Pub Date : 2022-07-04DOI: 10.14710/jksa.25.6.205-211
Jumaeri Jumaeri, Akhsanun Nadiyya, A. Prasetya, W. Sumarni
The study of Mg(OH)2 from seawater bittern as an adsorbent for Congo red (CR) from an aqueous solution has been performed. This study aimed to determine the effect of pH, contact time, and initial CR concentration on CR adsorption by Mg(OH)2. The adsorption kinetics and isotherms of CR on Mg(OH)2 in an aqueous solution were also studied. The optimum adsorption was obtained at pH 8 within 90 minutes of contact time with an adsorption capacity of 46.3 mg/g for an initial CR concentration of 29 mg/L. The adsorption process followed the Freundlich isotherm model with an n value of 2.579 and the pseudo-second-order kinetic model with a k2 value of 0.0021 g mg−1min−1.
研究了海水卤水中Mg(OH)2作为刚果红(CR)的吸附剂。本研究旨在确定pH、接触时间和初始CR浓度对Mg(OH)2吸附CR的影响。研究了CR在水溶液中对Mg(OH)2的吸附动力学和等温线。当初始CR浓度为29 mg/L时，在pH为8的条件下，吸附时间为90 min，吸附量为46.3 mg/g。吸附过程符合Freundlich等温模型(n值为2.579)和拟二级动力学模型(k2值为0.0021 g mg−1min−1)。
{"title":"Congo Red Dye Adsorption using Magnesium Hydroxide from Seawater Bittern","authors":"Jumaeri Jumaeri, Akhsanun Nadiyya, A. Prasetya, W. Sumarni","doi":"10.14710/jksa.25.6.205-211","DOIUrl":"https://doi.org/10.14710/jksa.25.6.205-211","url":null,"abstract":"The study of Mg(OH)2 from seawater bittern as an adsorbent for Congo red (CR) from an aqueous solution has been performed. This study aimed to determine the effect of pH, contact time, and initial CR concentration on CR adsorption by Mg(OH)2. The adsorption kinetics and isotherms of CR on Mg(OH)2 in an aqueous solution were also studied. The optimum adsorption was obtained at pH 8 within 90 minutes of contact time with an adsorption capacity of 46.3 mg/g for an initial CR concentration of 29 mg/L. The adsorption process followed the Freundlich isotherm model with an n value of 2.579 and the pseudo-second-order kinetic model with a k2 value of 0.0021 g mg−1min−1.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43289566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-24DOI: 10.14710/jksa.25.8.270-279
Jefry Presson, Yohana Ivana Kedang, Maria Lilita Guterres, R. E. Adu, Elisabeth Korbafo, Heri Suseno
The demand for biodiesel in the renewable energy sector continues to grow yearly. However, the majority of biodiesel sources currently still compete with the food sector. Feun Kase seeds contain high oil and do not compete with food, so they have prospects as a new source of biodiesel. This study aimed to find the optimal conditions for synthesizing biodiesel from Feun Kase seed oil, carried out through transesterification with four reaction variables: catalyst variation, time, temperature, and the molar ratio of oil/methanol. This study was equipped with parameter test data according to SNI (Indonesian National Standard) 7182:2015, also equipped with characterization using FTIR (Fourier Transform Infrared) and GCMS (Gas Chromatography Mass Spectroscopy). The highest biodiesel yield of 84.09% was obtained using optimum conditions of 1% NaOH catalyst, oil/methanol molar ratio of 1:6 at 70°C for 90 minutes of reaction. The test results of biodiesel parameters are density (851 kg/m3), smoke point (6°C), kinematic viscosity (5.35 cSt); acid number (1.08 mg KOH/gr), saponification number (159.32 mg KOH/gr), iodine number (78.62 g I2/100 g sample), flash point (165°C), and cetane number (62.86). FTIR analysis proved the presence of methyl esters with typical absorption at 1743 cm-1, 1195.87 cm-1, and 1436.97 cm-1. GCMS characterization showed that Feun Kase biodiesel was dominated by methyl oleate (53.45%), methyl palmitate (27.05%), methyl stearate (10.96%), and methyl linoleate (6.29%).
{"title":"Synthesis of Biodiesel from Feun Kase (Thevetia peruviana) Seed Oil Using NaOH Catalyst","authors":"Jefry Presson, Yohana Ivana Kedang, Maria Lilita Guterres, R. E. Adu, Elisabeth Korbafo, Heri Suseno","doi":"10.14710/jksa.25.8.270-279","DOIUrl":"https://doi.org/10.14710/jksa.25.8.270-279","url":null,"abstract":"The demand for biodiesel in the renewable energy sector continues to grow yearly. However, the majority of biodiesel sources currently still compete with the food sector. Feun Kase seeds contain high oil and do not compete with food, so they have prospects as a new source of biodiesel. This study aimed to find the optimal conditions for synthesizing biodiesel from Feun Kase seed oil, carried out through transesterification with four reaction variables: catalyst variation, time, temperature, and the molar ratio of oil/methanol. This study was equipped with parameter test data according to SNI (Indonesian National Standard) 7182:2015, also equipped with characterization using FTIR (Fourier Transform Infrared) and GCMS (Gas Chromatography Mass Spectroscopy). The highest biodiesel yield of 84.09% was obtained using optimum conditions of 1% NaOH catalyst, oil/methanol molar ratio of 1:6 at 70°C for 90 minutes of reaction. The test results of biodiesel parameters are density (851 kg/m3), smoke point (6°C), kinematic viscosity (5.35 cSt); acid number (1.08 mg KOH/gr), saponification number (159.32 mg KOH/gr), iodine number (78.62 g I2/100 g sample), flash point (165°C), and cetane number (62.86). FTIR analysis proved the presence of methyl esters with typical absorption at 1743 cm-1, 1195.87 cm-1, and 1436.97 cm-1. GCMS characterization showed that Feun Kase biodiesel was dominated by methyl oleate (53.45%), methyl palmitate (27.05%), methyl stearate (10.96%), and methyl linoleate (6.29%).","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43385356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-23DOI: 10.14710/jksa.25.5.185-191
Nelly Oscifiani, Noval Herfindo, Rahayu Rahayu, N. Frimayanti, A. Zamri
The tyrosinase enzyme plays an essential role in the pigmentation of human skin, fruits, and vegetables. It has been tied with several human skin diseases and post-harvest problems. Hence, the tyrosinase enzyme becomes an excellent therapeutic target to overcome these issues. This study aimed to screen tyrosinase inhibitors by synthesizing halogen-substituted pyrazolopyridine derivatives. The pyrazolopyridine compound was obtained through two stages of synthesis. First, the intermediate compound, a derivative of 3,5-bis(arylidene)-4-piperidone, was synthesized through the Cleisen-Schmidt condensation reaction of 4-piperidone and benzaldehyde derivatives. Furthermore, the intermediate compound was reacted with phenylhydrazine through a cyclocondensation reaction to produce the titled compound with an 11% yield. The chemical structure of the target compound was identified through the interpretation of UV, FTIR, NMR, and HRMS spectra. Then an in vitro assay was conducted on the tyrosinase enzyme of the fungus Agaricus bisporus by detecting the presence of dopachrome at a wavelength of 492 nm. As a result, the in vitro assay showed that the titled compound had a weak inhibitory activity, and the IC50 value was > 500 µM. Thus, the synthesized compound is considered inactive.
{"title":"Synthesis and Tyrosinase Inhibitory Activity of (E)-5-Benzyl-7- (3-Bromobenzylidene)-3-(3-Bromophenyl)-2-Phenyl-3,3a, 4,5,6,7-Hexahydro-2H-Pyrazolo[4,3-c]Pyridine","authors":"Nelly Oscifiani, Noval Herfindo, Rahayu Rahayu, N. Frimayanti, A. Zamri","doi":"10.14710/jksa.25.5.185-191","DOIUrl":"https://doi.org/10.14710/jksa.25.5.185-191","url":null,"abstract":"The tyrosinase enzyme plays an essential role in the pigmentation of human skin, fruits, and vegetables. It has been tied with several human skin diseases and post-harvest problems. Hence, the tyrosinase enzyme becomes an excellent therapeutic target to overcome these issues. This study aimed to screen tyrosinase inhibitors by synthesizing halogen-substituted pyrazolopyridine derivatives. The pyrazolopyridine compound was obtained through two stages of synthesis. First, the intermediate compound, a derivative of 3,5-bis(arylidene)-4-piperidone, was synthesized through the Cleisen-Schmidt condensation reaction of 4-piperidone and benzaldehyde derivatives. Furthermore, the intermediate compound was reacted with phenylhydrazine through a cyclocondensation reaction to produce the titled compound with an 11% yield. The chemical structure of the target compound was identified through the interpretation of UV, FTIR, NMR, and HRMS spectra. Then an in vitro assay was conducted on the tyrosinase enzyme of the fungus Agaricus bisporus by detecting the presence of dopachrome at a wavelength of 492 nm. As a result, the in vitro assay showed that the titled compound had a weak inhibitory activity, and the IC50 value was > 500 µM. Thus, the synthesized compound is considered inactive.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47301667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-23DOI: 10.14710/jksa.25.5.192-196
D. Dahnum, E. Agustian, E. Triwahyuni, Anis Kristiani, R. Maryana, Y. Sudiyani
Lignin, the second most abundant natural polymeric globally, is considered the source of the renewable aromatic compound. It serves as an alternative feedstock for the elaboration of chemicals and polymers. However, even until now, it is still primarily used as a low-value fuel for boilers. In the current research, alkaline lignin was modified and used as an adsorbent for removing lead (Pb) in an aqueous solution. The functionalized alkaline lignin (FAL) was prepared by a Mannich reaction with formaldehyde and dimethylamine, followed by esterification of carbon disulfide. The FAL was characterized using CHN elemental analysis, X-Ray Fluorescence (XRF), Scanning Electron Microscopy (SEM), and Fourier Transform Infrared (FT-IR) to observe the changes in composition, morphology, and chemical structure. The analysis revealed that alkaline lignin was successfully modified using amine and carbon disulfide. The adsorption study shows that the lead concentration reduced to 93.7% after 2 hours in contact with FAL. The FAL adsorption capacity could obtain 0.44 mmol/g of lead.
{"title":"Functionalized Alkaline Lignin for Removal of Lead in Aqueous Solution","authors":"D. Dahnum, E. Agustian, E. Triwahyuni, Anis Kristiani, R. Maryana, Y. Sudiyani","doi":"10.14710/jksa.25.5.192-196","DOIUrl":"https://doi.org/10.14710/jksa.25.5.192-196","url":null,"abstract":"Lignin, the second most abundant natural polymeric globally, is considered the source of the renewable aromatic compound. It serves as an alternative feedstock for the elaboration of chemicals and polymers. However, even until now, it is still primarily used as a low-value fuel for boilers. In the current research, alkaline lignin was modified and used as an adsorbent for removing lead (Pb) in an aqueous solution. The functionalized alkaline lignin (FAL) was prepared by a Mannich reaction with formaldehyde and dimethylamine, followed by esterification of carbon disulfide. The FAL was characterized using CHN elemental analysis, X-Ray Fluorescence (XRF), Scanning Electron Microscopy (SEM), and Fourier Transform Infrared (FT-IR) to observe the changes in composition, morphology, and chemical structure. The analysis revealed that alkaline lignin was successfully modified using amine and carbon disulfide. The adsorption study shows that the lead concentration reduced to 93.7% after 2 hours in contact with FAL. The FAL adsorption capacity could obtain 0.44 mmol/g of lead.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49405547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-18DOI: 10.14710/jksa.25.5.169-178
Shobiroh Nuur' Alimah, T. Sumaryada, W. Nurcholis, L. Ambarsari
Glucose oxidase (GOD) is an oxidoreductase enzyme that catalyzes the oxidation of glucose to gluconolactone and hydrogen peroxide. Then, gluconolactone will be hydrolyzed to gluconic acid. The wide application of gluconic acid in various industries has increased production demand. However, glucose concentrations higher than 40% (w/w) inhibited the conversion of glucose to gluconic acid due to a decrease in the oxygen solubility concentration at pH 6, 30℃, and 1 bar pressure. Therefore, decreasing the value of Km is predicted to reduce saturation and enhance gluconic acid production. This study aimed to analyze the interaction between the IPBCC.08.610 GOD mutant with β-D-Glucose in improving gluconic acid production by decreasing the Km value. Mutations were performed in silico using Chimera and then docked using AutoDock Vina. The mutations resulted in distinct ligand poses in the binding pocket, different -OH conformations of the ligands, and changes in the T554M/D578P mutant’s hydrophobicity index (554 mutated from threonine to methionine, and 578 mutated from aspartate to proline), and decreased ΔG and Km values in the H559D mutant (559 mutated from histidine to aspartate), D578P and T554M/D578P. This decrease might strengthen the ligand-receptor interaction, increasing gluconic acid production. The H559D was the best mutant to increase production based on the ΔG, Km value, and stability due to the addition of hydrogen bonds.
{"title":"Molecular Docking Study of IPBCC.08.610 Glucose Oxidase Mutant for Increasing Gluconic Acid Production","authors":"Shobiroh Nuur' Alimah, T. Sumaryada, W. Nurcholis, L. Ambarsari","doi":"10.14710/jksa.25.5.169-178","DOIUrl":"https://doi.org/10.14710/jksa.25.5.169-178","url":null,"abstract":"Glucose oxidase (GOD) is an oxidoreductase enzyme that catalyzes the oxidation of glucose to gluconolactone and hydrogen peroxide. Then, gluconolactone will be hydrolyzed to gluconic acid. The wide application of gluconic acid in various industries has increased production demand. However, glucose concentrations higher than 40% (w/w) inhibited the conversion of glucose to gluconic acid due to a decrease in the oxygen solubility concentration at pH 6, 30℃, and 1 bar pressure. Therefore, decreasing the value of Km is predicted to reduce saturation and enhance gluconic acid production. This study aimed to analyze the interaction between the IPBCC.08.610 GOD mutant with β-D-Glucose in improving gluconic acid production by decreasing the Km value. Mutations were performed in silico using Chimera and then docked using AutoDock Vina. The mutations resulted in distinct ligand poses in the binding pocket, different -OH conformations of the ligands, and changes in the T554M/D578P mutant’s hydrophobicity index (554 mutated from threonine to methionine, and 578 mutated from aspartate to proline), and decreased ΔG and Km values in the H559D mutant (559 mutated from histidine to aspartate), D578P and T554M/D578P. This decrease might strengthen the ligand-receptor interaction, increasing gluconic acid production. The H559D was the best mutant to increase production based on the ΔG, Km value, and stability due to the addition of hydrogen bonds.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43909275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-18DOI: 10.14710/jksa.25.5.179-184
Arnelli Arnelli, Sri Guswini, A. Suseno
The synthesis of surfactant-modified activated carbon (SMAC) has been widely studied. However, no research has been conducted to study SMAC concentrations higher than the critical micellar concentration. Therefore, in this study, SMAC was synthesized using anionic and cationic surfactants above CMC (Critical Micelle Concentration) and compared with SMAC below CMC and coconut husk-based activated carbon. This study aimed to determine the surface profile of SMAC and the characteristics and mechanism of metal ion adsorption by SMAC. The selected metal ions were Cr(VI) cations and NH4+ cations as a reference. SMAC was prepared by modifying coconut shell-based activated carbon with anionic surfactant SLS (Sodium Lauryl Sulfate) and cationic surfactant HDTMA-Br (Hexadecyl Trimethyl Ammonium Bromide). Modification of SMAC was performed by three different methods: (a) activated carbon was added gradually with SLS followed by HDTMA-Br, (b) activated carbon was added with HDTMA-Br followed by SLS, (c) activated carbon was mixed with SLS and HDTMA-Br simultaneously. All synthesized SMAC were characterized using FTIR, GSA (Gas Sorption Analyzer), and zeta potential. The FTIR analysis results showed that the synthesized SMAC comprised S=O and (CH3)3N+ groups derived from surfactants. GSA analysis revealed that SMAC has a surface area of 36.790 m2/g, and it was more stable than activated carbon according to the zeta potential result. In this study, the efficiency of SLS and HDTMA-Br in synthesizing SMAC was 99.98% and 95.85%, respectively. SMAC synthesis using method c resulted in Cr(VI) adsorption efficiency of 93.50% and NH4+ adsorption efficiency of 87.37%. In comparison, SMAC below CMC has adsorption capacities of 93.41% for Cr(VI) and 85.05% for NH4+, respectively, whereas Cr(VI) adsorption efficiency by coconut shell-based activated carbon was 99.98%.
{"title":"Synthesis of Surfactant-Modified Activated Carbon (SMAC) Above Critical Micelle Concentration as Cr(VI) Ion Adsorbent","authors":"Arnelli Arnelli, Sri Guswini, A. Suseno","doi":"10.14710/jksa.25.5.179-184","DOIUrl":"https://doi.org/10.14710/jksa.25.5.179-184","url":null,"abstract":"The synthesis of surfactant-modified activated carbon (SMAC) has been widely studied. However, no research has been conducted to study SMAC concentrations higher than the critical micellar concentration. Therefore, in this study, SMAC was synthesized using anionic and cationic surfactants above CMC (Critical Micelle Concentration) and compared with SMAC below CMC and coconut husk-based activated carbon. This study aimed to determine the surface profile of SMAC and the characteristics and mechanism of metal ion adsorption by SMAC. The selected metal ions were Cr(VI) cations and NH4+ cations as a reference. SMAC was prepared by modifying coconut shell-based activated carbon with anionic surfactant SLS (Sodium Lauryl Sulfate) and cationic surfactant HDTMA-Br (Hexadecyl Trimethyl Ammonium Bromide). Modification of SMAC was performed by three different methods: (a) activated carbon was added gradually with SLS followed by HDTMA-Br, (b) activated carbon was added with HDTMA-Br followed by SLS, (c) activated carbon was mixed with SLS and HDTMA-Br simultaneously. All synthesized SMAC were characterized using FTIR, GSA (Gas Sorption Analyzer), and zeta potential. The FTIR analysis results showed that the synthesized SMAC comprised S=O and (CH3)3N+ groups derived from surfactants. GSA analysis revealed that SMAC has a surface area of 36.790 m2/g, and it was more stable than activated carbon according to the zeta potential result. In this study, the efficiency of SLS and HDTMA-Br in synthesizing SMAC was 99.98% and 95.85%, respectively. SMAC synthesis using method c resulted in Cr(VI) adsorption efficiency of 93.50% and NH4+ adsorption efficiency of 87.37%. In comparison, SMAC below CMC has adsorption capacities of 93.41% for Cr(VI) and 85.05% for NH4+, respectively, whereas Cr(VI) adsorption efficiency by coconut shell-based activated carbon was 99.98%.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45965704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-05-17DOI: 10.14710/jksa.25.6.197-204
Sulistyaning Budi, Annisa Fitri Nurlaila, Icaq Dwi Prasetyo, Indah Nur Rahmadhani, Javier Sebastián, I. Tahir
The global prevalence of anxiety and depression rates have increased by 25% due to the impact of the COVID-19 pandemic. Depression can occur due to an increase in NO produced by the nNOS enzyme. Gallic acid and its derivatives can be obtained from nature and have various biological activities. This study aimed to determine the potential of gallic acid and its derivatives as nNOS inhibitors using the molecular docking method with parameters of binding energy values, RMSD values, and specific binding to amino acid residues. The results showed that gallic acid, 4-O-methyl gallic acid, and epigallocatechin gallate had bond energies of −1.87; −2.36; and −0.12 kcal/mol, respectively. Compared to the standard ligand, which had binding energy of −2.84 kcal/mol, gallic acid 4-O-(6-galloyl glucoside) had binding energy of −4.12 kcal/mol. Based on these results, gallic acid 4-O-(6-galloyl glucoside) can potentially inhibit nNOS.
受2019冠状病毒病大流行的影响，全球焦虑和抑郁患病率上升了25%。抑郁症可由nNOS酶产生的NO增加引起。没食子酸及其衍生物可从自然界获得，具有多种生物活性。本研究旨在通过结合能值、RMSD值和氨基酸残基特异性结合参数的分子对接方法，确定没食子酸及其衍生物作为nNOS抑制剂的潜力。结果表明，没食子酸、4- o -甲基没食子酸和表没食子儿茶素没食子酸酯的键能为- 1.87;−2.36;和- 0.12 kcal/mol。与标准配体的结合能为−2.84 kcal/mol相比，没食子酸4-O-(6-没食子酰糖苷)的结合能为−4.12 kcal/mol。基于这些结果，没食子酸4-O-(6-没食子酰葡萄糖苷)对nNOS具有潜在的抑制作用。
{"title":"Molecular Docking of Gallic Acid and Its Derivatives as the Potential nNOS Inhibitors","authors":"Sulistyaning Budi, Annisa Fitri Nurlaila, Icaq Dwi Prasetyo, Indah Nur Rahmadhani, Javier Sebastián, I. Tahir","doi":"10.14710/jksa.25.6.197-204","DOIUrl":"https://doi.org/10.14710/jksa.25.6.197-204","url":null,"abstract":"The global prevalence of anxiety and depression rates have increased by 25% due to the impact of the COVID-19 pandemic. Depression can occur due to an increase in NO produced by the nNOS enzyme. Gallic acid and its derivatives can be obtained from nature and have various biological activities. This study aimed to determine the potential of gallic acid and its derivatives as nNOS inhibitors using the molecular docking method with parameters of binding energy values, RMSD values, and specific binding to amino acid residues. The results showed that gallic acid, 4-O-methyl gallic acid, and epigallocatechin gallate had bond energies of −1.87; −2.36; and −0.12 kcal/mol, respectively. Compared to the standard ligand, which had binding energy of −2.84 kcal/mol, gallic acid 4-O-(6-galloyl glucoside) had binding energy of −4.12 kcal/mol. Based on these results, gallic acid 4-O-(6-galloyl glucoside) can potentially inhibit nNOS.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45842243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-04-25DOI: 10.14710/jksa.25.4.161-168
M. C. Djunaidi, Fadjrin Nur Rahmayani, Khabibi Khabibi
Ionic imprinted membrane (IIM) was successfully synthesized using sulfonated polyeugenol, a derivative of eugenol as a functional polymer, with PVA as a base membrane and PEGDE as a crosslinker. IIM Au(III) is a membrane with an Au(III) ion template. This study aimed to determine the pH effect of a feed phase for selective transport of IIM Au(III), comparing it with a non-imprinted membrane (NIM) against Au3+ metal ions from motherboard waste. It also aimed to compare the membrane selectivity of Au3+ metal ions to Cu2+ metal ions, which are also found in motherboard waste. Gold samples were prepared using H(AuCl4) standard and leaching solutions from motherboard waste. The leaching of the motherboard used aqua regia and the assistance of a microwave to accelerate the leaching process. The optimum transport of Au3+ metal ions was when using IIM Au(III) at pH 3. This proved that the presence of a template affected IIM Au(III) to recognize Au(III) ions. IIM Au(III) showed higher selectivity than NIM, as evidenced by the percentage in the receiving phase of the Au3+ metal ions, which was more significant than the Cu2+ metal ions from the motherboard leaching solution.
{"title":"Synthesis of Ionic Imprinted Membrane (IIM) Based on Sulfonated Polyeugenol for Selective Transport of Gold (III) Metal Ions from Motherboard Waste","authors":"M. C. Djunaidi, Fadjrin Nur Rahmayani, Khabibi Khabibi","doi":"10.14710/jksa.25.4.161-168","DOIUrl":"https://doi.org/10.14710/jksa.25.4.161-168","url":null,"abstract":"Ionic imprinted membrane (IIM) was successfully synthesized using sulfonated polyeugenol, a derivative of eugenol as a functional polymer, with PVA as a base membrane and PEGDE as a crosslinker. IIM Au(III) is a membrane with an Au(III) ion template. This study aimed to determine the pH effect of a feed phase for selective transport of IIM Au(III), comparing it with a non-imprinted membrane (NIM) against Au3+ metal ions from motherboard waste. It also aimed to compare the membrane selectivity of Au3+ metal ions to Cu2+ metal ions, which are also found in motherboard waste. Gold samples were prepared using H(AuCl4) standard and leaching solutions from motherboard waste. The leaching of the motherboard used aqua regia and the assistance of a microwave to accelerate the leaching process. The optimum transport of Au3+ metal ions was when using IIM Au(III) at pH 3. This proved that the presence of a template affected IIM Au(III) to recognize Au(III) ions. IIM Au(III) showed higher selectivity than NIM, as evidenced by the percentage in the receiving phase of the Au3+ metal ions, which was more significant than the Cu2+ metal ions from the motherboard leaching solution.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43339639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-04-06DOI: 10.14710/jksa.25.4.155-160
G. Ernis, D. M, Nurul Afiatun Hasanah, D. Fitriani, Doni Notriawan, D. A. Triawan
Immunomodulators are an essential part of the prevention process for treating various diseases related to the body’s immune system. This study aimed to determine the immunomodulatory activity of virgin coconut oil (VCO) with and without the enzyme bromelain in pineapple waste extract on the proliferation of mice lymphocyte cells through an in vitro test. VCO was made using two methods: enzymatic using bromelain enzyme (VCOb) from pineapple waste with 10, 25, and 50%, and mixing method without bromelain enzyme (VCOm). The two types of VCO produced were calculated for the yield, moisture content, free fatty acids (FFA), and physicochemical properties. For immunomodulatory activity, the test solution was taken from VCOb and VCOm with a variation concentration of 6.25, 12.5, 25, 50, and 100 µg/mL. Isolation of lymphocyte cells was obtained from the spleen organ of Swiss Webster strain mice which was performed aseptically with a ketamine-xylazine anesthetic. The lymphocyte cell proliferation test was performed using the MTT Assay, and the Optical Density was measured using a microplate reader at 550 nm. The results showed that 50% VCOb produced the highest yield and 22.22% higher than VCOm. However, the results showed that increasing bromelain enzyme concentration would increase the moisture content and free fatty acid content, but still below 0.2%. The VCOb and VCOm had immunomodulatory activity against mice lymphocyte cell proliferation. However, the immunomodulatory activity of VCO with bromelain enzyme from pineapple waste extract (VCOb) was higher than without bromelain enzyme (VCOm). The highest immunomodulatory activity was obtained at 100 µg/mL of VCOb with a percentage increase of 158.26% compared to negative controls, followed by VCOm of 100 µg/mL with a percentage increase of 137.66% compared to negative controls. The optimum dose of VCOm and VCOb for increasing the proliferation of mice lymphocyte cells has not been found.
{"title":"In Vitro Immunomodulatory Activity of Virgin Coconut Oil (VCO) with and without Bromelain Enzyme from Pineapple Waste (Ananas comosus (L) Merr)","authors":"G. Ernis, D. M, Nurul Afiatun Hasanah, D. Fitriani, Doni Notriawan, D. A. Triawan","doi":"10.14710/jksa.25.4.155-160","DOIUrl":"https://doi.org/10.14710/jksa.25.4.155-160","url":null,"abstract":"Immunomodulators are an essential part of the prevention process for treating various diseases related to the body’s immune system. This study aimed to determine the immunomodulatory activity of virgin coconut oil (VCO) with and without the enzyme bromelain in pineapple waste extract on the proliferation of mice lymphocyte cells through an in vitro test. VCO was made using two methods: enzymatic using bromelain enzyme (VCOb) from pineapple waste with 10, 25, and 50%, and mixing method without bromelain enzyme (VCOm). The two types of VCO produced were calculated for the yield, moisture content, free fatty acids (FFA), and physicochemical properties. For immunomodulatory activity, the test solution was taken from VCOb and VCOm with a variation concentration of 6.25, 12.5, 25, 50, and 100 µg/mL. Isolation of lymphocyte cells was obtained from the spleen organ of Swiss Webster strain mice which was performed aseptically with a ketamine-xylazine anesthetic. The lymphocyte cell proliferation test was performed using the MTT Assay, and the Optical Density was measured using a microplate reader at 550 nm. The results showed that 50% VCOb produced the highest yield and 22.22% higher than VCOm. However, the results showed that increasing bromelain enzyme concentration would increase the moisture content and free fatty acid content, but still below 0.2%. The VCOb and VCOm had immunomodulatory activity against mice lymphocyte cell proliferation. However, the immunomodulatory activity of VCO with bromelain enzyme from pineapple waste extract (VCOb) was higher than without bromelain enzyme (VCOm). The highest immunomodulatory activity was obtained at 100 µg/mL of VCOb with a percentage increase of 158.26% compared to negative controls, followed by VCOm of 100 µg/mL with a percentage increase of 137.66% compared to negative controls. The optimum dose of VCOm and VCOb for increasing the proliferation of mice lymphocyte cells has not been found.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45945306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-03-25DOI: 10.14710/jksa.25.4.146-154
Nur Inayatullah, T. Kemala, I. Suparto
Chitosan is a natural polymer that can be used as wound dressing material; however, it has rigid and brittle properties. A combination of chitosan and polyvinyl alcohol (PVA) is expected to allow improvement of chitosan’s mechanical properties. Green grass jelly leaf (Cyclea barbarta M.) and moringa leaf (Moringa oleifera L.) have antibacterial compounds that can be added to the chitosan-PVA composite membrane. The purpose of the research was to develop and characterize the chitosan-PVA composite membrane with the addition of green grass jelly leaf and moringa leaf extracts to enhance the antibacterial activity of the membranes that have potential as a wound dressing. Both extracts with various composition volumes (75:25, 50:50, and 25:75) were tested for antibacterial activities against S. aureus and E. coli. Chitosan-PVA composite membrane with the volume ratios of 5:5, 6:4, and 7:3 was added with extract with the highest antibacterial activity. The composites were characterized for density, water vapor permeability, tensile strength, elongation, Fourier Transform Infrared spectroscopy, and Scanning Electron Microscope. The most significant inhibition zone was shown by an extract ratio of 50:50 against S. aureus and E. coli, 13.00±1.17 mm and 7.00±0.17 mm, respectively. Composite membrane with the addition of extract had a larger inhibition zone against S. aureus (9.75±0.75 mm) and E. coli (7.50±0.65 mm) than without extract. Chitosan-PVA(5:5)+extract membrane showed excellent density and water vapor permeability compared to other membrane ratio compositions. Mechanically, the addition of extract decreased the tensile strength and elongation of the membranes; however, it still complied with the medical material standard criteria. The characterization for functional groups showed that chitosan-PVA+extract generated the N-H group peak with two wavenumbers expressed as overlapping amides with amines and protonated amines. The SEM analysis showed that the addition of extract was not distributed homogeneously on the membrane surface.
{"title":"Potential for Antibacterial Activity of Chitosan-Polyvinyl Alcohol Membrane Loaded with Green Grass Jelly Leaf and Moringa Leaf Extract as a Wound Dressing","authors":"Nur Inayatullah, T. Kemala, I. Suparto","doi":"10.14710/jksa.25.4.146-154","DOIUrl":"https://doi.org/10.14710/jksa.25.4.146-154","url":null,"abstract":"Chitosan is a natural polymer that can be used as wound dressing material; however, it has rigid and brittle properties. A combination of chitosan and polyvinyl alcohol (PVA) is expected to allow improvement of chitosan’s mechanical properties. Green grass jelly leaf (Cyclea barbarta M.) and moringa leaf (Moringa oleifera L.) have antibacterial compounds that can be added to the chitosan-PVA composite membrane. The purpose of the research was to develop and characterize the chitosan-PVA composite membrane with the addition of green grass jelly leaf and moringa leaf extracts to enhance the antibacterial activity of the membranes that have potential as a wound dressing. Both extracts with various composition volumes (75:25, 50:50, and 25:75) were tested for antibacterial activities against S. aureus and E. coli. Chitosan-PVA composite membrane with the volume ratios of 5:5, 6:4, and 7:3 was added with extract with the highest antibacterial activity. The composites were characterized for density, water vapor permeability, tensile strength, elongation, Fourier Transform Infrared spectroscopy, and Scanning Electron Microscope. The most significant inhibition zone was shown by an extract ratio of 50:50 against S. aureus and E. coli, 13.00±1.17 mm and 7.00±0.17 mm, respectively. Composite membrane with the addition of extract had a larger inhibition zone against S. aureus (9.75±0.75 mm) and E. coli (7.50±0.65 mm) than without extract. Chitosan-PVA(5:5)+extract membrane showed excellent density and water vapor permeability compared to other membrane ratio compositions. Mechanically, the addition of extract decreased the tensile strength and elongation of the membranes; however, it still complied with the medical material standard criteria. The characterization for functional groups showed that chitosan-PVA+extract generated the N-H group peak with two wavenumbers expressed as overlapping amides with amines and protonated amines. The SEM analysis showed that the addition of extract was not distributed homogeneously on the membrane surface.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44656278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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