Jurnal Kimia Riset最新文献

QSAR ANALYSIS USING SEMI-EMPIRICAL AM1 METHOD, MOLECULAR DOCKING, AND ADMET STUDIES OF CHALCONE DERIVATIVES AS ANTIMALARIAL COMPOUNDS 使用半经验 am1 方法对作为抗疟化合物的查尔酮衍生物进行 QSAR 分析、分子对接和 admet 研究

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.51798

Muhammad Akbar S Kurniawan, Muhamad Jalil Baari, Sariyanti Sariyanti, Finarisnawati Finarisnawati

{"title":"QSAR ANALYSIS USING SEMI-EMPIRICAL AM1 METHOD, MOLECULAR DOCKING, AND ADMET STUDIES OF CHALCONE DERIVATIVES AS ANTIMALARIAL COMPOUNDS","authors":"Muhammad Akbar S Kurniawan, Muhamad Jalil Baari, Sariyanti Sariyanti, Finarisnawati Finarisnawati","doi":"10.20473/jkr.v8i2.51798","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.51798","url":null,"abstract":"Malaria is a serious caused by protozoan parasites such as Plasmodium groups and has fatal consequences for human health. The increase in the resistance of the Plasmodium parasites toward existing antimalarial drugs prompts the exploration of novel compounds. In this study, quantitative structure-activity relationship (QSAR) analysis using the semi-empirical AM1 method was conducted to identify the optimal model that relates physicochemical properties and biological activity of chalcone derivatives. In addition, ADMET prediction and molecular docking were also carried out. Multilinear regression calculations for statistical parameters of QSAR models revealed that Model 4, with 11 independent variables, provided the best predictions and exhibited a robust correlation with antimalarial activity represented by inhibitory concentration (IC50). ADMET predictions indicated favorable absorption, distribution, metabolism, excretion, and toxicity properties, particularly for B2D, showing promising antimalarial attributes. Molecular docking studies targeting 5 mutated PfDHODH proteins revealed B2D’s potential to reach therapeutic targets efficiently. It has low docking scores for mutations I (-10.5 kcal/mol), II (-8.6 kcal/mol), and V (-10.5 kcal/mol) with RMSD < 2Å, in carrying out its role for antimalarial activity. This research successfully identifies B2D as an efficient inhibitor of PfDHODH receptors. Thus, it is a highly promising novel antimalarial drug.","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"41 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139184839","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}

引用次数: 0

VALIDATION OF HEADSPACE SOLID-PHASE MICROEXTRACTION WITH GAS CHROMATOGRAPHY-FLAME IONISATION DETECTOR METHOD FOR ALCOHOL ANALYSIS ON GASTRIC FLUID 验证顶空固相微萃取-气相色谱-火焰离子化检测器法分析胃液中的酒精含量

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.44502

Nazaratun Thaiyibah, Mochammad Yuwono, Ahmad Yudianto

引用次数: 0

DIFFERENT ROUTES FOR THE SYNTHESIS OF BENZALDEHYDE-BASED DIHYDROPYIMIDINONES VIA BIGINELLI REACTION 通过 biginelli 反应合成苯甲醛基二氢亚胺酮的不同路线

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.45209

Yan Alamanda Ilfahmi, Arif Fadlan

引用次数: 0

DETERMINATION OF VITAMIN C CONTENT IN BELL PEPPER (Capsicum annuum L.) WITH DIFFERENT PROTIC POLAR SOLVENT BY UV-VIS SPECTROSCOPY 通过紫外-可见光谱分析法测定不同防腐剂溶液中的维生素 C 含量

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.44865

Fawait Afnani, Jamilah Hamidi Yanti, W. Pratiwi

{"title":"DETERMINATION OF VITAMIN C CONTENT IN BELL PEPPER (Capsicum annuum L.) WITH DIFFERENT PROTIC POLAR SOLVENT BY UV-VIS SPECTROSCOPY","authors":"Fawait Afnani, Jamilah Hamidi Yanti, W. Pratiwi","doi":"10.20473/jkr.v8i2.44865","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.44865","url":null,"abstract":"Bell pepper can be an antioxidant and has many health benefits because of the high content of vitamin C. Vitamin C contents in yellow and orange bell peppers were extracted using different protic polar solvents and analyzed using the UV-Vis Spectrophotometry method. In this research, the bell peppers were extracted using the maceration technique for two days in 90% concentration of solvents (methanol and ethanol, respectively). Subsequently, the maximum wavelength was determined, and then 100 ppm ascorbic acid was used as a standard solution to analyze vitamin C content. Linearity based on a calibration curve is used to obtain the correlation coefficient of concentration between the standard solution and vitamin C levels in the sample. The result of UV-Vis spectroscopy analysis of this sample shows 373.5 nm of λmax. The linearity is shown in the equation y = 0.0006 x + 0.019. The vitamin C content in all samples had significant differences based on randomized complete block design (RCBD) test result with α = 0.05. The vitamin C level in the yellow pepper sample with an ethanol solvent (340 mg/100 g) was higher than that of the orange pepper sample with ethanol (251 mg/100 g). Meanwhile, the vitamin C content in the sample of yellow peppers with methanol solvent (562.5 mg/100 g) was smaller than that of orange peppers with methanol solvent (757.5 mg/100 g). These contents indicated a different result in the level sources of vitamin C, even if the maceration process used a solvent with a higher dielectric constant.","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139185154","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}

引用次数: 0

WATER ROLE ON DIELS-ALDER REACTION OFPRENYLATED FLAVONOIDFORMATIONIN Boesenbergia pandurata: MECHANISM STUDY 水在楠木变性芳香醛反应中的作用：机理研究

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.45215

Rahmanto Aryabraga Rusdipoetra, Kautsar Ul Haq

引用次数: 0

THE EFFECT OF SURFACTANT ON PRE-MORDANTING AND pH OF DYEING PROCESS WITH NATURAL DYES 表面活性剂对天然染料染色过程中的前染色和 pH 值的影响

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.49114

Wulan Safrihatini Atikah, Ikhwanul Muslim, Sandi Mu’min Pratama

{"title":"THE EFFECT OF SURFACTANT ON PRE-MORDANTING AND pH OF DYEING PROCESS WITH NATURAL DYES","authors":"Wulan Safrihatini Atikah, Ikhwanul Muslim, Sandi Mu’min Pratama","doi":"10.20473/jkr.v8i2.49114","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.49114","url":null,"abstract":"The dyeing process with natural dyes has disadvantages, including poor color fastness. A mordanting process is required to overcome these disadvantages. Conventional mordanting processes often use metal salts. This research will substitute the mordanting process using surfactants as mordant substances. The pH of the process influences the application of dyeing with natural dyes. This study aims to determine the effect of the pre-mordant process using surfactants and the pH of the dyeing process on the color characteristics of cotton and silk fabrics dyed with Cocos nucifera L dye extract. The surfactants used were cationic and non-ionic polymeric surfactants. This study was conducted in phases. The first phase involved the extraction of coconut fiber, and the second phase involved pre-mordanting the fiber with surfactants. The third stage is the dyeing process, which has variations in pH 3, 7, and 9. The evaluation results show that cationic surfactants have the potential to be used as a mordant and provide an increased anti-bacterial effect on processed fabrics. The optimal use of cationic surfactants was obtained using a concentration of 9 g/L and pH 7 for the cotton dyeing process. The optimum concentration was obtained at 9 g/L for the silk dyeing process, and the dyeing pH was 3.","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"32 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139185037","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}

引用次数: 0

STUDY MOLECULES DOCKING OF ALKALOIDS IN KRATOM ON SEROTONIN TRANSPORTER (SERT), NOREPINEPHRINE TRANSPORTER (NET), AND MONOAMINE OXIDASE (MAO) 桔梗中的生物碱与血清素转运体（sert）、去甲肾上腺素转运体（net）和单胺氧化酶（mao）的分子对接研究

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.50785

Dandi Irawan, Bambang Wijianto, Harianto Ih

{"title":"STUDY MOLECULES DOCKING OF ALKALOIDS IN KRATOM ON SEROTONIN TRANSPORTER (SERT), NOREPINEPHRINE TRANSPORTER (NET), AND MONOAMINE OXIDASE (MAO)","authors":"Dandi Irawan, Bambang Wijianto, Harianto Ih","doi":"10.20473/jkr.v8i2.50785","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.50785","url":null,"abstract":"Kratom (Mitragyna speciosa Korth) is a tropical plant originating from Southeast Asia that predominantly contains alkaloid compounds and can potentially maintain levels of monoamine compounds in the body to treat depression. The study aimed to examine the potential of 8 alkaloid compounds in kratom as antidepressants towards four target proteins: Serotonin Transporter (SERT), Dopamine Transporter (DOPAT), Leucine Transporter (LEUT), and Monoamine Oxidase (MAO) via molecular docking. The Pyrx program is used with exhaustiveness 106 as the protocol, and the grid is adapted to the active site of each receptor. The affinity values of the alkaloid compounds in kratom are mitragynine, 7-hydroxy mitragynine, speciociliatine, paynantheine, speciogynine, corynantheidine, mitraciliatine, and 9-hydroxycorynantheidine, for MAO were -7.1, -6.1, -5.7, -6.7, -5.7, -7.7, -5.7, and -5.7 kcal/ mole. All compounds bind to amino acid residues in the target protein through hydrogen and pi (π) bonds. All the tested alkaloid compounds have the potential to be re-uptake inhibitors SERT, DOPAT, LEUT, and Monoamine Oxidase (MAO).","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"45 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139185425","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}

引用次数: 0

EFFECT OF MAGNETITE AND CHITOSAN-MAGNETITE ADDITION ON BACTERIAL LEVELS AND NH3-N (FREE-LIVING N2-FIXING BACTERIA CULTURE) 磁铁矿和壳聚糖-磁铁矿添加物对细菌数量和 nh3-n 的影响（自由生活的固定 n2 细菌培养物）

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.47647

Ali Umar, Deden Saprudin, Fahrizal Hazra

引用次数: 0

CONVERSION OF PINEAPPLE PEEL GLUCOSE INTO BIOETHANOL USING SIMULTANEOUS SACCHARIFICATION AND FERMENTATION (SSF) METHOD AND SEPARATE HYDROLYSIS AND FERMENTATION (SHF) METHOD 采用同步糖化发酵法（ssf）和单独水解发酵法（shf）将菠萝皮葡萄糖转化为生物乙醇

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.50581

Hasri Tri Maya Saragih, Jhony Hartanta Sembiring, Elfrida Ginting

{"title":"CONVERSION OF PINEAPPLE PEEL GLUCOSE INTO BIOETHANOL USING SIMULTANEOUS SACCHARIFICATION AND FERMENTATION (SSF) METHOD AND SEPARATE HYDROLYSIS AND FERMENTATION (SHF) METHOD","authors":"Hasri Tri Maya Saragih, Jhony Hartanta Sembiring, Elfrida Ginting","doi":"10.20473/jkr.v8i2.50581","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.50581","url":null,"abstract":"This study aims to determine the bioethanol yield and characteristics from pineapple peel with two methods such as Simultaneous Saccharification and Fermentation (SSF) and Separate Hydrolysis and Fermentation (SHF). The percent yield of bioethanol produced from the fermentation of pineapple peel (Ananas comosus) with the Simultaneous Saccharification and Fermentation method was 63.50%, while the yield of bioethanol from the Separate Hydrolysis and Fermentation method was 58.75%. The physical characteristics of bioethanol pineapple peel waste using Simultaneous Saccharification and Fermentation method has a density of 0.8237 w/v whilst with Separate Hydrolysis and Fermentation is 0.8858 w/v. Furthermore, viscosity of bioethanol using Simultaneous Saccharification and Fermentation is 1.05 Cp whereas using Separate Hydrolysis and Fermentation is 1.02 Cp. Pineapple peel bioethanol method of Simultaneous Saccharification and Fermentation has concentration of 13% while Separate Hydrolysis and Fermentation method has concentration of 7.92%. FTIR spectra from SHF bioethanol missing the peak correlated with CH, CH3, and CO. These missing peaks is due to the high percentage of water. Furthermore, bioethanol from SSF method showed peaks corresponding to CH, CH3, and CO functional groups. It can be concluded that SSF method give bioethanol with optimum result.","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"15 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139185181","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}

引用次数: 0

DEGRADATION OF TETRACYCLINE BY FLOATING PHOTOCATALYST TiO2/Ni-COCONUT FIBER 漂浮光催化 TiO2/Ni-COCONUT 纤维对四氯乙烯的降解作用

Jurnal Kimia Riset Pub Date : 2023-12-08 DOI: 10.20473/jkr.v8i2.50848

Lavena Imelda Putri, Deri Agustiawan, Didiek Sugandi, Khaizurani Arfida, Mardhatilla, Nelly Wahyuni

{"title":"DEGRADATION OF TETRACYCLINE BY FLOATING PHOTOCATALYST TiO2/Ni-COCONUT FIBER","authors":"Lavena Imelda Putri, Deri Agustiawan, Didiek Sugandi, Khaizurani Arfida, Mardhatilla, Nelly Wahyuni","doi":"10.20473/jkr.v8i2.50848","DOIUrl":"https://doi.org/10.20473/jkr.v8i2.50848","url":null,"abstract":"The photocatalyst process involves light (photons) as an energy source and catalysts such as TiO2 to accelerate the reaction. Efforts are made to reduce the band gap energy of TiO2 by shifting the absorption towards visible light using metal cation doping, such as Ni2+, and they can float on the surface with coconut fiber. XRD characteristics with TiO2 diffractogram experienced a 2θ shift as an indication that Ni has entered the TiO2 structure and seen some peaks decreased in intensity after being embedded with coconut fiber as an indication that TiO2/Ni has successfully attached to the fiber. The band gap energy on TiO2 is 3.21 eV with a wavelength of 386.5 nm in UV light. TiO2/Ni-coconut fiber experienced a shift in band gap energy to 3.09 eV with a wavelength of 400.9 nm, which is in visible light. This indicates that Ni has successfully entered the TiO2 structure. The TiO2/Ni catalyst embraced with coconut fiber has a higher degradation activity than the catalyst without an embrainer, with a percent degradation of 28.66% for 120 minutes of irradiation. This is influenced by the amount of light that can be absorbed during the photocatalysis process.","PeriodicalId":502957,"journal":{"name":"Jurnal Kimia Riset","volume":"10 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139185320","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}

引用次数: 0