Pub Date : 2023-11-10DOI: 10.14710/jksa.26.9.353-362
Andri Hermansyah, Neil V. Rees, J. Gunlazuardi, Rahmat Wibowo
Microfluidic paper-based analytical devices (µPADs) have been successfully developed using dual detection: electrochemical and colorimetric systems. The µPADs have the potential to be used as Pb(II), Cd(II), and Cu(II) sensors to test the quality of water. The fabrication process uses hot embossing and screen-printing methods. The working electrode in the electrochemical zone was enhanced by the bismuth metal deposition process, while in the colorimetric zone, the gold nanoparticles modified with thioctic acid and dansylhydrazine (TA-Au-DNS) were used as a colorimetric sensor to detect Cu. The basic material of µPADs was characterized using a Fourier-transform infrared (FTIR) and a contact angle meter (CAM). In the electrochemical zone, the signals of square wave anodic stripping voltammetry (SWASV) resulted in good detection of Pb(II) and Cd(II) (from 0 to 100 ppb) with a limit of detection of 1.588 and 1.42 ppb, respectively. In the colorimetric zone, the performance of TA-Au-DNS for detecting Cu metal was obtained from readings through the red-green-blue (RGB) sensor as a miniature of µPADs reader. The LOD, LOQ, and average Vx0 (linearity values) in the detection of Cu(II) (from 58 to 100 ppb) are 8.51 ppb, 28.36 ppb, and 0.41%, respectively.
{"title":"Development of Microfluidic Paper-Based Analytical Devices (µPADs) for Determination of Cd2+, Pb2+, and Cu2+ Ions in Mineral Water","authors":"Andri Hermansyah, Neil V. Rees, J. Gunlazuardi, Rahmat Wibowo","doi":"10.14710/jksa.26.9.353-362","DOIUrl":"https://doi.org/10.14710/jksa.26.9.353-362","url":null,"abstract":"Microfluidic paper-based analytical devices (µPADs) have been successfully developed using dual detection: electrochemical and colorimetric systems. The µPADs have the potential to be used as Pb(II), Cd(II), and Cu(II) sensors to test the quality of water. The fabrication process uses hot embossing and screen-printing methods. The working electrode in the electrochemical zone was enhanced by the bismuth metal deposition process, while in the colorimetric zone, the gold nanoparticles modified with thioctic acid and dansylhydrazine (TA-Au-DNS) were used as a colorimetric sensor to detect Cu. The basic material of µPADs was characterized using a Fourier-transform infrared (FTIR) and a contact angle meter (CAM). In the electrochemical zone, the signals of square wave anodic stripping voltammetry (SWASV) resulted in good detection of Pb(II) and Cd(II) (from 0 to 100 ppb) with a limit of detection of 1.588 and 1.42 ppb, respectively. In the colorimetric zone, the performance of TA-Au-DNS for detecting Cu metal was obtained from readings through the red-green-blue (RGB) sensor as a miniature of µPADs reader. The LOD, LOQ, and average Vx0 (linearity values) in the detection of Cu(II) (from 58 to 100 ppb) are 8.51 ppb, 28.36 ppb, and 0.41%, respectively.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"44 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139280387","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 : 2023-11-09DOI: 10.14710/jksa.26.8.300-309
E. Widjajakusuma, Monica Frederica, Kornelius Kaweono
Macrophage infectivity potentiator (Mip) protein, an essential virulence factor encoded by pathogenic bacteria such as Legionella pneumophila, arises as an interesting new therapeutic target for novel antimicrobials. However, Mip- ligands also interact with FKBP12 protein, a human FKBP exhibiting immunosuppressive effects. Therefore, these ligands are unsuitable antibiotics. Understanding the dynamics and conformations of proteins in the binding pocket is important to predict binding properties and to design new binders for different FKBPs. We performed the 40 ns combined classical and flooding molecular dynamics simulations using additional flooding potential for Mip-rapamycin and FKBP12-rapamycin complexes. Both complexes have different flexibilities and dihedral angle principal component analysis calculated from MD trajectories. As a result, the Mip-rapamycin complex had more conformations than the FKBP12-rapamycin complex. These different features of both complexes at the binding pocket will provide new dues for the design of selective inhibitors of Mip proteins
{"title":"Combined Classical and Flooding Molecular Dynamics Simulations of The Mip-Rapamycin and FKBP12-Rapamycin Complexes","authors":"E. Widjajakusuma, Monica Frederica, Kornelius Kaweono","doi":"10.14710/jksa.26.8.300-309","DOIUrl":"https://doi.org/10.14710/jksa.26.8.300-309","url":null,"abstract":"Macrophage infectivity potentiator (Mip) protein, an essential virulence factor encoded by pathogenic bacteria such as Legionella pneumophila, arises as an interesting new therapeutic target for novel antimicrobials. However, Mip- ligands also interact with FKBP12 protein, a human FKBP exhibiting immunosuppressive effects. Therefore, these ligands are unsuitable antibiotics. Understanding the dynamics and conformations of proteins in the binding pocket is important to predict binding properties and to design new binders for different FKBPs. We performed the 40 ns combined classical and flooding molecular dynamics simulations using additional flooding potential for Mip-rapamycin and FKBP12-rapamycin complexes. Both complexes have different flexibilities and dihedral angle principal component analysis calculated from MD trajectories. As a result, the Mip-rapamycin complex had more conformations than the FKBP12-rapamycin complex. These different features of both complexes at the binding pocket will provide new dues for the design of selective inhibitors of Mip proteins","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"67 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139281764","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 : 2023-11-07DOI: 10.14710/jksa.26.8.285-292
D. Hermawan, Salsabil Rahmadina, Irmanto Irmanto, Amin Fatoni, Suwandri Suwandri, M. Mudasir, H. Aboul‐Enein
The chiral separation of hydroxychloroquine, an antimalarial drug with one chiral center, has been predicted using molecular docking and was proven using the HPLC method. Docking utilized the PM3 semi-empirical method with specific grid coordinates (X = 19.977, Y = 20.069, and Z = 25.901) and a grid size of (X = 20, Y = 20, and Z = 60), employing a grid spacing of 1,000 Å, an exhaustiveness value of 8, and num_modes of 10. The analysis revealed the enhanced stability of R-hydroxychloroquine within the tris amylose complex, resulting in slower retention and elution rates compared to S-hydroxychloroquine. The HPLC experimental validation demonstrates resolution (Rs = 2.23), successfully achieved by employing amylose tris-based chiral columns. The mobile phase composition employed in this study consisted of acetonitrile:aquabidest: dimethylamine (47:52:1, v/v). Detection was performed at 343 nm, and the optimized HPLC method successfully quantitatively determined hydroxychloroquine in a liquid pharmaceutical sample with a percentage recovery of 98.47%.
{"title":"Molecular Docking Approach and Enantioseparation of Hydroxychloroquine by High-Performance Liquid Chromatography using Amylose Tris (3,5-dimethyl phenyl carbamate) as the Chiral Selector","authors":"D. Hermawan, Salsabil Rahmadina, Irmanto Irmanto, Amin Fatoni, Suwandri Suwandri, M. Mudasir, H. Aboul‐Enein","doi":"10.14710/jksa.26.8.285-292","DOIUrl":"https://doi.org/10.14710/jksa.26.8.285-292","url":null,"abstract":"The chiral separation of hydroxychloroquine, an antimalarial drug with one chiral center, has been predicted using molecular docking and was proven using the HPLC method. Docking utilized the PM3 semi-empirical method with specific grid coordinates (X = 19.977, Y = 20.069, and Z = 25.901) and a grid size of (X = 20, Y = 20, and Z = 60), employing a grid spacing of 1,000 Å, an exhaustiveness value of 8, and num_modes of 10. The analysis revealed the enhanced stability of R-hydroxychloroquine within the tris amylose complex, resulting in slower retention and elution rates compared to S-hydroxychloroquine. The HPLC experimental validation demonstrates resolution (Rs = 2.23), successfully achieved by employing amylose tris-based chiral columns. The mobile phase composition employed in this study consisted of acetonitrile:aquabidest: dimethylamine (47:52:1, v/v). Detection was performed at 343 nm, and the optimized HPLC method successfully quantitatively determined hydroxychloroquine in a liquid pharmaceutical sample with a percentage recovery of 98.47%.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139285583","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 : 2023-11-06DOI: 10.14710/jksa.26.8.310-317
Novi Sylvia, R. Dewi, Z. Zulnazri, Hendi Setiawan, Dinda Humaira, Mutia Reza
Tea waste is a low-cost alternative material for making adsorbent to remove methylene blue from synthetic dye wastewater perpetually. Optimization of the adsorbent process utilized Response Surface Methodology (RSM) and a continuously operating system in a fixed bed column. The independent variables in the research are X1 (bed height), X2 (contact time), and X3 (flow rate). The dependent variable is Y1 (removal efficiency) with a matrix design by Box-Behnken. The optimum condition of methylene blue (MB) B removal was found at X1=16 cm, X2=90 min, and X3=4 L/min with an adsorption efficiency of 90.45%. After the activation and adsorption of MB dye, the complete FTIR spectrum shows a distinct peak at 2933.7 cm-1. The results of the EDX analysis performed on tea waste reveal the presence of nitrogen (element N) following the adsorption process. This observation strongly suggests that the tea waste has effectively absorbed MB, as nitrogen is a constituent element found in the molecular structure of MB.
{"title":"Optimization of Methylene Blue Dye Adsorption in Fixed Bed Column Packed with Tea Waste via Response Surface Methodology","authors":"Novi Sylvia, R. Dewi, Z. Zulnazri, Hendi Setiawan, Dinda Humaira, Mutia Reza","doi":"10.14710/jksa.26.8.310-317","DOIUrl":"https://doi.org/10.14710/jksa.26.8.310-317","url":null,"abstract":"Tea waste is a low-cost alternative material for making adsorbent to remove methylene blue from synthetic dye wastewater perpetually. Optimization of the adsorbent process utilized Response Surface Methodology (RSM) and a continuously operating system in a fixed bed column. The independent variables in the research are X1 (bed height), X2 (contact time), and X3 (flow rate). The dependent variable is Y1 (removal efficiency) with a matrix design by Box-Behnken. The optimum condition of methylene blue (MB) B removal was found at X1=16 cm, X2=90 min, and X3=4 L/min with an adsorption efficiency of 90.45%. After the activation and adsorption of MB dye, the complete FTIR spectrum shows a distinct peak at 2933.7 cm-1. The results of the EDX analysis performed on tea waste reveal the presence of nitrogen (element N) following the adsorption process. This observation strongly suggests that the tea waste has effectively absorbed MB, as nitrogen is a constituent element found in the molecular structure of MB.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139288353","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 : 2023-11-02DOI: 10.14710/jksa.26.7.276-284
Tri Novia Yuliana, Adhina Choiri Putri, Bambang Cahyono, A. L. Aminin
Phyllanthus urinaria is an annual perennial herbal species found in tropical Asia, America, China, and the Indian Ocean islands. Phyllanthus urinaria is used in folk medicine as a cure to treat jaundice, diabetes, malaria, and liver diseases. Sterilizing the substrate is a crucial step in the fermentation process. This process ensures that the inoculated microorganism is entirely single. Autoclave sterilization is widely favored within the scientific community. In autoclaving, pressurized steam is employed to deliver heat, effectively reducing the bioactive compounds present in the substrate. Comparative studies on various sterilization methods have been reported. This study aims to investigate the effects of substrate containers in sterilization methods of the herbal plant on phenol and flavonoid compounds by LC-MS (Liquid Chromatography-Mass Spectrometry) analysis. Three sterilization methods (pasteurization, steam, and autoclave sterilization) were each applied to the meniran herbal plant (Phyllanthus urinaria) for 15 minutes. Using the aluminum chloride colorimetric assay, the sterilization results were measured for total phenol content, the Folin-Ciocalteu test, and total flavonoid content. The LC-MS analysis showed that the methanol extract of Phyllanthus urinaria (APU) sterilized by autoclaving resulted in the most significant reduction in active phenolic and flavonoid compounds. Pasteurization, steaming, and autoclaving in a big container resulted in total flavonoid content of 1.80±0.034, 1.70±0.021, and 1.71±0.029 mg QE/g extract. The total phenolic content was 26.49±0.591, 22.77±0.230, and 22.097±0.155 mg GAE extract/g, respectively. Meanwhile, using a small container, each method produced a total flavonoid content of 1.73±0.024, 1.71±0.051, and 1.62±0.015 mg QE/g extract, respectively. The total phenolic content was 20.56±0.093, 19.79±0.295, and 20.09±0.124 mg GAE/g extract. Furthermore, the LC-MS profile revealed that APU experienced a reduction in ρ-hydroxybenzaldehyde and naringenin compounds, leading to a decrease in rutin, methyl brevifolincarboxylate, and ethyl gallate compounds. From the results of LC-MS analysis, this research determined that pasteurization using a big container is the most effective sterilization method for preserving the highest levels of total flavonoid and phenolic content in Phyllanthus urinaria while minimizing adverse effects on phytochemical compounds.
{"title":"The Effect of Various Sterilization Methods and Volume Containers on Phytochemical Content of Methanol Extract of Phyllanthus urinaria","authors":"Tri Novia Yuliana, Adhina Choiri Putri, Bambang Cahyono, A. L. Aminin","doi":"10.14710/jksa.26.7.276-284","DOIUrl":"https://doi.org/10.14710/jksa.26.7.276-284","url":null,"abstract":"Phyllanthus urinaria is an annual perennial herbal species found in tropical Asia, America, China, and the Indian Ocean islands. Phyllanthus urinaria is used in folk medicine as a cure to treat jaundice, diabetes, malaria, and liver diseases. Sterilizing the substrate is a crucial step in the fermentation process. This process ensures that the inoculated microorganism is entirely single. Autoclave sterilization is widely favored within the scientific community. In autoclaving, pressurized steam is employed to deliver heat, effectively reducing the bioactive compounds present in the substrate. Comparative studies on various sterilization methods have been reported. This study aims to investigate the effects of substrate containers in sterilization methods of the herbal plant on phenol and flavonoid compounds by LC-MS (Liquid Chromatography-Mass Spectrometry) analysis. Three sterilization methods (pasteurization, steam, and autoclave sterilization) were each applied to the meniran herbal plant (Phyllanthus urinaria) for 15 minutes. Using the aluminum chloride colorimetric assay, the sterilization results were measured for total phenol content, the Folin-Ciocalteu test, and total flavonoid content. The LC-MS analysis showed that the methanol extract of Phyllanthus urinaria (APU) sterilized by autoclaving resulted in the most significant reduction in active phenolic and flavonoid compounds. Pasteurization, steaming, and autoclaving in a big container resulted in total flavonoid content of 1.80±0.034, 1.70±0.021, and 1.71±0.029 mg QE/g extract. The total phenolic content was 26.49±0.591, 22.77±0.230, and 22.097±0.155 mg GAE extract/g, respectively. Meanwhile, using a small container, each method produced a total flavonoid content of 1.73±0.024, 1.71±0.051, and 1.62±0.015 mg QE/g extract, respectively. The total phenolic content was 20.56±0.093, 19.79±0.295, and 20.09±0.124 mg GAE/g extract. Furthermore, the LC-MS profile revealed that APU experienced a reduction in ρ-hydroxybenzaldehyde and naringenin compounds, leading to a decrease in rutin, methyl brevifolincarboxylate, and ethyl gallate compounds. From the results of LC-MS analysis, this research determined that pasteurization using a big container is the most effective sterilization method for preserving the highest levels of total flavonoid and phenolic content in Phyllanthus urinaria while minimizing adverse effects on phytochemical compounds.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"138 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139291030","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 : 2023-10-11DOI: 10.14710/jksa.26.7.261-267
Umi Alma Anggraini, T. D. Sutanto, I. Gustian, M. Adfa, Evi Maryanti
This research is focused on the development of adhesives through the utilization of different types of tackifiers. The primary raw materials employed comprise 60% concentrated latex, which is subsequently blended with additives that have been dispersed, including KOH as a stabilizing agent, stearic acid and ZnO as activators, BHT as an antioxidant, CaCO3 as a filler, MBTS (Mercaptobenzothiazole disulfide) and TMTD (Tetramethyl Thiuram Disulphide) as accelerators, and sulfur as a vulcanizing agent. This research explored two specific variations of tackifiers: pine tar oil and petrosin. The characterization of the adhesives encompasses an analysis of acidity (pH), viscosity, adhesive strength, functional group analysis using FTIR, thermal properties, and XRD. The research findings showed that the optimal conditions were achieved in the third variation of the adhesive, with the same ratio of pine tar oil tackifier and petrosin of 4 grams each. In this particular variation, adhesives conforming to the SNI 12- 7195-2006 standards were produced, displaying an adhesion strength of 1.506 N/mm, a viscosity of 1075 cP, and a pH level of 4.6. Furthermore, thermal testing results reveal that the adhesive created with tackifier (V3) exhibits thermal resistance up to 350°C, a glass transition temperature of 354°C, and a melting point of 378°C.
{"title":"The Effect of Adding Pine Tar Oil and Petrosin as Tackifier Ingredients on The Quality of Liquid Rubber Compound-based Adhesives","authors":"Umi Alma Anggraini, T. D. Sutanto, I. Gustian, M. Adfa, Evi Maryanti","doi":"10.14710/jksa.26.7.261-267","DOIUrl":"https://doi.org/10.14710/jksa.26.7.261-267","url":null,"abstract":"This research is focused on the development of adhesives through the utilization of different types of tackifiers. The primary raw materials employed comprise 60% concentrated latex, which is subsequently blended with additives that have been dispersed, including KOH as a stabilizing agent, stearic acid and ZnO as activators, BHT as an antioxidant, CaCO3 as a filler, MBTS (Mercaptobenzothiazole disulfide) and TMTD (Tetramethyl Thiuram Disulphide) as accelerators, and sulfur as a vulcanizing agent. This research explored two specific variations of tackifiers: pine tar oil and petrosin. The characterization of the adhesives encompasses an analysis of acidity (pH), viscosity, adhesive strength, functional group analysis using FTIR, thermal properties, and XRD. The research findings showed that the optimal conditions were achieved in the third variation of the adhesive, with the same ratio of pine tar oil tackifier and petrosin of 4 grams each. In this particular variation, adhesives conforming to the SNI 12- 7195-2006 standards were produced, displaying an adhesion strength of 1.506 N/mm, a viscosity of 1075 cP, and a pH level of 4.6. Furthermore, thermal testing results reveal that the adhesive created with tackifier (V3) exhibits thermal resistance up to 350°C, a glass transition temperature of 354°C, and a melting point of 378°C.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139320428","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 : 2023-10-09DOI: 10.14710/jksa.26.7.238-248
R. Ruswanto, Nisa Uswatun Khasanah, Gatut Ari Wardani, R. Mardianingrum
Cancer is a disease characterized by cells forming abnormally so that a buildup can cause lumps. Drug compounds used for anticancer treatment by chemotherapy become a severe problem because they have dangerous side effects and can affect patient’s quality of life. This study aims to discover new drug compounds with lowered toxicity effects. This was achieved by modifying their structures through synthesis, characterization, and estimating the interactions of the synthesized compounds with specific target receptors, utilizing a docking method. The result obtained was a synthesis yield of 36.2%. The characterization of complex compounds was characterized by the presence of a maximum wavelength of 273 nm and a molecular weight of 652 g/mmol, indicating the absorption of Co-O and Co-S at respective wavenumbers of 498 cm-1 and 604 cm- 1. The docking results showed that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex had the best activity on human estrogen receptor alpha (hER alpha) with a binding affinity value of - 9.40 kcal/mol and an inhibition constant of 0.129 M, which was lower than the comparison compound (cisplatin) and had a better pharmacokinetic profile than cisplatin. This study shows that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex is predicted to have potential as an anticancer candidate.
{"title":"Synthesis and Computational Study of Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) as Anticancer Candidate","authors":"R. Ruswanto, Nisa Uswatun Khasanah, Gatut Ari Wardani, R. Mardianingrum","doi":"10.14710/jksa.26.7.238-248","DOIUrl":"https://doi.org/10.14710/jksa.26.7.238-248","url":null,"abstract":"Cancer is a disease characterized by cells forming abnormally so that a buildup can cause lumps. Drug compounds used for anticancer treatment by chemotherapy become a severe problem because they have dangerous side effects and can affect patient’s quality of life. This study aims to discover new drug compounds with lowered toxicity effects. This was achieved by modifying their structures through synthesis, characterization, and estimating the interactions of the synthesized compounds with specific target receptors, utilizing a docking method. The result obtained was a synthesis yield of 36.2%. The characterization of complex compounds was characterized by the presence of a maximum wavelength of 273 nm and a molecular weight of 652 g/mmol, indicating the absorption of Co-O and Co-S at respective wavenumbers of 498 cm-1 and 604 cm- 1. The docking results showed that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex had the best activity on human estrogen receptor alpha (hER alpha) with a binding affinity value of - 9.40 kcal/mol and an inhibition constant of 0.129 M, which was lower than the comparison compound (cisplatin) and had a better pharmacokinetic profile than cisplatin. This study shows that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex is predicted to have potential as an anticancer candidate.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139321598","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}
The cost-effective, efficient, and environmentally friendly corrosion inhibitors have become increasingly significant within the oil and gas sector. Consequently, this research was conducted to evaluate the corrosion inhibition behavior of the amino acids DL-Met and L-Tryp on carbon steel in acidic (0.05 M HCl), alkaline (0.05 M NH4OH), and neutral (3% NaCl) environments. This study used Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP) to assess the performance of amino acids as corrosion inhibitors. The EIS and PDP measurements revealed that DL-Met and L-Tryp exhibited corrosion inhibition effects exclusively in acidic conditions. In this environment, DL-Met demonstrated a corrosion inhibition efficiency (η) of 49.7% at a concentration of 525 ppm, while L-Tryp reached an efficiency of 87.08% at a concentration of 25 ppm. Under the same conditions, DL-Met reduced the corrosion rate from 10 mm/year to 4.468 mm/year, and L-Tryp reduced it from 10.95 mm/year to 5.003 mm/year. However, the corrosion inhibition activity of DL-Met and L-Tryp in neutral and alkaline conditions did not yield positive results according to EIS measurements. In neutral conditions, 100 ppm DL-Met exhibited -22.46% inhibitory activity. Meanwhile, in alkaline conditions, 150 ppm DL-Met and 5 ppm L-Tryp exhibited inhibition efficiencies of -72.39% and -81.9%, respectively. This research aims to provide the oil and gas industry with a natural-based corrosion inhibitor alternative, offering a solution to corrosion-related challenges in acidic conditions.
{"title":"Corrosion Inhibition Behavior of DL-Methionine and L-Tryptophan on Carbon Steel","authors":"Achmad Rochliadi, Aep Patah, Claudia Claudia, Dadang Ramadhan","doi":"10.14710/jksa.26.7.249-260","DOIUrl":"https://doi.org/10.14710/jksa.26.7.249-260","url":null,"abstract":"The cost-effective, efficient, and environmentally friendly corrosion inhibitors have become increasingly significant within the oil and gas sector. Consequently, this research was conducted to evaluate the corrosion inhibition behavior of the amino acids DL-Met and L-Tryp on carbon steel in acidic (0.05 M HCl), alkaline (0.05 M NH4OH), and neutral (3% NaCl) environments. This study used Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP) to assess the performance of amino acids as corrosion inhibitors. The EIS and PDP measurements revealed that DL-Met and L-Tryp exhibited corrosion inhibition effects exclusively in acidic conditions. In this environment, DL-Met demonstrated a corrosion inhibition efficiency (η) of 49.7% at a concentration of 525 ppm, while L-Tryp reached an efficiency of 87.08% at a concentration of 25 ppm. Under the same conditions, DL-Met reduced the corrosion rate from 10 mm/year to 4.468 mm/year, and L-Tryp reduced it from 10.95 mm/year to 5.003 mm/year. However, the corrosion inhibition activity of DL-Met and L-Tryp in neutral and alkaline conditions did not yield positive results according to EIS measurements. In neutral conditions, 100 ppm DL-Met exhibited -22.46% inhibitory activity. Meanwhile, in alkaline conditions, 150 ppm DL-Met and 5 ppm L-Tryp exhibited inhibition efficiencies of -72.39% and -81.9%, respectively. This research aims to provide the oil and gas industry with a natural-based corrosion inhibitor alternative, offering a solution to corrosion-related challenges in acidic conditions.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"209 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139321372","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 : 2023-10-09DOI: 10.14710/jksa.26.7.268-275
Nor Pana Yupa, Henny Purwaningsih, T. Kemala
This research focuses on synthesizing cellulose from corn husks using microwave-assisted extraction (MAE), which aims to produce cellulose from corn husks through liquefaction, delignification, and bleaching processes. The total time required is only 14 minutes, thus shortening the process time. This study used three power variations: 450 W, 600 W, and 800 W. The results showed that the optimum conditions occurred at 800 W power. Hence, the higher the power caused the high cellulose content obtained, which amounted to 75.23% and decreased the lignin value to 15.78%, along with the increase in microwave power. FTIR analysis also confirmed the cellulose results obtained and indicated that the lignin groups were weakened or lost. Furthermore, morphological analysis of cellulose fibers by SEM showed that the surface of cellulose fibers was rough, oval, and irregular due to cracks caused by erosion. Then, the result of cellulose crystallinity using XRD was 45.8%. Compared to conventional methods, microwave-assisted cellulose synthesis exhibits better and more promising potential. This is because microwave radiation can be used to improve process time efficiency and achieve higher yields. Moreover, the proposed method is easier, faster, and straightforward.
{"title":"Synthesis and Characterization of Corn Husk (Zea Mays L.) Cellulose Using Microwave-Assisted Extraction (MAE)","authors":"Nor Pana Yupa, Henny Purwaningsih, T. Kemala","doi":"10.14710/jksa.26.7.268-275","DOIUrl":"https://doi.org/10.14710/jksa.26.7.268-275","url":null,"abstract":"This research focuses on synthesizing cellulose from corn husks using microwave-assisted extraction (MAE), which aims to produce cellulose from corn husks through liquefaction, delignification, and bleaching processes. The total time required is only 14 minutes, thus shortening the process time. This study used three power variations: 450 W, 600 W, and 800 W. The results showed that the optimum conditions occurred at 800 W power. Hence, the higher the power caused the high cellulose content obtained, which amounted to 75.23% and decreased the lignin value to 15.78%, along with the increase in microwave power. FTIR analysis also confirmed the cellulose results obtained and indicated that the lignin groups were weakened or lost. Furthermore, morphological analysis of cellulose fibers by SEM showed that the surface of cellulose fibers was rough, oval, and irregular due to cracks caused by erosion. Then, the result of cellulose crystallinity using XRD was 45.8%. Compared to conventional methods, microwave-assisted cellulose synthesis exhibits better and more promising potential. This is because microwave radiation can be used to improve process time efficiency and achieve higher yields. Moreover, the proposed method is easier, faster, and straightforward.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"68 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139321490","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 : 2023-08-31DOI: 10.14710/jksa.26.6.204-210
Amrina Rosyada, Sri Sugiarti, Irma Herawati Suparto
C-dot is a 0-dimensional nanoparticle with photoluminescence properties and can be synthesized from plants, such as the Kesumba Keling plant. Kesumba Keling contains a red pigment sourced from the bixin and norbixin dyes containing functional groups like ‒COOH and ‒COO‒. These functional groups are anticipated to enhance the luminescence intensity produced by C-dot. This research focuses on synthesizing C-dots from Kesumba Keling seeds and seedpods using hydrothermal and solvothermal methods. It also involves an analysis of how different solvents and passivation agents affect the luminescence of C-dots, along with a comparison of the resulting fluorescent colors. The highest yield, at 73.26%, was achieved when using Kesumba Keling seedpods and ethanol as the solvent without adding urea. Furthermore, C-dots synthesized using ethanol as the solvent display a stronger luminescent glow compared to those produced using double-distilled water as the solvent. Additionally, all C-dots synthesized in this study emit a blue luminescence. Characterizing C-dots using a UV-Vis spectrophotometer reveals absorption peaks at two different wavelengths: 260‒280 nm and 320‒340 nm. These absorption peak results align with C-dot characteristics, as confirmed by Fourier transform infrared spectrophotometry. When comparing the intensity of C-dots, those derived from Kesumba Keling peel using the double-distilled water solvent with the addition of urea exhibit a higher intensity (measuring at 0.99) than C-dots obtained from Kesumba Keling peel using ethanol as a solvent with added urea. The solvothermal method is deemed the most effective for C-dot synthesis, as it yields the highest luminescence intensity, accompanied by an emission wavelength shift to 491.65 nm.
{"title":"Synthesis of Carbon Dot Nanoparticles (C-Dot) from Seeds and Seedpods of Kesumba Keling (Bixa orellana) using Hydrothermal and Solvothermal Methods","authors":"Amrina Rosyada, Sri Sugiarti, Irma Herawati Suparto","doi":"10.14710/jksa.26.6.204-210","DOIUrl":"https://doi.org/10.14710/jksa.26.6.204-210","url":null,"abstract":"C-dot is a 0-dimensional nanoparticle with photoluminescence properties and can be synthesized from plants, such as the Kesumba Keling plant. Kesumba Keling contains a red pigment sourced from the bixin and norbixin dyes containing functional groups like ‒COOH and ‒COO‒. These functional groups are anticipated to enhance the luminescence intensity produced by C-dot. This research focuses on synthesizing C-dots from Kesumba Keling seeds and seedpods using hydrothermal and solvothermal methods. It also involves an analysis of how different solvents and passivation agents affect the luminescence of C-dots, along with a comparison of the resulting fluorescent colors. The highest yield, at 73.26%, was achieved when using Kesumba Keling seedpods and ethanol as the solvent without adding urea. Furthermore, C-dots synthesized using ethanol as the solvent display a stronger luminescent glow compared to those produced using double-distilled water as the solvent. Additionally, all C-dots synthesized in this study emit a blue luminescence. Characterizing C-dots using a UV-Vis spectrophotometer reveals absorption peaks at two different wavelengths: 260‒280 nm and 320‒340 nm. These absorption peak results align with C-dot characteristics, as confirmed by Fourier transform infrared spectrophotometry. When comparing the intensity of C-dots, those derived from Kesumba Keling peel using the double-distilled water solvent with the addition of urea exhibit a higher intensity (measuring at 0.99) than C-dots obtained from Kesumba Keling peel using ethanol as a solvent with added urea. The solvothermal method is deemed the most effective for C-dot synthesis, as it yields the highest luminescence intensity, accompanied by an emission wavelength shift to 491.65 nm.","PeriodicalId":17811,"journal":{"name":"Jurnal Kimia Sains dan Aplikasi","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136035668","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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