Pub Date : 2024-02-22DOI: 10.52711/0974-4150.2024.00001
Charles Owino Oloo, Nthiga E. W, Douglas Onyancha, Gerald K. Muthakia
The kinetics and isotherm modeling of adsorption of Cr3+ ions onto unmodified coffee husk (UCH) and acid modified coffee husk (MCH) biosorbent were successfully studied in batch experiments. Equilibrium data were analyzed by Langmuir and Freundlich isotherm models. Equilibrium data best fitted to Langmuir isotherm. The Langmuir adsorption capacity was higher in MCH (6.64 mg/g) compared to the UCH (3.85 mg/g). The adsorption constant, b, was less than one in the two adsorption processes suggesting a high affinity of both the UCH and MCH adsorbent for Cr3+ ions. The experimental data were fitted well with pseudo second order kinetics with best fitness for both the UCH and MCH with regression coefficient (R2) of 0.9792 and 0.9956, respectively. The findings revealed that the unmodified and modified coffee husks have potential in removal of Cr3+ from tannery wastewater
{"title":"Kinetic and Isotherm Modelling of adsorption of Cr3+ metal ions from Tannery wastewater on to unmodified and acid-modified Arabica coffee husks biosorbents","authors":"Charles Owino Oloo, Nthiga E. W, Douglas Onyancha, Gerald K. Muthakia","doi":"10.52711/0974-4150.2024.00001","DOIUrl":"https://doi.org/10.52711/0974-4150.2024.00001","url":null,"abstract":"The kinetics and isotherm modeling of adsorption of Cr3+ ions onto unmodified coffee husk (UCH) and acid modified coffee husk (MCH) biosorbent were successfully studied in batch experiments. Equilibrium data were analyzed by Langmuir and Freundlich isotherm models. Equilibrium data best fitted to Langmuir isotherm. The Langmuir adsorption capacity was higher in MCH (6.64 mg/g) compared to the UCH (3.85 mg/g). The adsorption constant, b, was less than one in the two adsorption processes suggesting a high affinity of both the UCH and MCH adsorbent for Cr3+ ions. The experimental data were fitted well with pseudo second order kinetics with best fitness for both the UCH and MCH with regression coefficient (R2) of 0.9792 and 0.9956, respectively. The findings revealed that the unmodified and modified coffee husks have potential in removal of Cr3+ from tannery wastewater","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140438938","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 : 2024-02-22DOI: 10.52711/0974-4150.2024.00012
A. Vasanth, Santhosh Gopi, Sushmitha Akkaiah
Organochlorines are a group of chlorinated hydrocarbons widely used as pesticides in many countries. Various studies conducted by researchers have revealed that these chemicals can potentially cause male reproductive disorders. In today's world, both humans and wildlife are constantly exposed to numerous chemical residues present in the air, food, and water. Organochlorines, which consist of carbon, hydrogen, and chlorine, are pervasive pollutants encompassing a range of compounds, including chlorinated insecticides, solvents, and fumigants used worldwide. Exposure to organochlorine chemicals has raised concerns due to their association with various detrimental effects on human health. One particular concern is their potential implication in reproductive toxicity and endocrine disruption, as these chemicals persist in the environment. Organochlorines have the ability to interfere with normal hormonal function in both animals and humans. Laboratory animals and wildlife exposed to these endocrine-disrupting chemicals have exhibited reproductive abnormalities such as the feminization of males, abnormal sexual behavior, birth defects, altered sex ratios, decreased sperm production, reduced testicular size, infertility, and thyroid dysfunction. This review focuses on the adverse effects of different organochlorine chemicals on the male reproductive system, emphasizing the need for limited use of organochlorines to enhance the quality of life and promote human welfare.
{"title":"A Review of Organochlorine-induced Male Reproductive Disorders","authors":"A. Vasanth, Santhosh Gopi, Sushmitha Akkaiah","doi":"10.52711/0974-4150.2024.00012","DOIUrl":"https://doi.org/10.52711/0974-4150.2024.00012","url":null,"abstract":"Organochlorines are a group of chlorinated hydrocarbons widely used as pesticides in many countries. Various studies conducted by researchers have revealed that these chemicals can potentially cause male reproductive disorders. In today's world, both humans and wildlife are constantly exposed to numerous chemical residues present in the air, food, and water. Organochlorines, which consist of carbon, hydrogen, and chlorine, are pervasive pollutants encompassing a range of compounds, including chlorinated insecticides, solvents, and fumigants used worldwide. Exposure to organochlorine chemicals has raised concerns due to their association with various detrimental effects on human health. One particular concern is their potential implication in reproductive toxicity and endocrine disruption, as these chemicals persist in the environment. Organochlorines have the ability to interfere with normal hormonal function in both animals and humans. Laboratory animals and wildlife exposed to these endocrine-disrupting chemicals have exhibited reproductive abnormalities such as the feminization of males, abnormal sexual behavior, birth defects, altered sex ratios, decreased sperm production, reduced testicular size, infertility, and thyroid dysfunction. This review focuses on the adverse effects of different organochlorine chemicals on the male reproductive system, emphasizing the need for limited use of organochlorines to enhance the quality of life and promote human welfare.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140441238","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 : 2023-07-01DOI: 10.22271/reschem.2023.v4.i2a.95
Didi Dwi Anggoro, Sudiyarmanto ., Wawan Rustyawan, Rizka Shafira, Brilliant Umara Le Monde
Boehmite is one of the aluminium derivatives that consists of oxygen and hydroxyl groups. Boehmite is a very profitable material with a promising future, notably as a catalyst for the production of other chemicals. Surface modification of boehmite can be done with different functional groups to produce supported-catalysts, catalysts, adsorbents, reagents, membranes, coatings, optical materials, corrosion inhibitors, and composite materials. Synthesis process influences the properties of boehmite. Specific properties are needed to produce a specific application of boehmite, as every application requires specific properties. The shape, structure, and morphology of the boehmite depend heavily on the treatment and the condition of the process. To manufacture high-quality boehmite with economic and environmental friendly, it is necessary to evaluate the effectiveness of the production process. This review provides a brief explanation of the publicly available information published in recent years on the synthesis of boehmite with various synthesis method.
{"title":"The utilized of aluminium (Al) for boehmite as catalyst: Brief review","authors":"Didi Dwi Anggoro, Sudiyarmanto ., Wawan Rustyawan, Rizka Shafira, Brilliant Umara Le Monde","doi":"10.22271/reschem.2023.v4.i2a.95","DOIUrl":"https://doi.org/10.22271/reschem.2023.v4.i2a.95","url":null,"abstract":"Boehmite is one of the aluminium derivatives that consists of oxygen and hydroxyl groups. Boehmite is a very profitable material with a promising future, notably as a catalyst for the production of other chemicals. Surface modification of boehmite can be done with different functional groups to produce supported-catalysts, catalysts, adsorbents, reagents, membranes, coatings, optical materials, corrosion inhibitors, and composite materials. Synthesis process influences the properties of boehmite. Specific properties are needed to produce a specific application of boehmite, as every application requires specific properties. The shape, structure, and morphology of the boehmite depend heavily on the treatment and the condition of the process. To manufacture high-quality boehmite with economic and environmental friendly, it is necessary to evaluate the effectiveness of the production process. This review provides a brief explanation of the publicly available information published in recent years on the synthesis of boehmite with various synthesis method.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135804976","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 : 2023-07-01DOI: 10.22271/reschem.2023.v4.i2a.96
Didi Dwi Anggoro, Luqman Buchori, Muhammad Fadila Putra, Brilliant Umara Le Monde
Throughout refinement, catalysts are switched off in commercial catalytic processes. When they are not tuned, catalysts become dangerous. Deactivation catalyst is mostly wasted FCC catalyst as a result of heavy metal coke, poison, and sintering. Regenerating a deactivated catalyst could eliminate the metals while resurrecting the very desirable catalytic activity. While there are a few a variety of physical, chemical, and thermal treatment methods for removing metals, it is still difficult to discover reliable, effective, and cost-effective regeneration strategies for catalytic processes in commercial application. In addition, the effect of relevant reaction parameters on the route for regenerating utilized catalyst was investigated, and suggestions were made for the future of this research. This brief review offers an important evaluation of the material recently made publicly available on the reuse of used FCC catalyst by oxidation, gasification, and chemical processes, could potentially provide some insight into the development and improvement of catalysts as well as associated processes.
{"title":"Regeneration method for spent FCC catalysts: Brief Review","authors":"Didi Dwi Anggoro, Luqman Buchori, Muhammad Fadila Putra, Brilliant Umara Le Monde","doi":"10.22271/reschem.2023.v4.i2a.96","DOIUrl":"https://doi.org/10.22271/reschem.2023.v4.i2a.96","url":null,"abstract":"Throughout refinement, catalysts are switched off in commercial catalytic processes. When they are not tuned, catalysts become dangerous. Deactivation catalyst is mostly wasted FCC catalyst as a result of heavy metal coke, poison, and sintering. Regenerating a deactivated catalyst could eliminate the metals while resurrecting the very desirable catalytic activity. While there are a few a variety of physical, chemical, and thermal treatment methods for removing metals, it is still difficult to discover reliable, effective, and cost-effective regeneration strategies for catalytic processes in commercial application. In addition, the effect of relevant reaction parameters on the route for regenerating utilized catalyst was investigated, and suggestions were made for the future of this research. This brief review offers an important evaluation of the material recently made publicly available on the reuse of used FCC catalyst by oxidation, gasification, and chemical processes, could potentially provide some insight into the development and improvement of catalysts as well as associated processes.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135807234","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 : 2023-07-01DOI: 10.22271/reschem.2023.v4.i2b.98
Bhimraj Gawade
The main objective of the present investigation study was to analyze the phytochemical ingredients and alpha amylase inhibition activity of aqueous extract of Cassia siamea Lam plant leaves. Phytochemical ingredients analysis was performed by using LC-MS/MS analysis spectral technique and qualitative analysis through the well-known standard tests protocol available in the literature. Also study was aimed to investigate alpha amylase inhibition activity of leaves aqueous extract of Cassia siamea Lam as well established bioactive phytochemical ingredients responsible for such activity by porcine pancreatic alpha amylase enzyme inhibition in vitro assay. The LC-MS/MS analysis of aqueous extract reported the presence of a total 9 phytochemical ingredients in the leaves of Cassia siamea Lam, while phytochemical qualitative analysis of leaves aqueous extract also noted the presence of secondary metabolites like carbohydrates, proteins, amino acids, flavonoids, tannins, glycosides, steroids and phenolic compounds. IC50 values obtained by alpha amylase inhibition activity for Cassia siamea Lamaqueous extract was found to be 30.38 ± 0.03 μg/mL and acarbose as a standard reference was found to be 27.62 ± 0.02 mg/mL. The extract showed promising alpha amylase inhibitionactivity against tested porcine pancreatic alpha amylase enzyme has varying degree of alpha amylase inhibitionactivity ranging from lower to higher dose dependent activity correlated by the presence of bioactive phytochemical ingredients. The results of investigation study suggest that Cassia siamea Lam medicinal plant leaves has promising alpha amylase inhibition activity and could serve as potential source of natural alpha amylase inhibitor as an alternative medicine to treat disorders of diabetes mellitus.
{"title":"LC-MS/MS investigation of phytochemical ingredients and alpha amylase inhibition activity of Cassia siamea Lam leaves aqueous extracts","authors":"Bhimraj Gawade","doi":"10.22271/reschem.2023.v4.i2b.98","DOIUrl":"https://doi.org/10.22271/reschem.2023.v4.i2b.98","url":null,"abstract":"The main objective of the present investigation study was to analyze the phytochemical ingredients and alpha amylase inhibition activity of aqueous extract of Cassia siamea Lam plant leaves. Phytochemical ingredients analysis was performed by using LC-MS/MS analysis spectral technique and qualitative analysis through the well-known standard tests protocol available in the literature. Also study was aimed to investigate alpha amylase inhibition activity of leaves aqueous extract of Cassia siamea Lam as well established bioactive phytochemical ingredients responsible for such activity by porcine pancreatic alpha amylase enzyme inhibition in vitro assay. The LC-MS/MS analysis of aqueous extract reported the presence of a total 9 phytochemical ingredients in the leaves of Cassia siamea Lam, while phytochemical qualitative analysis of leaves aqueous extract also noted the presence of secondary metabolites like carbohydrates, proteins, amino acids, flavonoids, tannins, glycosides, steroids and phenolic compounds. IC50 values obtained by alpha amylase inhibition activity for Cassia siamea Lamaqueous extract was found to be 30.38 ± 0.03 μg/mL and acarbose as a standard reference was found to be 27.62 ± 0.02 mg/mL. The extract showed promising alpha amylase inhibitionactivity against tested porcine pancreatic alpha amylase enzyme has varying degree of alpha amylase inhibitionactivity ranging from lower to higher dose dependent activity correlated by the presence of bioactive phytochemical ingredients. The results of investigation study suggest that Cassia siamea Lam medicinal plant leaves has promising alpha amylase inhibition activity and could serve as potential source of natural alpha amylase inhibitor as an alternative medicine to treat disorders of diabetes mellitus.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135806767","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 : 2023-07-01DOI: 10.22271/reschem.2023.v4.i2b.99
Dr. Anju Bhatnagar
Cymbopogon is one of the most important essential oil yielding genera of the family Poaceae. The most common economic species viz., Lemon grass (Cymbopogon flexuosus), wild lemon grass (Cymbopogon citrates), Citronella (Cymbopogon winterianus), palmarosa (Cymbopogon pendulus). It produces different types of essential oil, such as lemongrass oil, palmarosa oil, citronella oil, ginger grass or rusa oil. Lemon grass essential oil is mainly comprises cyclic and acyclic monoterpenoids. Citral is the major constituent which gives a characteristic lemon like aroma to lemongrass, having significant commercial value. Citral is used in vitamin A and ionone synthesis. Cymbopogon species possessed anthelmintic, anti-inflammatory, analgesic, pesticide, antimicrobial and mosquito repellant activities. In this paper we have thoroughly discussed the chemical constitutents and biological activities of lemongrass essential oil.
{"title":"Chemical constituents and biological activities of Cymbopogon flexuosus (Lemon Grass)","authors":"Dr. Anju Bhatnagar","doi":"10.22271/reschem.2023.v4.i2b.99","DOIUrl":"https://doi.org/10.22271/reschem.2023.v4.i2b.99","url":null,"abstract":"Cymbopogon is one of the most important essential oil yielding genera of the family Poaceae. The most common economic species viz., Lemon grass (Cymbopogon flexuosus), wild lemon grass (Cymbopogon citrates), Citronella (Cymbopogon winterianus), palmarosa (Cymbopogon pendulus). It produces different types of essential oil, such as lemongrass oil, palmarosa oil, citronella oil, ginger grass or rusa oil. Lemon grass essential oil is mainly comprises cyclic and acyclic monoterpenoids. Citral is the major constituent which gives a characteristic lemon like aroma to lemongrass, having significant commercial value. Citral is used in vitamin A and ionone synthesis. Cymbopogon species possessed anthelmintic, anti-inflammatory, analgesic, pesticide, antimicrobial and mosquito repellant activities. In this paper we have thoroughly discussed the chemical constitutents and biological activities of lemongrass essential oil.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135851816","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 : 2023-07-01DOI: 10.22271/reschem.2023.v4.i2a.90
Ajel Hassen, Rashed S Haalan, A. Waleed
{"title":"The effect of different structural compositions to improve the functional properties of fabrics producing eye pads by using zinc oxide nanoparticles","authors":"Ajel Hassen, Rashed S Haalan, A. Waleed","doi":"10.22271/reschem.2023.v4.i2a.90","DOIUrl":"https://doi.org/10.22271/reschem.2023.v4.i2a.90","url":null,"abstract":"","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89510327","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 : 2023-06-28DOI: 10.52711/0974-4150.2023.00037
Husnain Fathima, Mohammed Yakhoob, Mohamed Khaleel
A simple, sensitive, accurate, rapid and economical Spectrophotometric method was developed for estimation and validation of Abrocitinib in pure drug and tablet dosage form. The absorbance was measured at 303.0nm using Dimethylsulfoxideas solvent system. It obeyed Beer’s law at the concentration range of 2-14µg/ml with coefficient of correlation (r2) of 0.998. Limit of detection (LOD) was found to be 1.226µg/ml and Limit of quantitation (LOQ) was found to be 5.226µg/ml. The proposed analytical method was validated according to ICH guidelines, yielded good results concerning range, linearity, precision, accuracy, robustness and ruggedness.
{"title":"Estimation and Validation of Abrocitinib Dosage Form and in Bulk Drug by Spectrophotometric Method","authors":"Husnain Fathima, Mohammed Yakhoob, Mohamed Khaleel","doi":"10.52711/0974-4150.2023.00037","DOIUrl":"https://doi.org/10.52711/0974-4150.2023.00037","url":null,"abstract":"A simple, sensitive, accurate, rapid and economical Spectrophotometric method was developed for estimation and validation of Abrocitinib in pure drug and tablet dosage form. The absorbance was measured at 303.0nm using Dimethylsulfoxideas solvent system. It obeyed Beer’s law at the concentration range of 2-14µg/ml with coefficient of correlation (r2) of 0.998. Limit of detection (LOD) was found to be 1.226µg/ml and Limit of quantitation (LOQ) was found to be 5.226µg/ml. The proposed analytical method was validated according to ICH guidelines, yielded good results concerning range, linearity, precision, accuracy, robustness and ruggedness.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84807185","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 : 2023-06-28DOI: 10.52711/0974-4150.2023.00041
A. Singh, Navneet Kr. Vishnoi
The kinetic solvent effect on the rate of reaction for the acid catalysed hydrolysis of propyl methanoate has been studed in different compositions (30 to70%) of aqueous mixture of prpanol-2(v/v) over the different ranges of temperature(20 to 400 c). The reaction followed second order kimnetics. With addition of solvent the rate of reaction decreases progressively. The energy of activation (Ec) is calculated with the help of Arrhenius plots with reciprocal of absolute temperature. Linear relation has been observed for the plots of logk against different dielectric values of propanol-2. The effect of solvent on thermodynamic parameter has also been discussed and calculated with wynne Jones and Eyring equation. The nature of solvent-solute interaction has been explained by calculation Iso-kinetic temperature.
{"title":"Mechanism and solvent kinetics of acid catalysed Hydrolysis of Propyl Methanoate in Binary-Solvent system of water and Propanol-2","authors":"A. Singh, Navneet Kr. Vishnoi","doi":"10.52711/0974-4150.2023.00041","DOIUrl":"https://doi.org/10.52711/0974-4150.2023.00041","url":null,"abstract":"The kinetic solvent effect on the rate of reaction for the acid catalysed hydrolysis of propyl methanoate has been studed in different compositions (30 to70%) of aqueous mixture of prpanol-2(v/v) over the different ranges of temperature(20 to 400 c). The reaction followed second order kimnetics. With addition of solvent the rate of reaction decreases progressively. The energy of activation (Ec) is calculated with the help of Arrhenius plots with reciprocal of absolute temperature. Linear relation has been observed for the plots of logk against different dielectric values of propanol-2. The effect of solvent on thermodynamic parameter has also been discussed and calculated with wynne Jones and Eyring equation. The nature of solvent-solute interaction has been explained by calculation Iso-kinetic temperature.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84112195","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 : 2023-06-28DOI: 10.52711/0974-4150.2023.00036
Faycal Baira, Y. Benkrima, Mohammed Elbar Soudani, A. Souigat, Afif Benameur, Z. Korichi, Djamel Eddine Belfennache
The low-energy geometry and electronic structures of each of the nickel (Fen) and (Con) clusters were arrived at, where the number of n atoms that make up these groups ranges from 2 to 10 and this is based on the use of density functional theory (DFT) using generalized gradient approximation (GGA) taken from the method SIESTA. By searching for clusters with low-energy structures, new structures with low-energies were obtained. For each cluster size, the average bond length, binding energy, Vertical Ionization Potential (VIP) was calculated by this method. Low-energy structures of clusters are even for values n > 6 being linear in the plane, while stability showed that the clusters Fe10 and Co10 have the highest value of the binding energy. The VIP, show clear oscillations at odd and even values, indicating that Fe 2, 6,8,10 and Co 3,7,9 clusters have a higher stability compared to their neighboring clusters. In this research we have succeeded in studying some groups of iron and cobalt using DFT, and addressing their structural aspects in addition to their catalytic properties.
{"title":"Comparison between Iron and Cobalt Clusters in Terms of Chemical Catalysis","authors":"Faycal Baira, Y. Benkrima, Mohammed Elbar Soudani, A. Souigat, Afif Benameur, Z. Korichi, Djamel Eddine Belfennache","doi":"10.52711/0974-4150.2023.00036","DOIUrl":"https://doi.org/10.52711/0974-4150.2023.00036","url":null,"abstract":"The low-energy geometry and electronic structures of each of the nickel (Fen) and (Con) clusters were arrived at, where the number of n atoms that make up these groups ranges from 2 to 10 and this is based on the use of density functional theory (DFT) using generalized gradient approximation (GGA) taken from the method SIESTA. By searching for clusters with low-energy structures, new structures with low-energies were obtained. For each cluster size, the average bond length, binding energy, Vertical Ionization Potential (VIP) was calculated by this method. Low-energy structures of clusters are even for values n > 6 being linear in the plane, while stability showed that the clusters Fe10 and Co10 have the highest value of the binding energy. The VIP, show clear oscillations at odd and even values, indicating that Fe 2, 6,8,10 and Co 3,7,9 clusters have a higher stability compared to their neighboring clusters. In this research we have succeeded in studying some groups of iron and cobalt using DFT, and addressing their structural aspects in addition to their catalytic properties.","PeriodicalId":8550,"journal":{"name":"Asian Journal of Research in Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78603358","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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