The synthesis of cadmium chelates through an electrochemical technique, involving the anodic oxidation of a sacrificial metallic electrode (cadmium) within an H-type cell, is reported. This process utilizes acetonitrile as a solvent with organic compounds containing abstractable hydrogen RH2 (nitroethane, 2-nitropropane, malononitrile and diethylmalonate) serving as the reactants. This study encompasses the coordination complexes of cadmium with ligands, 2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen). The electrochemically synthesized products have been confirmed through various physical measurements, elemental analyses and infrared spectral studies. This one-step electrochemical technique is highly effective in obtaining metal complexes and their coordination complexes. The determination of current efficiency for these synthesized complexes serves to elucidate the underlying reaction mechanism.
报告采用电化学技术合成镉螯合物，包括在 H 型电池中牺牲金属电极（镉）的阳极氧化。该过程以乙腈为溶剂，以含有可抽取氢 RH2 的有机化合物（硝基乙烷、2-硝基丙烷、丙二腈和二乙基丙二酸酯）为反应物。本研究包括镉与配体 2,2′-联吡啶（bipy）或 1,10-菲罗啉（phen）的配位络合物。电化学合成的产品已通过各种物理测量、元素分析和红外光谱研究得到证实。这种一步电化学技术在获得金属配合物及其配位配合物方面非常有效。测定这些合成络合物的电流效率有助于阐明基本反应机制。
{"title":"Electrochemical synthesis of cadmium chelates at sacrificial anode","authors":"Kanchan Bala, Baljit Singh","doi":"10.25303/283rjce019024","DOIUrl":"https://doi.org/10.25303/283rjce019024","url":null,"abstract":"The synthesis of cadmium chelates through an electrochemical technique, involving the anodic oxidation of a sacrificial metallic electrode (cadmium) within an H-type cell, is reported. This process utilizes acetonitrile as a solvent with organic compounds containing abstractable hydrogen RH2 (nitroethane, 2-nitropropane, malononitrile and diethylmalonate) serving as the reactants. This study encompasses the coordination complexes of cadmium with ligands, 2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen). The electrochemically synthesized products have been confirmed through various physical measurements, elemental analyses and infrared spectral studies. This one-step electrochemical technique is highly effective in obtaining metal complexes and their coordination complexes. The determination of current efficiency for these synthesized complexes serves to elucidate the underlying reaction mechanism.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"14 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140478261","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}
Crude oil contamination of soil is becoming a major problem across the globe. Soil contaminated with crude oil leads to deleterious effects on soil microorganisms and plant and human health. For the purpose of remediation of oil contaminated soil, bioremediation has emerged as the most effective technique. The process by which soil pollutants are broken down by an association of plant roots and rhizosphere-dwelling microbes is called rhizoremediation. Plant roots secrete a variety of organic compounds which offer a nutrient and carbon-rich environment surrounding them enhancing the activity of rhizosphere microorganisms. The degradation of petroleum contaminants is caused primarily by the catalysis of intracellular enzymes. Depending on the components present in crude oil, the degradation mechanism is different. Different kinds of microorganisms produce different kinds of enzymes encoded by specific genes which take part in the degradation mechanisms. Being environment-friendly and cost-effective, rhizoremediation has certain limitations - it is a sluggish process and requires more time. To overcome it, there are a variety of amendments like biostimulation and bioaugmentation which increase the efficiency of the process.
{"title":"Role of rhizosphere microorganisms in remediation of crude oil contaminated soil- A Review","authors":"N. Borah, A. Gogoi, R. Nath, L.R. Saikia","doi":"10.25303/283rjce078089","DOIUrl":"https://doi.org/10.25303/283rjce078089","url":null,"abstract":"Crude oil contamination of soil is becoming a major problem across the globe. Soil contaminated with crude oil leads to deleterious effects on soil microorganisms and plant and human health. For the purpose of remediation of oil contaminated soil, bioremediation has emerged as the most effective technique. The process by which soil pollutants are broken down by an association of plant roots and rhizosphere-dwelling microbes is called rhizoremediation. Plant roots secrete a variety of organic compounds which offer a nutrient and carbon-rich environment surrounding them enhancing the activity of rhizosphere microorganisms. The degradation of petroleum contaminants is caused primarily by the catalysis of intracellular enzymes. Depending on the components present in crude oil, the degradation mechanism is different. Different kinds of microorganisms produce different kinds of enzymes encoded by specific genes which take part in the degradation mechanisms. Being environment-friendly and cost-effective, rhizoremediation has certain limitations - it is a sluggish process and requires more time. To overcome it, there are a variety of amendments like biostimulation and bioaugmentation which increase the efficiency of the process.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"107 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140471596","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}
E. Elhefian, E. Elgannoudi, Azizah Mainal, Abdul Hamid Yahaya
Chitosan (CS), a modified carbohydrate polymer derived from chitin by deacetylation, has shown various applications in a variety of industries, including food, cosmetics and packaging. In this work, CS films prepared from CS dissolved in three selected solvents i.e. formic acid (FA), acetic acid (AC) and propionic acid (PA) were investigated by employing scanning electron microscopy (SEM), atomic force microscopy (AFM), FTIR spectral analysis and mechanical tests (MT). SEM measurements showed relatively smooth and homogeneous surfaces for all films confirmed by AFM. The FTIR spectra of all CS films showed similar spectra with a little shift of some bands towards lower or higher wave numbers. In addition, CS film cast from AC recorded the highest elongation at break but the lowest tensile strength among the three types of films used.
{"title":"Characterization of Chitosan Films Cast from Different Solvents: FTIR, Surface and Mechanical Investigations","authors":"E. Elhefian, E. Elgannoudi, Azizah Mainal, Abdul Hamid Yahaya","doi":"10.25303/283rjce025031","DOIUrl":"https://doi.org/10.25303/283rjce025031","url":null,"abstract":"Chitosan (CS), a modified carbohydrate polymer derived from chitin by deacetylation, has shown various applications in a variety of industries, including food, cosmetics and packaging. In this work, CS films prepared from CS dissolved in three selected solvents i.e. formic acid (FA), acetic acid (AC) and propionic acid (PA) were investigated by employing scanning electron microscopy (SEM), atomic force microscopy (AFM), FTIR spectral analysis and mechanical tests (MT). SEM measurements showed relatively smooth and homogeneous surfaces for all films confirmed by AFM. The FTIR spectra of all CS films showed similar spectra with a little shift of some bands towards lower or higher wave numbers. In addition, CS film cast from AC recorded the highest elongation at break but the lowest tensile strength among the three types of films used.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"683 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140476609","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}
Fifty isolates of Staphylococcus aureus bacteria were obtained out of 200 samples collected from clinical sources. The highest resistance to S. aureus bacteria was 100% Benzylpericillin, Oxacillin and Moxiflaxocin antibiotics, 86% Levoflaxacin resistance, 76% Erythromycin resistance, 66% Tetracycline resistance, 64% Tobramycin resistance, 62% Gentamicin resistance, 60% Clindamycin resistance and 58% Trimethoprim/Sulfamethoxazole resistance. It was 38% sensitive to Gentamicin and Clindamycin, 36% sensitive to Tobramycin, 22% sensitive to Erythromycin and 14% sensitive to Levoflaxacin while the results showed the presence of five different sized types of DNA packets when detecting Coa gene of S.aureus bacteria using PCR techniques.
从临床采集的 200 个样本中分离出 50 个金黄色葡萄球菌。金黄色葡萄球菌对苄星青霉素、氧西林和莫西沙星抗生素的耐药性最高，分别为 100%、86%、76%、76%、66%、64%、62%、62%、60% 和 58%，其中对苄星青霉素、氧西林和莫西沙星抗生素的耐药性最高，对左氧氟沙星的耐药性最高，对红霉素的耐药性最高，对四环素的耐药性最高，对妥布霉素的耐药性最高，对庆大霉素的耐药性最高，对克林霉素的耐药性最高，对三甲双胍/磺胺甲噁唑的耐药性最高。利用 PCR 技术检测金黄色葡萄球菌的 Coa 基因时，结果显示存在五种不同大小的 DNA 包。
{"title":"Study of Staphylococcus aureus genotyping using Coagulase gene method","authors":"Sadah Al-Halfi Alaa S., Al-Shammari Maher Zaki Faisal, Khalil Ibrahim Suaad","doi":"10.25303/283rjce040047","DOIUrl":"https://doi.org/10.25303/283rjce040047","url":null,"abstract":"Fifty isolates of Staphylococcus aureus bacteria were obtained out of 200 samples collected from clinical sources. The highest resistance to S. aureus bacteria was 100% Benzylpericillin, Oxacillin and Moxiflaxocin antibiotics, 86% Levoflaxacin resistance, 76% Erythromycin resistance, 66% Tetracycline resistance, 64% Tobramycin resistance, 62% Gentamicin resistance, 60% Clindamycin resistance and 58% Trimethoprim/Sulfamethoxazole resistance. It was 38% sensitive to Gentamicin and Clindamycin, 36% sensitive to Tobramycin, 22% sensitive to Erythromycin and 14% sensitive to Levoflaxacin while the results showed the presence of five different sized types of DNA packets when detecting Coa gene of S.aureus bacteria using PCR techniques.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"464 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140476935","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}
In Sarawak, Malaysia, approximately 7 t of sago fibre waste is produced daily from a single sago starch processing mill and it is currently disposed of either directly into a river nearby or in open spaces. On a dry basis, sago fibre contains 58% starch, 23% cellulose, 9.2% hemicellulose and 4% lignin. Our previous study used the trapped starch of sago fibre as a substrate for producing glucose through an enzymatic hydrolysis process in which the destarched fibre (DSF) remained unused. This study represents an attempt to utilise destarched sago fibre (DSF) as a raw material for glucose and xylose production. The DSF initially underwent a pre-treatment process via dilute sulphuric acid hydrolysis to liberate xylose for which four parameters were studied: the solid-to-liquid ratio (5:100-40:100), the dilute sulphuric acid concentration (0% (v/v) - 9% (v/v)), reaction time (30, 60 and 90 minutes) and the effects of steaming and microwave pre-treatment. Steaming pre-treatment led to the highest xylose (28.19 ± 0.78 g/L) and glucose (78.63 g/L ± 0.22 g/L) production, for which the dilute sulphuric acid concentration was set at 2% (v/v), reaction time was set at 60 minutes. The solid-to-liquid ratio was 30:100. Overall, this work indicates that the optimal pre-treatment of DSF can yield glucose and xylose which can be used to produce bioethanol and xylitol. The study also suggests that DSF can be an alternative raw material for xylitol production.
{"title":"Diluted Sulphuric Acid Hydrolysis of Destarched Sago Fibre assisted with Selected Pre-treatments for Glucose and Xylose Production","authors":"Isfaniza Barji, Dayang Salwani Awang Adeni","doi":"10.25303/281rjce13020","DOIUrl":"https://doi.org/10.25303/281rjce13020","url":null,"abstract":"In Sarawak, Malaysia, approximately 7 t of sago fibre waste is produced daily from a single sago starch processing mill and it is currently disposed of either directly into a river nearby or in open spaces. On a dry basis, sago fibre contains 58% starch, 23% cellulose, 9.2% hemicellulose and 4% lignin. Our previous study used the trapped starch of sago fibre as a substrate for producing glucose through an enzymatic hydrolysis process in which the destarched fibre (DSF) remained unused. This study represents an attempt to utilise destarched sago fibre (DSF) as a raw material for glucose and xylose production. The DSF initially underwent a pre-treatment process via dilute sulphuric acid hydrolysis to liberate xylose for which four parameters were studied: the solid-to-liquid ratio (5:100-40:100), the dilute sulphuric acid concentration (0% (v/v) - 9% (v/v)), reaction time (30, 60 and 90 minutes) and the effects of steaming and microwave pre-treatment. Steaming pre-treatment led to the highest xylose (28.19 ± 0.78 g/L) and glucose (78.63 g/L ± 0.22 g/L) production, for which the dilute sulphuric acid concentration was set at 2% (v/v), reaction time was set at 60 minutes. The solid-to-liquid ratio was 30:100. Overall, this work indicates that the optimal pre-treatment of DSF can yield glucose and xylose which can be used to produce bioethanol and xylitol. The study also suggests that DSF can be an alternative raw material for xylitol production.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"244 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138984815","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}
In this work, degradation of atrazine, an herbicide, is explored through the advanced oxidation process of ozonation. Ozonation can degrade organic as well as inorganic compounds. The study evaluated and analyzed the effect of contact time of ozonation on concentration of atrazine removal as well as chemical oxygen demand (COD) removal of the treated sample. The study also analyzed the effect of initial pH on COD removal. The synthetic sample prepared was having an initial concentration of atrazine as 100 ppb with corresponding COD as 203mg/l. The atrazine removal efficiency was found to be increasing with the increase in ozonation time. Atrazine was observed to degrade more when the pH was alkaline. So, the initial pH was kept as 9.9 and the ozone dose was 9.8 mg/l. The optimum ozonation time was 40 minutes which resulted in COD removal of 55.40 % and atrazine removal of 36.33%. The results showed that atrazine is destroyed by ozone very rapidly.
{"title":"Treatment of Atrazine through Ozonation: Effect of Contact Time on COD and Atrazine Removal","authors":"S. Khurshid, A. R. Quaff, Ramakar Jha","doi":"10.25303/281rjce85090","DOIUrl":"https://doi.org/10.25303/281rjce85090","url":null,"abstract":"In this work, degradation of atrazine, an herbicide, is explored through the advanced oxidation process of ozonation. Ozonation can degrade organic as well as inorganic compounds. The study evaluated and analyzed the effect of contact time of ozonation on concentration of atrazine removal as well as chemical oxygen demand (COD) removal of the treated sample. The study also analyzed the effect of initial pH on COD removal. The synthetic sample prepared was having an initial concentration of atrazine as 100 ppb with corresponding COD as 203mg/l. The atrazine removal efficiency was found to be increasing with the increase in ozonation time. Atrazine was observed to degrade more when the pH was alkaline. So, the initial pH was kept as 9.9 and the ozone dose was 9.8 mg/l. The optimum ozonation time was 40 minutes which resulted in COD removal of 55.40 % and atrazine removal of 36.33%. The results showed that atrazine is destroyed by ozone very rapidly.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"150 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139011941","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}
We have focused on the green synthesis of copper oxide nanoparticles (CuONPs) and zinc oxide nanoparticles (ZnONPs) and CuO coated with ZnO nanocomposite (CuO/ZnO) by using leaf extract of Cimpobogan citrates (CC) as reducing and stabilizing agent. Copper sulfate pentahydrate (CuSO4.5H2O) and zinc acetate dihydrate (Zn(CH3COO)2.2H2O) are the forerunners in the hydrothermal synthesis. The prepared ZnONPs, CuONPs and CuO/ZnO nanocomposite were characterized using various instrument techniques such as Fourier Transform-Infrared spectroscopy (FT-IR), UV-visible spectroscopy (UV-Vis), X-ray diffraction pattern (XRD), Scanning electron microscope (SEM), Energy dispersive X-ray analysis (EDAX) and High Resolution-Transmission Electron microscope (HR-TEM). The results showed that the average size of CuO/ZnO nanocomposite was 20-50 nm. The Tauc plot of CuO/ZnO nanocomposite shows low band gap (1.56ev). Under visible light illumination, methylene blue (MB) was degraded photocatalytically using ZnONPs, CuONPs and CuO/ZnO nanocomposite which was then examined using UV-visible spectroscopy. In comparison to ZnONPs (65%) and CuONPs (80%), CuO/ZnO nanocomposite showed superior photocatalytic activity for the breakdown of MB with a high percentage degradation efficiency (85%). The photocatalytic degradation rate constant was evaluated by using a pseudo-first order kinetic equation. Additionally, the agar disc diffusion method was used to examine the antibacterial activity against two bacterial strains (Escherichia coli and Staphylococcus aureus) and a sizable zone of inhibition against the bacterial strains was found.
{"title":"Leaf extract of Cimbopogan citratus supported CuO/ZnO nanocomposite and their applications in photocatalytic and antibacterial activities","authors":"A. Igneshgrace, E. Sindhuja","doi":"10.25303/281rjce27037","DOIUrl":"https://doi.org/10.25303/281rjce27037","url":null,"abstract":"We have focused on the green synthesis of copper oxide nanoparticles (CuONPs) and zinc oxide nanoparticles (ZnONPs) and CuO coated with ZnO nanocomposite (CuO/ZnO) by using leaf extract of Cimpobogan citrates (CC) as reducing and stabilizing agent. Copper sulfate pentahydrate (CuSO4.5H2O) and zinc acetate dihydrate (Zn(CH3COO)2.2H2O) are the forerunners in the hydrothermal synthesis. The prepared ZnONPs, CuONPs and CuO/ZnO nanocomposite were characterized using various instrument techniques such as Fourier Transform-Infrared spectroscopy (FT-IR), UV-visible spectroscopy (UV-Vis), X-ray diffraction pattern (XRD), Scanning electron microscope (SEM), Energy dispersive X-ray analysis (EDAX) and High Resolution-Transmission Electron microscope (HR-TEM). The results showed that the average size of CuO/ZnO nanocomposite was 20-50 nm. The Tauc plot of CuO/ZnO nanocomposite shows low band gap (1.56ev). Under visible light illumination, methylene blue (MB) was degraded photocatalytically using ZnONPs, CuONPs and CuO/ZnO nanocomposite which was then examined using UV-visible spectroscopy. In comparison to ZnONPs (65%) and CuONPs (80%), CuO/ZnO nanocomposite showed superior photocatalytic activity for the breakdown of MB with a high percentage degradation efficiency (85%). The photocatalytic degradation rate constant was evaluated by using a pseudo-first order kinetic equation. Additionally, the agar disc diffusion method was used to examine the antibacterial activity against two bacterial strains (Escherichia coli and Staphylococcus aureus) and a sizable zone of inhibition against the bacterial strains was found.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"73 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138984852","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}
Preparation and characterization of nanostructured thin films have been reported by many researchers. X-ray photoelectron spectroscopy (XPS) method has been used over few decades in different fields such as superconductor, semiconductor, metallurgy and catalysis. In this work, elemental oxidation state, electronic state, chemical structure and chemical composition were investigated for metal sulfide, metal selenide, metal oxide and metal telluride films. Evaluation of binding energy for the obtained samples was reported. XPS spectra showed that annealing treatment has a very strong effect on the composition of the films. The elemental oxidation state and electronic state were strongly dependent on the specific experimental conditions.
{"title":"A brief overview of X-ray photoelectron spectroscopy characterization of thin films","authors":"Soonmin Ho, A.G. Jacob","doi":"10.25303/281rjce1420160","DOIUrl":"https://doi.org/10.25303/281rjce1420160","url":null,"abstract":"Preparation and characterization of nanostructured thin films have been reported by many researchers. X-ray photoelectron spectroscopy (XPS) method has been used over few decades in different fields such as superconductor, semiconductor, metallurgy and catalysis. In this work, elemental oxidation state, electronic state, chemical structure and chemical composition were investigated for metal sulfide, metal selenide, metal oxide and metal telluride films. Evaluation of binding energy for the obtained samples was reported. XPS spectra showed that annealing treatment has a very strong effect on the composition of the films. The elemental oxidation state and electronic state were strongly dependent on the specific experimental conditions.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"153 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138984970","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}
D. Gupta, Vidya Murugeshwari, Pankaj Kumar, Abhishek Kumar
Depression is a common CNS disorder due to disturbances in the serotonin and dopamine level within the brain. In this study, different derivatives (C1-C32) of oxadiazole-linked chromone were designed and in silico studies were performed to investigate its anti-depressant activities. Compounds were docked with 5HT1 receptors to do so and MMGBSA and ADMET properties were evaluated. Further, compounds pharmacophore modeling and antidepressant activity were calculated using the phase and PASS tools. Among 32 designed compounds, C15, C29 and C31 showed the highest docking scores of -7.617, -7.269 and -7.325 kcal/mol and exhibited significant interaction with 5HT1 receptors compared to the standard drug imipramine. Compound C15 showed the highest binding efficiency with a binding energy of -77.79; the expected common is having a binding energy of -47.20. ADME properties show that all the designed compounds followed the rule of five. Further ligand-receptor complex potential interactions were evaluated using pharmacophore modeling, indicating that the compound has steric and electronic features to ensure the interaction with the selected receptor. Further, the antidepressant activity was predicted. Compounds C15 and C21 have the highest possibility of being antidepressant molecules with 0.827 and 0.833 pa values.
{"title":"Design and in silico evaluation of oxadiazole linked chromone derivatives as anti-depressant agents","authors":"D. Gupta, Vidya Murugeshwari, Pankaj Kumar, Abhishek Kumar","doi":"10.25303/281rjce73079","DOIUrl":"https://doi.org/10.25303/281rjce73079","url":null,"abstract":"Depression is a common CNS disorder due to disturbances in the serotonin and dopamine level within the brain. In this study, different derivatives (C1-C32) of oxadiazole-linked chromone were designed and in silico studies were performed to investigate its anti-depressant activities. Compounds were docked with 5HT1 receptors to do so and MMGBSA and ADMET properties were evaluated. Further, compounds pharmacophore modeling and antidepressant activity were calculated using the phase and PASS tools. Among 32 designed compounds, C15, C29 and C31 showed the highest docking scores of -7.617, -7.269 and -7.325 kcal/mol and exhibited significant interaction with 5HT1 receptors compared to the standard drug imipramine. Compound C15 showed the highest binding efficiency with a binding energy of -77.79; the expected common is having a binding energy of -47.20. ADME properties show that all the designed compounds followed the rule of five. Further ligand-receptor complex potential interactions were evaluated using pharmacophore modeling, indicating that the compound has steric and electronic features to ensure the interaction with the selected receptor. Further, the antidepressant activity was predicted. Compounds C15 and C21 have the highest possibility of being antidepressant molecules with 0.827 and 0.833 pa values.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"160 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138985294","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}
Dinh Thuy Van, P. T. Chính, Pham Thi Tham, Mai Thanh Nga, Thongsaving Ounkuea
In this work, the essential bark oil (EBO) of Illicium verum cultivated at Cao Bang in Vietnam obtained by hydro-distillation was investigated for its chemical composition by gas chromatography-mass spectrometry (GC-MS). Trans-anethole (78.6%), estragole (13.7%), linalool (2.1%) and eucalyptol (2.0%) were determined to be the main components among 14 identified compounds, which accounted for 96.4% of the total EBO. Anti-inflammatory activity of EBO was evaluated by inhibition of nitric oxide (NO) production in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells. EBO exhibited an interesting inhibitory effect on NO production in LPS-stimulated RAW246.7 cells with an inhibitory value at 93.87 μg/mL. From the starting material, trans-anethole isolated from EBO, there are two new amine-derivatives that were synthesized. The structure elucidation of these analogues of trans-anethole was carried out by 1D (1H NMR and 13C NMR) and IR spectral analysis.
{"title":"Chemical components as a potential resource for synthesis of organic compounds and anti-inflammatory activity of essential bark oil of Illicium verum","authors":"Dinh Thuy Van, P. T. Chính, Pham Thi Tham, Mai Thanh Nga, Thongsaving Ounkuea","doi":"10.25303/281rjce68072","DOIUrl":"https://doi.org/10.25303/281rjce68072","url":null,"abstract":"In this work, the essential bark oil (EBO) of Illicium verum cultivated at Cao Bang in Vietnam obtained by hydro-distillation was investigated for its chemical composition by gas chromatography-mass spectrometry (GC-MS). Trans-anethole (78.6%), estragole (13.7%), linalool (2.1%) and eucalyptol (2.0%) were determined to be the main components among 14 identified compounds, which accounted for 96.4% of the total EBO. Anti-inflammatory activity of EBO was evaluated by inhibition of nitric oxide (NO) production in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells. EBO exhibited an interesting inhibitory effect on NO production in LPS-stimulated RAW246.7 cells with an inhibitory value at 93.87 μg/mL. From the starting material, trans-anethole isolated from EBO, there are two new amine-derivatives that were synthesized. The structure elucidation of these analogues of trans-anethole was carried out by 1D (1H NMR and 13C NMR) and IR spectral analysis.","PeriodicalId":21012,"journal":{"name":"Research Journal of Chemistry and Environment","volume":"95 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138984797","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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