R. F. Abbas, Mohammed Jasim Mohammed Hassan, A. Rheima
Recently, magnetic solid-phase extraction (MSPE) is an important technology due to its use in analytical chemistry, biotechnology, and medicinal fields. MSPE shows rapid isolation of target analyte from large volume samples, the huge surface area of magnetic nanoparticles (MNPs), and simplicity in application due to using an external magnetic field instead of using packing column, centrifuge and filter papers. The aim of this review is to evaluate the extraction and determination of dyes in food and water samples by using the MSPE technique.
{"title":"Magnetic Solid Phase Extraction for Determination of Dyes in Food and Water Samples","authors":"R. F. Abbas, Mohammed Jasim Mohammed Hassan, A. Rheima","doi":"10.22146/ijc.80885","DOIUrl":"https://doi.org/10.22146/ijc.80885","url":null,"abstract":"Recently, magnetic solid-phase extraction (MSPE) is an important technology due to its use in analytical chemistry, biotechnology, and medicinal fields. MSPE shows rapid isolation of target analyte from large volume samples, the huge surface area of magnetic nanoparticles (MNPs), and simplicity in application due to using an external magnetic field instead of using packing column, centrifuge and filter papers. The aim of this review is to evaluate the extraction and determination of dyes in food and water samples by using the MSPE technique.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42172841","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}
Mohammed Abed Kadhim, A. Fahmy, E. K. M. Zangana, A. I. Hassaballah, S. Rizk
5,6,7,8-Tetrahydroquinazolin-2-(thio)-ones (THQ) fits the class of N-heterocycles as a structural core in numerous bioactive compounds. They promptly extended previous decades. They were significantly recognized in combinatorial chemistry and materials science to determine the drug discovery, antioxidants, and pharmaceuticals fields. In the present work, one-pot multicomponent sustainable synthesis of THQ with easily accessible starting materials, i.e., cyclohexanone, different aromatic aldehydes and (thio)urea, has been performed to determine the proposed Biginelli mechanism that is supported by DFT. It is found that the THQs are synthesized by a mechano-chemical (grinding) tool to achieve a yield of 85.2% within 3.5 min, i.e., YE (% yield/time) 24.34 differs from the conventional method in which lower % yield (YE = 0.72) of THQ was achieved. This confirmed that in the green chemistry principle, the determination of % yield according to saving reaction time must be considered. Moreover, DFT-based antioxidant properties of the THQ were also studied in which the most potent antioxidant compounds were 7b > 6d > 2f. Softness (σ, eV−1) and hardness (η, eV mol−1) can approve the soft molecule that stays more reactive as a result of decreasing the energy gap along heterocyclic with values 0.1491 > 0.1300 > 0.1168 eV−1 one-to-one with the efficiency of antioxidant.
{"title":"A Sustainable synthesis, eco-safe approach efficiency and DFT study of novel 5,6,7,8-Tetrahyroquinazolin-2(1H)-one derivatives as antioxidant reagents","authors":"Mohammed Abed Kadhim, A. Fahmy, E. K. M. Zangana, A. I. Hassaballah, S. Rizk","doi":"10.22146/ijc.83583","DOIUrl":"https://doi.org/10.22146/ijc.83583","url":null,"abstract":"5,6,7,8-Tetrahydroquinazolin-2-(thio)-ones (THQ) fits the class of N-heterocycles as a structural core in numerous bioactive compounds. They promptly extended previous decades. They were significantly recognized in combinatorial chemistry and materials science to determine the drug discovery, antioxidants, and pharmaceuticals fields. In the present work, one-pot multicomponent sustainable synthesis of THQ with easily accessible starting materials, i.e., cyclohexanone, different aromatic aldehydes and (thio)urea, has been performed to determine the proposed Biginelli mechanism that is supported by DFT. It is found that the THQs are synthesized by a mechano-chemical (grinding) tool to achieve a yield of 85.2% within 3.5 min, i.e., YE (% yield/time) 24.34 differs from the conventional method in which lower % yield (YE = 0.72) of THQ was achieved. This confirmed that in the green chemistry principle, the determination of % yield according to saving reaction time must be considered. Moreover, DFT-based antioxidant properties of the THQ were also studied in which the most potent antioxidant compounds were 7b > 6d > 2f. Softness (σ, eV−1) and hardness (η, eV mol−1) can approve the soft molecule that stays more reactive as a result of decreasing the energy gap along heterocyclic with values 0.1491 > 0.1300 > 0.1168 eV−1 one-to-one with the efficiency of antioxidant.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43730417","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}
Abd. Wahid Rizaldi Akili, A. Hardianto, J. Latip, Maya Ismiyati, T. Herlina
Erythrina crista-galli is commonly used in folk medicines for its pharmacological properties which are associated with the bioactive compounds. Profiling botanical parts of E. crista-galli is an exciting topic and essential to uncover the similarity and clustering based on their chemical content. The botanical parts of E. crista-galli, including bark, flowers, leaves, roots, and twigs, were subjected to pyrolysis-gas chromatography/mass spectrometry. The samples were pyrolyzed using a multi-shot pyrolyzer. The relative abundance of the pyrolysate was subjected to multivariate analysis, i.e., principal component analysis (PCA) and hierarchical cluster analysis (HCA). The scree plot for PC.1, PC. 2, and PC. 3 accounted for 36.5%, 27.2%, and 20.3%, respectively. Together, the first three PCs explain 84% of the total variance. The PCA allows characterizing the roots of E. crista-galli by the highest relative abundance of lignin G, followed by the twigs, bark, and leaves, while the flowers had the least relative abundance of lignin G. The HCA allows to cluster the botanical parts of E. crista-galli into three different clusters based on their chemical component similarity, i.e., flowers-leaves, twigs, and roots-bark. In conclusion, Py-GC/MS analysis can be used in conjunction with multivariate data analysis to characterize the botanical parts of E. crista-galli.
{"title":"Characterization of Botanical Parts of Erythrina crista-galli Using Pyrolysis-Gas Chromatography/Mass Spectrometry and Multivariate Analysis","authors":"Abd. Wahid Rizaldi Akili, A. Hardianto, J. Latip, Maya Ismiyati, T. Herlina","doi":"10.22146/ijc.77325","DOIUrl":"https://doi.org/10.22146/ijc.77325","url":null,"abstract":"Erythrina crista-galli is commonly used in folk medicines for its pharmacological properties which are associated with the bioactive compounds. Profiling botanical parts of E. crista-galli is an exciting topic and essential to uncover the similarity and clustering based on their chemical content. The botanical parts of E. crista-galli, including bark, flowers, leaves, roots, and twigs, were subjected to pyrolysis-gas chromatography/mass spectrometry. The samples were pyrolyzed using a multi-shot pyrolyzer. The relative abundance of the pyrolysate was subjected to multivariate analysis, i.e., principal component analysis (PCA) and hierarchical cluster analysis (HCA). The scree plot for PC.1, PC. 2, and PC. 3 accounted for 36.5%, 27.2%, and 20.3%, respectively. Together, the first three PCs explain 84% of the total variance. The PCA allows characterizing the roots of E. crista-galli by the highest relative abundance of lignin G, followed by the twigs, bark, and leaves, while the flowers had the least relative abundance of lignin G. The HCA allows to cluster the botanical parts of E. crista-galli into three different clusters based on their chemical component similarity, i.e., flowers-leaves, twigs, and roots-bark. In conclusion, Py-GC/MS analysis can be used in conjunction with multivariate data analysis to characterize the botanical parts of E. crista-galli.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47440406","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}
Dimas Adhi Pradana, E. Kristin, A. Nugroho, D. Nugrahaningsih, M. Mustofa, A. Wibowo
This study aims to validate the method for measuring metformin hydrochloride plasma concentrations using High-Performance Liquid Chromatography (HPLC). This research performed chromatography on a 250 mm 4.6 mm 5 µm purosphere® Star RP-18 column at ambient temperature with a UV detector system at 233 nm. The mobile phase components were 70% phosphate buffer (KH2PO4) (10 mM), sodium dodecyl sulfate (0.3 mM), and 30% acetonitrile. It was pumped at an isocratic flow rate of 1.2 mL/min. Metformin HCl and ranitidine HCl (internal standard) were extracted using acetonitrile. The calibration curve was linear (R2 = 0.9998) in the 0.18–6 µg/mL concentration range. The lower limit of quantification (LLOQ) was 0.18 µg/mL. For intraday accuracy and precision, the percent difference and the coefficient of variation were less than 4 and 7%, and for inter-day were lower than 8 and 6%. The recovery average was 100.96%. The short-term plasma stability test was stable at 24 h at ambient temperature, and the long-term stability test was steady for 30 d at −20 °C. It was also stable after three freeze-thaw cycles. The method meets selectivity, sensitivity, linearity, accuracy, precision, recovery, carryover, and stability requirements and can be applied to population-based pharmacokinetic modeling.
本研究旨在验证高效液相色谱法测定盐酸二甲双胍血浆浓度的方法。本研究在250 mm 4.6 mm 5µm purosphere®Star RP-18色谱柱上进行色谱，室温下使用紫外检测器系统，波长为233 nm。流动相组成为70%磷酸缓冲液(KH2PO4) (10 mM)、十二烷基硫酸钠(0.3 mM)、30%乙腈。以等压流速1.2 mL/min泵送。用乙腈法提取盐酸二甲双胍和盐酸雷尼替丁(内标)。在0.18 ~ 6µg/mL浓度范围内，标定曲线呈线性关系(R2 = 0.9998)。定量下限为0.18µg/mL。日内准确度和精密度的百分比差和变异系数分别小于4%和7%，日内准确度和精密度的百分比差和变异系数分别小于8%和6%。平均回收率为100.96%。短期血浆稳定性试验在常温下24 h稳定，长期稳定性试验在−20℃下30 d稳定。经过三次冻融循环后也保持稳定。该方法满足选择性、灵敏度、线性、准确度、精密度、回收率、携带性和稳定性要求，可用于基于人群的药代动力学建模。
{"title":"Bioanalytical Method Validation of Metformin Hydrochloride in Human Plasma by HPLC-UV for Preliminary Population-Based Pharmacokinetic Modeling Study","authors":"Dimas Adhi Pradana, E. Kristin, A. Nugroho, D. Nugrahaningsih, M. Mustofa, A. Wibowo","doi":"10.22146/ijc.77903","DOIUrl":"https://doi.org/10.22146/ijc.77903","url":null,"abstract":"This study aims to validate the method for measuring metformin hydrochloride plasma concentrations using High-Performance Liquid Chromatography (HPLC). This research performed chromatography on a 250 mm 4.6 mm 5 µm purosphere® Star RP-18 column at ambient temperature with a UV detector system at 233 nm. The mobile phase components were 70% phosphate buffer (KH2PO4) (10 mM), sodium dodecyl sulfate (0.3 mM), and 30% acetonitrile. It was pumped at an isocratic flow rate of 1.2 mL/min. Metformin HCl and ranitidine HCl (internal standard) were extracted using acetonitrile. The calibration curve was linear (R2 = 0.9998) in the 0.18–6 µg/mL concentration range. The lower limit of quantification (LLOQ) was 0.18 µg/mL. For intraday accuracy and precision, the percent difference and the coefficient of variation were less than 4 and 7%, and for inter-day were lower than 8 and 6%. The recovery average was 100.96%. The short-term plasma stability test was stable at 24 h at ambient temperature, and the long-term stability test was steady for 30 d at −20 °C. It was also stable after three freeze-thaw cycles. The method meets selectivity, sensitivity, linearity, accuracy, precision, recovery, carryover, and stability requirements and can be applied to population-based pharmacokinetic modeling.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68323021","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}
S. Khanifah, Alda Dwi Karina Legowo, S. Sholihun, A. Nugraheni
Composites of polyvinyl alcohol (PVA) and chitosan (CH) polymers, with the addition of anthocyanin (AN) obtained from the butterfly pea flower, were prepared using drop-casting. The composites were made by adding different concentrations of 5–40% anthocyanin with 5 wt.% PVA and 2 wt.% CH solutions (weight ratio of PVA/CH is 80:20). These polymers solution was mixed at 80 °C and dried using the drop-casting method at 25 °C for 48 h. The composites were characterized using a scanning electron microscope (SEM), Fourier-transform infrared (FTIR), ultraviolet-visible (UV–vis spectroscopy), contact angle, antibacterial properties, and food packaging applications. The morphology obtained using an SEM showed that the PVA/CH surface with AN and glycerol was smoother than that of PVA/CH. The increased absorption at a wavelength of 650–700 nm from UV-vis spectroscopy confirmed the success addition of AN. The contact angles of PVA/CH/AN and PVA/CH/GS/AN films were 15°–66°, which showed that the films were hydrophilic. The simple antibacterial test with Escherichia coli and Staphylococcus aureus showed 16 mm inhibition zone by adding AN. The test results of these characteristics show the potential for using PVA/CH/AN and PVA/CH/GS/AN composite film to be used as an excellent development food packaging material.
{"title":"Physical Properties of Polyvinyl Alcohol/Chitosan Films with the Addition of Anthocyanin Extract from Butterfly Pea for Food Packaging Applications","authors":"S. Khanifah, Alda Dwi Karina Legowo, S. Sholihun, A. Nugraheni","doi":"10.22146/ijc.80946","DOIUrl":"https://doi.org/10.22146/ijc.80946","url":null,"abstract":"Composites of polyvinyl alcohol (PVA) and chitosan (CH) polymers, with the addition of anthocyanin (AN) obtained from the butterfly pea flower, were prepared using drop-casting. The composites were made by adding different concentrations of 5–40% anthocyanin with 5 wt.% PVA and 2 wt.% CH solutions (weight ratio of PVA/CH is 80:20). These polymers solution was mixed at 80 °C and dried using the drop-casting method at 25 °C for 48 h. The composites were characterized using a scanning electron microscope (SEM), Fourier-transform infrared (FTIR), ultraviolet-visible (UV–vis spectroscopy), contact angle, antibacterial properties, and food packaging applications. The morphology obtained using an SEM showed that the PVA/CH surface with AN and glycerol was smoother than that of PVA/CH. The increased absorption at a wavelength of 650–700 nm from UV-vis spectroscopy confirmed the success addition of AN. The contact angles of PVA/CH/AN and PVA/CH/GS/AN films were 15°–66°, which showed that the films were hydrophilic. The simple antibacterial test with Escherichia coli and Staphylococcus aureus showed 16 mm inhibition zone by adding AN. The test results of these characteristics show the potential for using PVA/CH/AN and PVA/CH/GS/AN composite film to be used as an excellent development food packaging material.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46424597","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}
Essential oils are compounds extracted from plants and obtained by distillation. Indonesia has many kinds of plant commodities for essential oil production. Among the essential oils that have not been developed in Indonesia is citronella oil which can be extracted from the lemongrass plant this research, we develop Microwave Hydro-Distillation (MHD) method has several advantages over conventional distillation methods: shorter time, higher oil quality and yield. This research proposes to extract citronella oil from lemongrass leaves using the MHD method using aquadest and NaCl solution addition. Operating variables are extraction time (20–180 min), material size (0.5, 1.0, and 1.5 cm), feed-to-solvent ratio (0.1; 0.15; and 0.2 g/mL), and microwave power (300, 450, and 600 watts). The essential oil results are analyzed by GC-MS analysis, specific gravity, refractive index, and solubility. The results showed that it increased with extraction time followed by almost constant conditions, tended to decrease with increasing feed-to-solvent ratio, and increased yield with increasing microwave power. The results from the GC-MS analysis, the active substance content of geraniol was 46.61% and citronellal 5.62%. Additional salt in this method is a green and clean essential oil extraction.
{"title":"Effect of Addition of NaCl Salt on Extraction of Essential Oil from Lemongrass Leaves by Microwave Hydro-Distillation Method","authors":"F. Suryanti, L. Qadariyah, M. Mahfud","doi":"10.22146/ijc.78919","DOIUrl":"https://doi.org/10.22146/ijc.78919","url":null,"abstract":"Essential oils are compounds extracted from plants and obtained by distillation. Indonesia has many kinds of plant commodities for essential oil production. Among the essential oils that have not been developed in Indonesia is citronella oil which can be extracted from the lemongrass plant this research, we develop Microwave Hydro-Distillation (MHD) method has several advantages over conventional distillation methods: shorter time, higher oil quality and yield. This research proposes to extract citronella oil from lemongrass leaves using the MHD method using aquadest and NaCl solution addition. Operating variables are extraction time (20–180 min), material size (0.5, 1.0, and 1.5 cm), feed-to-solvent ratio (0.1; 0.15; and 0.2 g/mL), and microwave power (300, 450, and 600 watts). The essential oil results are analyzed by GC-MS analysis, specific gravity, refractive index, and solubility. The results showed that it increased with extraction time followed by almost constant conditions, tended to decrease with increasing feed-to-solvent ratio, and increased yield with increasing microwave power. The results from the GC-MS analysis, the active substance content of geraniol was 46.61% and citronellal 5.62%. Additional salt in this method is a green and clean essential oil extraction.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49101897","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}
A strategy to design an injection valve for a streamlined flow injection technique is described as speed and low-cost materials available in the environment for the determination of Pb(II) ion using the organic reagent 4-((4-methoxyphenyl)diazenyl)benzene-1,3-diol at a wavelength of 498 nm. The scope of the study is to find the optimal conditions, including the flow rate of the carrier, the dispersion coefficient, the length of the reaction coil, and the calibration drawing. The results showed that the optimum length of the reaction coil is 20 cm, and the optimum flow rate is 9.1 mL/min, which is equivalent to the pumping rate of 70 F/min. The range of linearity of the study was revealed by a calibration curve of 0.5–27 mg/L, slope = 1.507, correlation coefficient = 0.9995, the limit of quantitative (LOQ) = 0.088 mg/L, and limit of detection (LOD) = 0.026 mg/L. The system under study has a characteristic efficiency. The dispersion coefficient was calculated for concentrations of 10–15 mg/L Pb(II) ion. Furthermore, the accuracy of the flow injection technique in the estimation process was studied and compared with the Flame Atomic Absorption Spectroscopy (FAAS) technique.
{"title":"New Design Valve in Flow Injection System for the Determination of Pb(II) in Biological and Environmental Samples","authors":"T. Jassim, Raisan Kadhim Taresh","doi":"10.22146/ijc.83367","DOIUrl":"https://doi.org/10.22146/ijc.83367","url":null,"abstract":"A strategy to design an injection valve for a streamlined flow injection technique is described as speed and low-cost materials available in the environment for the determination of Pb(II) ion using the organic reagent 4-((4-methoxyphenyl)diazenyl)benzene-1,3-diol at a wavelength of 498 nm. The scope of the study is to find the optimal conditions, including the flow rate of the carrier, the dispersion coefficient, the length of the reaction coil, and the calibration drawing. The results showed that the optimum length of the reaction coil is 20 cm, and the optimum flow rate is 9.1 mL/min, which is equivalent to the pumping rate of 70 F/min. The range of linearity of the study was revealed by a calibration curve of 0.5–27 mg/L, slope = 1.507, correlation coefficient = 0.9995, the limit of quantitative (LOQ) = 0.088 mg/L, and limit of detection (LOD) = 0.026 mg/L. The system under study has a characteristic efficiency. The dispersion coefficient was calculated for concentrations of 10–15 mg/L Pb(II) ion. Furthermore, the accuracy of the flow injection technique in the estimation process was studied and compared with the Flame Atomic Absorption Spectroscopy (FAAS) technique.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48637668","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}
Yusuf Syaril Alam, P. Pudjiastuti, Saipul Maulana, Nur Rahmayanti Afifah, F. Martak, A. Fadlan, T. Wahyuni, S. Arief
Two new of N’-benzylidenebenzohydrazide (NBB) derivatives were successfully synthesized and yielded 50–58%. FTIR, ESI-MS, 1H-NMR and 13C-NMR were used to investigate the characteristic of NBB derivates. The structure and relationship of NBB derivatives into α-glucosidase and α-amylase as good targets for diabetes treatment were evaluated using in silico screening. Molecular Mechanics-Poisson Boltzmann/Generalized Born Surface Area (MM-PB/GBSA) was used to calculate the free binding energy (ΔGbind (MM-GBSA)) of NBB to α-glucosidase and α-amylase receptors showed that the results of −0.45 and −20.79 kcal/mol respectively. In the ortho position, NBB derivatives exhibited electron donating groups (EDG like -OCH3, -OH and -Cl with binding free energies of −21.94, −6.71 and 21.94, respectively, and acarbose, a native ligand energy of 32.62 kcal/mol. In addition, the binding free energy of N-2-(-OCH3, -OH and -Cl)-NBB to the α-amylase receptor showed the number of −39.33, −43.96, −42.81, respectively and −46.51 kcal/mol in comparing with a native ligand. As a result, it was found that all the NBB derivatives were able to interact with several amino acids in the α-glucosidase cavity as well as the native ones, including Ala281, Asp282, and Asp616. NBB and native ligand showed similar interaction between α-amylase with Gly110 amino acid residue.
{"title":"Synthesis and Antidiabetic Evaluation of N’-Benzylidenebenzohydrazide Derivatives by In Silico Studies","authors":"Yusuf Syaril Alam, P. Pudjiastuti, Saipul Maulana, Nur Rahmayanti Afifah, F. Martak, A. Fadlan, T. Wahyuni, S. Arief","doi":"10.22146/ijc.82073","DOIUrl":"https://doi.org/10.22146/ijc.82073","url":null,"abstract":"Two new of N’-benzylidenebenzohydrazide (NBB) derivatives were successfully synthesized and yielded 50–58%. FTIR, ESI-MS, 1H-NMR and 13C-NMR were used to investigate the characteristic of NBB derivates. The structure and relationship of NBB derivatives into α-glucosidase and α-amylase as good targets for diabetes treatment were evaluated using in silico screening. Molecular Mechanics-Poisson Boltzmann/Generalized Born Surface Area (MM-PB/GBSA) was used to calculate the free binding energy (ΔGbind (MM-GBSA)) of NBB to α-glucosidase and α-amylase receptors showed that the results of −0.45 and −20.79 kcal/mol respectively. In the ortho position, NBB derivatives exhibited electron donating groups (EDG like -OCH3, -OH and -Cl with binding free energies of −21.94, −6.71 and 21.94, respectively, and acarbose, a native ligand energy of 32.62 kcal/mol. In addition, the binding free energy of N-2-(-OCH3, -OH and -Cl)-NBB to the α-amylase receptor showed the number of −39.33, −43.96, −42.81, respectively and −46.51 kcal/mol in comparing with a native ligand. As a result, it was found that all the NBB derivatives were able to interact with several amino acids in the α-glucosidase cavity as well as the native ones, including Ala281, Asp282, and Asp616. NBB and native ligand showed similar interaction between α-amylase with Gly110 amino acid residue.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48544270","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}
S. Y. Prabawati, Priyagung Dhemi Widiakongko, Mohammad Ahsani Taqwim
This study examines the use of coffee dregs waste as biosorbents of Cu(II) and Ag(I). Coffee dregs waste still contains a high level of carbon and cellulose for biosorbents production. The production process was started with charcoal activation using H3PO4. The batch method was applied by variations of contact time, the mass of the biosorbent, and the initial concentration of metal ions. The results showed that Cu(II) and Ag(I) were optimally adsorbed at pH 6 and 4, respectively. The amount of adsorbed metal ions increased with adsorption contact time. The adsorption process of both metal ions reaches stability within 60 min and the optimum biosorbent mass is 1 g. Isothermal adsorption studies show that Cu(II) adsorption tends to follow Langmuir isotherm with an adsorption energy of 31.42 kJ/mol and Ag(I) adsorption follows Freundlich isotherms with an adsorption energy of 27.74 kJ/mol. Based on the results, the interaction between metal ions and adsorbents is a chemical adsorption process and coffee dregs charcoal has the potential to adsorb Cu(II) and Ag(I) metal ions.
{"title":"Activated Charcoal from Coffee Dregs Waste as an Alternative Biosorbent of Cu(II) and Ag(I)","authors":"S. Y. Prabawati, Priyagung Dhemi Widiakongko, Mohammad Ahsani Taqwim","doi":"10.22146/ijc.83269","DOIUrl":"https://doi.org/10.22146/ijc.83269","url":null,"abstract":"This study examines the use of coffee dregs waste as biosorbents of Cu(II) and Ag(I). Coffee dregs waste still contains a high level of carbon and cellulose for biosorbents production. The production process was started with charcoal activation using H3PO4. The batch method was applied by variations of contact time, the mass of the biosorbent, and the initial concentration of metal ions. The results showed that Cu(II) and Ag(I) were optimally adsorbed at pH 6 and 4, respectively. The amount of adsorbed metal ions increased with adsorption contact time. The adsorption process of both metal ions reaches stability within 60 min and the optimum biosorbent mass is 1 g. Isothermal adsorption studies show that Cu(II) adsorption tends to follow Langmuir isotherm with an adsorption energy of 31.42 kJ/mol and Ag(I) adsorption follows Freundlich isotherms with an adsorption energy of 27.74 kJ/mol. Based on the results, the interaction between metal ions and adsorbents is a chemical adsorption process and coffee dregs charcoal has the potential to adsorb Cu(II) and Ag(I) metal ions.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49557986","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}
N. R. Mu'izzah, P. Z. Hapsari, N. Aulia, D. W. T. Wulansari, Fauziyah Azhari, E. Pramono
A study on the polyvinylidene fluoride (PVDF) membrane using lignin and lignosulfonate oil palm empty fruit bunch (OPEFB) fillers have been carried out. This study aims to determine the additional effect of lignin and lignosulfonate on PVDF membrane. Lignin sulfonation has a good result proven by Fourier transform infrared spectra with a peak at 1192 cm−1 which indicates sulfonate group. The sulfonation degree was increased by 8.9% for lignosulfonate. The membrane was prepared by the phase inversion method. Data present that all the membranes have an asymmetric structure with finger-like and sponge-like pores. Good thermal stability indicated by thermal gravimetric analysis showed degradation at 432 °C. The mechanical properties of the membrane decrease with the addition of filler. From the X-ray diffraction, peaks appeared at 18.39°, 21.35°, and 23.75° for all the membranes indicating of α and β phases. Lignin and lignosulfonate increased membrane hydrophilicity and water uptake. The presence of the sulfonate group increases the ionic exchange capacity and ionic conductivity up to 2.78 mmol/g and 9.95 × 10−5 S/cm, respectively, for 5% lignosulfonate addition. Thus, PVDF/lignosulfonate has the potential as a polymer electrolyte membrane.
{"title":"Utilization of Lignin and Lignosulfonate from Oil Palm Empty Fruit Bunches as Filler in PVDF Proton Exchange Membrane Fuel Cell","authors":"N. R. Mu'izzah, P. Z. Hapsari, N. Aulia, D. W. T. Wulansari, Fauziyah Azhari, E. Pramono","doi":"10.22146/ijc.81750","DOIUrl":"https://doi.org/10.22146/ijc.81750","url":null,"abstract":"A study on the polyvinylidene fluoride (PVDF) membrane using lignin and lignosulfonate oil palm empty fruit bunch (OPEFB) fillers have been carried out. This study aims to determine the additional effect of lignin and lignosulfonate on PVDF membrane. Lignin sulfonation has a good result proven by Fourier transform infrared spectra with a peak at 1192 cm−1 which indicates sulfonate group. The sulfonation degree was increased by 8.9% for lignosulfonate. The membrane was prepared by the phase inversion method. Data present that all the membranes have an asymmetric structure with finger-like and sponge-like pores. Good thermal stability indicated by thermal gravimetric analysis showed degradation at 432 °C. The mechanical properties of the membrane decrease with the addition of filler. From the X-ray diffraction, peaks appeared at 18.39°, 21.35°, and 23.75° for all the membranes indicating of α and β phases. Lignin and lignosulfonate increased membrane hydrophilicity and water uptake. The presence of the sulfonate group increases the ionic exchange capacity and ionic conductivity up to 2.78 mmol/g and 9.95 × 10−5 S/cm, respectively, for 5% lignosulfonate addition. Thus, PVDF/lignosulfonate has the potential as a polymer electrolyte membrane.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47755074","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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