-19) has rapidly spread globally where it has killed thousands of individuals and infected almost 1,016,395 others. Numerous people have died as a result of what the World Health Organization (WHO) has deemed a top worldwide health issue, which has also had severe detrimental social and economic impacts. Some Eleutherin americana are said to possess antiviral effects. Children's colds and nasal congestion can be treated with eleutherin americana. Naphthalene, anthraquinone, and naphtoquinone are the three main chemical families that have been identified from E. americana. Eleutherol, hongconin, isoeleutherol, and eleutherin were the compounds that were identified from E. Americana. Drug-receptor interactions are simulated using computational techniques toward 14 compounds isolated from E. americana. The docking method has been validated by redocking the N3 molecule as a native ligand to the Mpro of Sar-CoV-2 (PDB ID: 7BQY) as a receptor protein. The smaller the RMSD value 0.651 Å, the better the pose obtained through the docking process. Compound 12 has a more negative binding energy are showed -8.6 kcal mol-1, regarding to hydrogen bond interaction toward Thr26, His41, Leu141, Asn142, Gly143, Ser144, His163. The stability of the association between the ligand and receptor increases with decreasing binding energy value (∆G). On the other hand, Compounds 11 and 2 are depicted -8.2 kcal mol-1 and -8.1 kcal mol-1 respectively which close to N3 -8.3 kcal mol-1. Undergoing hydrogen bond interaction between 11 with Gly143,Thr26, Leu141, Glu166, Ser144, Cys145, His163, and less hydrogen bond interaction 2 toward Arg188 and Asn 142. Those result resembling hydroxy group have the best interaction with 7BQY. According to fulfilled data from three candidates 2, 11, 12, it can be expected that compound with many hydroxy groups are within realm of possibility as antiviral agent for Sar-CoV-2 through inhibit replication of this virus.

Molecular Modelling Based on TD-DFT Applied to UV Spectra of Coumarin Derivatives Mokhamat Ariefin; Rokiy Alfanaar
Walisongo Journal of Chemistry Vol 6, No 1 (2023): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v6i1.15696

The optimization of geometry and electronic transition of seven coumarin derivatives for sunscreen activity have been conducted using Orca. DFT methods is applied to find optimum geometry and parameter data is measured like bond length and bond angle. TD-DFT is conducted to get electronic transition to get ultraviolet (UV) spectra. The result shows that the coumarin derivative transition type is n to π* and π to π*. All coumarin exhibits the properties of UV-B protection, however, two out of seven show properties as a UV-A protection. The energy difference HOMO-LUMO shows that coumarin with isopropyl substituent has the smallest energy gap, around 0.1559, whereas coumarin with fluorine atom substituent has the biggest energy gap.

A Desaign of Caffeate Acid Derivatives for Anticancer based on DFT Molecular Docking: Studi Senyawa Turunan Asam Kafeat sebagai Antikanker: Pendekatan DFT dan Molecular Docking Efriyana Oksal; Mokhamat Ariefin; Marvin Horale Pasaribu
Jurnal Jejaring Matematika dan Sains Vol. 5 No. 1 (2023): Jurnal Jejaring Matematika dan Sains
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Palangka Raya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36873/jjms.2023.v5.i1.804

This research informs a descriptive study of caffeic acid derivatives such as ethyl caffeate, fluoro methyl caffeate, chloro methyl caffeate, bromo methyl caffeate, iodo methyl caffeate compounds, using density functional theory in B3LYP method with def2-TZVP basis set. The substitution of various halide atoms in the derivative compounds showed a high increase in chemical reactivity than the methyl group for the main compound by increasing the electron donor ability of the compound in chemical reactions. The molecular structures of some derivative compounds were optimized with geometrical analysis values depicting stable molecular structures with lower HOMO-LUMO energy difference. Quantum chemical parameters such as hardness (η), softness (σ), electronegativity (χ), and electrophilicity (ω) were generated as descriptors for the chemical behavior of the molecules. The FT-IR vibrational frequencies that have been calculated and characterized are in good agreement with the molecular structure. The molecular docking results show that the five ligands are able to interact with amino acid residues similar to the amino acids of the native ligand. The binding energy values for the five native ligands are -6.5, -6.8, -6.6, -6.5, and -6.4 kcal mol-1. Furthermore, binding and interaction values similar to the native ligand, it is expected that the five ligands have potential as anticancer.

Penyuluhan Penentuan Kualitas Air Tanah di Wilayah Perumahan Grand Sanur Griya Tama II Palangka Raya Rokiy Alfanaar; Fatchiyatun Ni’mah; Marvin Horale Pasaribu; Tety Wahyuningsing Manurung; Mokhamat Ariefin; Efriyana Oksal
Nanggroe: Jurnal Pengabdian Cendikia Vol 2, No 4 (2023): July
Publisher : Yayasan Daarul Huda Kruengmane

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5281/zenodo.8165319

Water, the primary need of living things, is indispensable for humans. The use of water is a common thing in the community. One of the community environments that needs water is housing. Grand Sanur Griya Tama II Housing Estate, a housing estate in Palangka Raya City, is one of the places that utilize groundwater to meet clean water needs. In this service, counselling is carried out by determining groundwater quality based on physical and chemical parameters. The community service results show that the groundwater quality in the housing is in accordance with quality standards.

Immobilization of Dibenzalacetone on TiO2 Surface and its Potential as Anti-UV Material Mokhamat Ariefin; Rokiy Alfanaar
CHEMPUBLISH JOURNAL Vol. 7 No. 1 (2023): Chempublish Journal
Publisher : Department of Chemistry, Faculty of Science and Technology Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/chp.v7i1.26109

Sunlight has been known to provide many benefits to human life. However, behind these benefits, there are some negative effects along with the destruction of the ozone layer and the environment on earth. One of them is exposure to ultraviolet (UV) rays which can cause several diseases such as skin cancer. One way to overcome this is by using sunscreen substances. In this study, dibenzalacetone immobilization on TiO2 has been carried out for anti-UV applications. Based on the test results using UV-Vis spectrometry, TiO2, and dibenzalacetone both have anti-UV properties with maximum peaks at wavelengths of 335 nm and 346 nm with absorbance values of 0.871 and 1.197. Immobilization of TiO2 with dibenzalacetone gives an absorbance with a value of 1.221 at a wavelength of 329. These results indicate that TiO2 immobilization with dibenzalacetone provides better anti-UV A properties than TiO2 because of the higher absorbance value.

Penyuluhan Penentuan Kualitas Air Tanah di Wilayah Perumahan Grand Sanur Griya Tama II Palangka Raya Rokiy Alfanaar; Fatchiyatun Ni’mah; Marvin Horale Pasaribu; Tety Wahyuningsing Manurung; Mokhamat Ariefin; Efriyana Oksal
Nanggroe: Jurnal Pengabdian Cendikia Vol 2, No 4 (2023): July
Publisher : Yayasan Daarul Huda Kruengmane

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5281/zenodo.8165319

Water, the primary need of living things, is indispensable for humans. The use of water is a common thing in the community. One of the community environments that needs water is housing. Grand Sanur Griya Tama II Housing Estate, a housing estate in Palangka Raya City, is one of the places that utilize groundwater to meet clean water needs. In this service, counselling is carried out by determining groundwater quality based on physical and chemical parameters. The community service results show that the groundwater quality in the housing is in accordance with quality standards.

KAJIAN KUALITAS AIR SUMUR PADA PERMUKIMAN BARU KELURAHAN JEKAN RAYA PALANGKA RAYA SERTA KAITANNYA DENGAN SUMBER AIR BERSIH WARGA Marvin Horale Pasaribu; Tety Wahyuningsih Manurung; Mokhamat Ariefin
Jurnal Bakti untuk Negeri Vol 3 No 2 (2023): JBN
Publisher : Sekolah Tinggi Ilmu Kesehatan ISFI Banjarmasin

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36387/jbn.v3i2.1573

Clean water is a fundamental requirement for human life. People depend on easy and safe access to clean water to fulfill their daily needs. Palangka Raya is the capital city of Central Kalimantan Province and is also affected by the process of moving the National Capital City (IKN) to Kalimantan. The population growth rate is increasing every year, accompanied by an increasing number of settlements in Palangka Raya. Its area is mostly peatland, so its surface water affects the well water used by many newly established settlements as a source of clean water for its citizens. In this service, the method is sampling residential healthy water, analyzing water samples, and counseling residents. Water analysis shows that healthy water is quite suitable for hygiene and sanitation purposes but not for consumption according to clean water quality standards based on Permenkes No. 32 of 2017. The results of the socialization showed an increase in the level of understanding of residents on healthy water quality. This activity is expected to help the government improve the Casadova residents' health. It is expected to increase the knowledge and awareness of residents about the proper use of well water and maintaining the quality of healthy water.

Theoritical Studies of Corossion Inhibition of Coumarin and Coumarin Derivative on Iron by Density Functional Theory Approaches Ariefin, Mokhamat; Pasaribu, Marvin Horale
Al-Kimia Vol 11 No 1 (2023): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v11i1.38217

Corrosion of iron is a persistent problem that affects its structural integrity and durability in various industrial applications. The design of effective corrosion inhibitors is crucial for mitigating aluminum corrosion. In recent years, coumarin derivatives have shown promising potential as corrosion inhibitors for iron due to their unique chemical properties. In this research, we employ density functional theory (DFT) calculations to investigate electrochemical parameters of coumarin derivatives on iron corrosion. Coumarin (a) and its derivative: hymechromone (b), esculetin (c), and scopoletin (d) are analyzed using DFT calculation. Some descriptor is used to identify such as ionisation energy (I), electron affinity (A), EHOMO, ELUMO, Egap, electronegativity ( ), hardness ( ), number of fraction electron transferred ( N). Based on the EHOMO, ELUMO, Egap, electronegativity ( ), hardness ( ), the order of inhibitor potential of coumarin and it derivative is c > d > b > a. However, based on the number of fractional electrons transferred ( N), the potential inhibitor of coumarin and it derivative are c > b > d > a.

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