Mohamad Shobeirinia, R. J. Yengejeh, E. Derikvand, Maryam Mohammadi Rouzbehani
The purpose of this study was the evaluation the Electro-Fenton (EF) and Photo Elecro-Fennton (PEF) efficiencies to remove of some pollution indicators from effluents of Acrylonitrile Butadiene Styrene (ABS) petrochemical industries affected by the operational parameters such as operation time, pH, current density, and concentration of H2O2. The EF and PEF reactors were made and a batch study was performed to optimize the operational parameters. The optimum operating conditions were determined as pH 5, reaction time 60 min, H2O2 concentration 50 mmol/lit and current density 20 mA/cm2 for EF process and pH 5, operation time 30 min, H2O2 concentration 25 mmol/lit, current density of 20 mA/cm2 for PEF process. The highest removal efficiencies of COD (chemical oxygen demand), turbidity, total kejaldahl nitrogen (TKN) and total suspended solids (TSS) by EF and PEF processes under optimal conditions were obtained 86.7, 88.1, 67.9 and 64.1% for EF and 92.4, 93.7, 70.5 and 67.2% for PEF process, respectively. The PEF process resulted in higher removal efficiencies than that of the EF process to remove COD and TKN especially. Also, the amount of energy consumption for EF and PEF were obtained 10.1 and 9.3 kW h/m3, respectively. The PEF process was more capable to remove the pollutants from wastewater, than the EF process in a shorter time and with a lower H2O2 concentration due to the presence of UV radiation, which causes the photocatalytic decomposition of organic pollutants.
{"title":"Comparison of Electro-Fenton and Photoelectro-Fenton for removal of Acrylonitrile Butadiene Styrene (ABS) from petrochemical wastewater","authors":"Mohamad Shobeirinia, R. J. Yengejeh, E. Derikvand, Maryam Mohammadi Rouzbehani","doi":"10.3233/mgc-230063","DOIUrl":"https://doi.org/10.3233/mgc-230063","url":null,"abstract":"The purpose of this study was the evaluation the Electro-Fenton (EF) and Photo Elecro-Fennton (PEF) efficiencies to remove of some pollution indicators from effluents of Acrylonitrile Butadiene Styrene (ABS) petrochemical industries affected by the operational parameters such as operation time, pH, current density, and concentration of H2O2. The EF and PEF reactors were made and a batch study was performed to optimize the operational parameters. The optimum operating conditions were determined as pH 5, reaction time 60 min, H2O2 concentration 50 mmol/lit and current density 20 mA/cm2 for EF process and pH 5, operation time 30 min, H2O2 concentration 25 mmol/lit, current density of 20 mA/cm2 for PEF process. The highest removal efficiencies of COD (chemical oxygen demand), turbidity, total kejaldahl nitrogen (TKN) and total suspended solids (TSS) by EF and PEF processes under optimal conditions were obtained 86.7, 88.1, 67.9 and 64.1% for EF and 92.4, 93.7, 70.5 and 67.2% for PEF process, respectively. The PEF process resulted in higher removal efficiencies than that of the EF process to remove COD and TKN especially. Also, the amount of energy consumption for EF and PEF were obtained 10.1 and 9.3 kW h/m3, respectively. The PEF process was more capable to remove the pollutants from wastewater, than the EF process in a shorter time and with a lower H2O2 concentration due to the presence of UV radiation, which causes the photocatalytic decomposition of organic pollutants.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"40 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83029597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The sillenite-structured bismuth titanate (Bi12TiO20) is thought to be a viable photocatalyst for environmental remediation. However, the performance of Bi12TiO20 as a photocatalyst is severely constrained by its limited range of light sensitivity and the rapid photoinduced electron-hole pair recombination. A practical and effective way to overcome these limitations is to combine Bi12TiO20 with adequate photocatalysts to create heterojunctions. Here, a one-step solvothermal technique is used to synthesize Bi12TiO20/Bi4Ti3O12 heterojunction (BTO). The electric field that exists between B12TiO20, Bi4Ti3O12 and the closed interfacial contacts had a synergistic effect on the constructed composites, which resulted in high charge transfer abilities. Therefore, the BTO heterojunction demonstrated increased photocatalytic efficacy in the presence of ultraviolet irradiation. The MO removal efficiency of optimal BTO was 97.15%, significantly higher than that of pure Bi2O3 (46.9%). Furthermore, the cycling experiment demonstrated that the BTO heterojunction is stable and reusable. The probable mechanism of photocatalytic MO oxidation over BTO heterojunction was studied by various scavengers. The •OH radicals and holes played essential roles in BTO system of photocatalytic oxidation process.
{"title":"Solvothermal synthesis of Bi12TiO20/Bi4Ti3O12 heterostructure with highly efficient photodegradation of MO under UV irradiation","authors":"Saad Aarich, M. Saidi, N. Chouaibi, K. Ziat","doi":"10.3233/mgc-230060","DOIUrl":"https://doi.org/10.3233/mgc-230060","url":null,"abstract":"The sillenite-structured bismuth titanate (Bi12TiO20) is thought to be a viable photocatalyst for environmental remediation. However, the performance of Bi12TiO20 as a photocatalyst is severely constrained by its limited range of light sensitivity and the rapid photoinduced electron-hole pair recombination. A practical and effective way to overcome these limitations is to combine Bi12TiO20 with adequate photocatalysts to create heterojunctions. Here, a one-step solvothermal technique is used to synthesize Bi12TiO20/Bi4Ti3O12 heterojunction (BTO). The electric field that exists between B12TiO20, Bi4Ti3O12 and the closed interfacial contacts had a synergistic effect on the constructed composites, which resulted in high charge transfer abilities. Therefore, the BTO heterojunction demonstrated increased photocatalytic efficacy in the presence of ultraviolet irradiation. The MO removal efficiency of optimal BTO was 97.15%, significantly higher than that of pure Bi2O3 (46.9%). Furthermore, the cycling experiment demonstrated that the BTO heterojunction is stable and reusable. The probable mechanism of photocatalytic MO oxidation over BTO heterojunction was studied by various scavengers. The •OH radicals and holes played essential roles in BTO system of photocatalytic oxidation process.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"8 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88908202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In consumer electronics, Organic LED (OLED) has become mainstream display technology. Using organic materials, opto-electronics devices have become extensively desirable for various reasons. One of the fundamental properties i.e., flexibility permits to fabricate electronic circuits on flexible substrates to make these devices bendable and stretchable. This paper provides a review on various terms of OLED like fabrication methods, operation of OLED, its categorization, few OTFT driven OLEDs, stability issues of white OLED and various applications of OLED based on sensors, display, and lighting. Different lighting devices like incandescent bulb, tube light, CFL, LED and OLED are compared on the basis of their efficiency and lifetime. The comparison highlights that the LED provides good lifetime, however, for OLED it depends on the organic semiconducting materials responsible for emission. Different layers such as charge injection layers, transport layers and blocking layer to refine the properties of organic LEDs are also studied and compared. Addition to this, a low-cost methodology is also incorporated for the fabrication of flexible devices.
{"title":"Architectural design, fabrication techniques, characteristics parameters and different applications for OLED along with some OTFT driven OLEDs: A review","authors":"Sugandha Yadav, P. Mittal, S. Negi","doi":"10.3233/mgc-220088","DOIUrl":"https://doi.org/10.3233/mgc-220088","url":null,"abstract":"In consumer electronics, Organic LED (OLED) has become mainstream display technology. Using organic materials, opto-electronics devices have become extensively desirable for various reasons. One of the fundamental properties i.e., flexibility permits to fabricate electronic circuits on flexible substrates to make these devices bendable and stretchable. This paper provides a review on various terms of OLED like fabrication methods, operation of OLED, its categorization, few OTFT driven OLEDs, stability issues of white OLED and various applications of OLED based on sensors, display, and lighting. Different lighting devices like incandescent bulb, tube light, CFL, LED and OLED are compared on the basis of their efficiency and lifetime. The comparison highlights that the LED provides good lifetime, however, for OLED it depends on the organic semiconducting materials responsible for emission. Different layers such as charge injection layers, transport layers and blocking layer to refine the properties of organic LEDs are also studied and compared. Addition to this, a low-cost methodology is also incorporated for the fabrication of flexible devices.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"39 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75101882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The tri-organotin(IV) complex of composition [n-Bu3Sn(C6H5OCH2CONHO)] has been synthesized by using Bu3SnCl and potassium phenoxyacetohydroxamate ligand (KPAH) in pre-determined molar ratio of methanol and tetrahydrofuran. These are characterized by spectral techniques like FTIR, 1 H NMR and mass spectrometry. Studies on electrochemical processes are carried out using cyclic voltammetry. The in vitro antibacterial and antifungal activities performed by using minimum inhibitory concentration (MIC) method has revealed complex as biologically active. Molecular docking of the ligand and complex has been performed against the fungal receptor (PDB ID: 1UKC) to study the interactions between compound and receptor.
{"title":"Tri-butyltin(IV)phenoxyacetohydroxamate: Synthesis, characterization, biological evaluation and molecular docking studies","authors":"Vandna Sharma, V. Choudhary","doi":"10.3233/mgc-230008","DOIUrl":"https://doi.org/10.3233/mgc-230008","url":null,"abstract":"The tri-organotin(IV) complex of composition [n-Bu3Sn(C6H5OCH2CONHO)] has been synthesized by using Bu3SnCl and potassium phenoxyacetohydroxamate ligand (KPAH) in pre-determined molar ratio of methanol and tetrahydrofuran. These are characterized by spectral techniques like FTIR, 1 H NMR and mass spectrometry. Studies on electrochemical processes are carried out using cyclic voltammetry. The in vitro antibacterial and antifungal activities performed by using minimum inhibitory concentration (MIC) method has revealed complex as biologically active. Molecular docking of the ligand and complex has been performed against the fungal receptor (PDB ID: 1UKC) to study the interactions between compound and receptor.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"28 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86846561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. Sakaya Sheela, B. Anna Benedict, B. Jebasingh, V. Manickam, J. Sumathi
In our current study, we demonstrate that lanthanum and yttrium ortho ferrites can be synthesized using a combustion process called self-propagating, high-temperature synthesis (SHS) using lanthanum(III) oxide and yttrium(III)oxide, chromium oxide, Iron metal, and potassium perchlorate as raw materials. Synthesized lanthanide and yttrium orthoferrites were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric differential scanning calorimetry techniques. The results show that the synthesized orthoferrites are of high quality with particle sizes less than 100 nm and showing less agglomeration. Synthesized lanthanum and yttrium orthoferrites exhibited electrical conductivities around 50 kHz for different temperatures ranging from 35 to 500°C. The rise in conductivity is found to be linear with an increase in temperature. Herein, our work paves way for low-cost, large-scale production of lanthanide orthoferrites without the need for reaction solvents, which greatly opens up the scope for combustion-based synthesis approaches.
{"title":"Synthesis, characterization, and applications of lanthanide ortho ferrites","authors":"L. Sakaya Sheela, B. Anna Benedict, B. Jebasingh, V. Manickam, J. Sumathi","doi":"10.3233/mgc-220072","DOIUrl":"https://doi.org/10.3233/mgc-220072","url":null,"abstract":"In our current study, we demonstrate that lanthanum and yttrium ortho ferrites can be synthesized using a combustion process called self-propagating, high-temperature synthesis (SHS) using lanthanum(III) oxide and yttrium(III)oxide, chromium oxide, Iron metal, and potassium perchlorate as raw materials. Synthesized lanthanide and yttrium orthoferrites were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric differential scanning calorimetry techniques. The results show that the synthesized orthoferrites are of high quality with particle sizes less than 100 nm and showing less agglomeration. Synthesized lanthanum and yttrium orthoferrites exhibited electrical conductivities around 50 kHz for different temperatures ranging from 35 to 500°C. The rise in conductivity is found to be linear with an increase in temperature. Herein, our work paves way for low-cost, large-scale production of lanthanide orthoferrites without the need for reaction solvents, which greatly opens up the scope for combustion-based synthesis approaches.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"272 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135525432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Commercial industries which employ metallurgical extraction, cement manufacturing and fuel cells expulse heavy volumes of fluoride-containing wastewater into the natural environment posing grave threats to public health. In the current study, a locally available plant known as Jamun (Eugenia Jambolana), was used as an adsorbent for fluoride removal from aqueous solutions. Physico-chemical experiments were conducted to reveal the size and surface distribution of natural fluoride adsorption on the adsorbent surface using SEM, XRD, and FT- IR. Effects of different parameters such as solution pH, adsorbent dosage (m), co-ions contact time (t), fluoride concentration, and flow rates were investigated. Additionally, the adsorption efficiency of competing ions like Cl-, NO-3, SO2-4, PO3-4, Ca2+, and Mg2+ and their physiological effects were studied under different solution concentrations ranging from 20 – 200 mg / L at pH 6.90±0.10 for 1 hour. Results showed that the adsorption equilibrium and kinetic data were matched with the isotherm Langmuir model (R2 = 0.98) and Freundlich model (R2 = 0.97). Also, we could conclude that the adsorption process of fluoride using the natural adsorbent resu bivalve shells was an endothermic reaction and resulted in a spontaneous adsorption process. Adsorption kinetic models revealed a swift adsorption rate with minimum and maximum fluoride concentrations as 100 mg / L and 500 mg / L with contact time (t) = 60 minutes at adsorbent dosage (m) = 1 g / L.
{"title":"Efficient fluoride removal from aqueous solution by sorption using natural adsorbent - eugenia jambolana: Equilibrium isotherm analysis and influence of anions","authors":"J. Sumathi, B. Benedict, B. Jebasingh, L. Sheela","doi":"10.3233/mgc-220074","DOIUrl":"https://doi.org/10.3233/mgc-220074","url":null,"abstract":"Commercial industries which employ metallurgical extraction, cement manufacturing and fuel cells expulse heavy volumes of fluoride-containing wastewater into the natural environment posing grave threats to public health. In the current study, a locally available plant known as Jamun (Eugenia Jambolana), was used as an adsorbent for fluoride removal from aqueous solutions. Physico-chemical experiments were conducted to reveal the size and surface distribution of natural fluoride adsorption on the adsorbent surface using SEM, XRD, and FT- IR. Effects of different parameters such as solution pH, adsorbent dosage (m), co-ions contact time (t), fluoride concentration, and flow rates were investigated. Additionally, the adsorption efficiency of competing ions like Cl-, NO-3, SO2-4, PO3-4, Ca2+, and Mg2+ and their physiological effects were studied under different solution concentrations ranging from 20 – 200 mg / L at pH 6.90±0.10 for 1 hour. Results showed that the adsorption equilibrium and kinetic data were matched with the isotherm Langmuir model (R2 = 0.98) and Freundlich model (R2 = 0.97). Also, we could conclude that the adsorption process of fluoride using the natural adsorbent resu bivalve shells was an endothermic reaction and resulted in a spontaneous adsorption process. Adsorption kinetic models revealed a swift adsorption rate with minimum and maximum fluoride concentrations as 100 mg / L and 500 mg / L with contact time (t) = 60 minutes at adsorbent dosage (m) = 1 g / L.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"34 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88497505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Natural or synthetic substances can be used to create smart medications, which can enhance cognitive performance in healthy individuals. They are frequently used to boost memory, concentration, creativity, intelligence, and motivation in the fiercely competitive world of today.To achieve optimum results, the drug should be applied to the target site at the appropriate concentration, with as few or no adverse effects as possible due to off-target actions. Recent studies have shown that such drugs, which are often used in chemotherapy, can reduce the level of discomfort cancer patients endure. In this study, metal complexes that can carry silver nanoparticles with electrical and optical properties were formed. This article examines the potential of man-made silver N-heterocyclic complexes as smart drugs. Following the synthesis of new carbene species from the Xthantine compound, metal complexes were produced for this use. The chemical structures of these carbenes and metal complexes were investigated using a variety of methods, including melting point studies, conductivity, 1H-NMR and 13C-NMR, LC-Mass, FT-IR, TGA, and UV-vis spectrophotometry. These metal complexes differ mostly due to their solubility in water. Using the disk diffusion method, the antimicrobial and antibacterial properties of silver(I)-NHC complexes were examined against Gram-positive and Gram-negative bacteria as well as fungi. It has been observed that the antimicrobial activity of 7,9-bis(2-cyanoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-9-ium silver(I)bromide compound is high. These data suggest that this compound has strong antibacterial properties.
{"title":"Synthesis methods, characterizations and usage areas of medicinal compounds from THP, and their Ag(I)-NHC complexes, and their antimicrobial efficiencies","authors":"Murat Turkyilmaz, Murat Donmez","doi":"10.3233/mgc-220121","DOIUrl":"https://doi.org/10.3233/mgc-220121","url":null,"abstract":"Natural or synthetic substances can be used to create smart medications, which can enhance cognitive performance in healthy individuals. They are frequently used to boost memory, concentration, creativity, intelligence, and motivation in the fiercely competitive world of today.To achieve optimum results, the drug should be applied to the target site at the appropriate concentration, with as few or no adverse effects as possible due to off-target actions. Recent studies have shown that such drugs, which are often used in chemotherapy, can reduce the level of discomfort cancer patients endure. In this study, metal complexes that can carry silver nanoparticles with electrical and optical properties were formed. This article examines the potential of man-made silver N-heterocyclic complexes as smart drugs. Following the synthesis of new carbene species from the Xthantine compound, metal complexes were produced for this use. The chemical structures of these carbenes and metal complexes were investigated using a variety of methods, including melting point studies, conductivity, 1H-NMR and 13C-NMR, LC-Mass, FT-IR, TGA, and UV-vis spectrophotometry. These metal complexes differ mostly due to their solubility in water. Using the disk diffusion method, the antimicrobial and antibacterial properties of silver(I)-NHC complexes were examined against Gram-positive and Gram-negative bacteria as well as fungi. It has been observed that the antimicrobial activity of 7,9-bis(2-cyanoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-9-ium silver(I)bromide compound is high. These data suggest that this compound has strong antibacterial properties.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"17 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80300801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
An in-situ thermal behavior study was conducted on the metallic tantalum under two conditions. The experimentation was carried out on tantalum pellets which were heated progressively “underwent reaction and under continuous pumping or under controlled monoxide pressure” in a graphite resistance high temperature X-ray diffractometer up to 2300 K. Through the in-situ study, a thermodynamic analysis showed that this involved the formation of Ta2O, Ta2O5 (low temperature modification) and Ta2C likely to be formed between 293 and 2300 K, in agreement with a reaction mechanism that we established to occur in four stages.
{"title":"In situ high-temperature X-Ray diffraction study of tantalum metal","authors":"F. SI-Ahmed, A. Afir, A. Pialoux, Houria Chikh","doi":"10.3233/mgc-220105","DOIUrl":"https://doi.org/10.3233/mgc-220105","url":null,"abstract":"An in-situ thermal behavior study was conducted on the metallic tantalum under two conditions. The experimentation was carried out on tantalum pellets which were heated progressively “underwent reaction and under continuous pumping or under controlled monoxide pressure” in a graphite resistance high temperature X-ray diffractometer up to 2300 K. Through the in-situ study, a thermodynamic analysis showed that this involved the formation of Ta2O, Ta2O5 (low temperature modification) and Ta2C likely to be formed between 293 and 2300 K, in agreement with a reaction mechanism that we established to occur in four stages.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"1 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91328000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sachin Bhardwaj, V. Choudhary, Mamta Pundeer, N. Sharma
New di-and tri- n-butyl tin(IV) hydroxamate complexes of composition [n-Bu2Sn(C6H3(3-NH2)(4-Cl)CONHO)2](I) and [n-Bu3Sn(C6H3(3-NH2)(4-Cl)CONHO)] (II) have been synthesized by the reactions of n-Bu2SnCl2 and n-Bu3SnCl with potassium 3-amino-4-chlorido benzohydroxamate(KHL) in predetermined metal:ligand 1:2 and 1:1 molar ratios respectively in MeOH+THF solvent medium and characterized by physiochemical, spectroscopic (IR,1 H and 13 C NMR) studies and mass spectrometry. The bidentate nature of hydroxamate ligand involving bonding through carbonyl and hydroxamic oxygen atoms (O,O coordination) has been inferred from IR spectra. The distorted octahedral and trigonal bipyramidal geometry around tin for (I) and (II) respectively have tentatively been proposed. The electrochemical behavior of complexes studied by cyclic voltammetric technique has shown two electron tin metal centered reductions. The in vitro antibacterial activity of (I) and (II) assayed against pathogenic gram -ve bacteria E.coli , P.aeruginosa; gram +ve bacteria S.aureus, B.cereus by MIC method has revealed these to be promising antibacterial agents relative to parent ligand.
{"title":"Synthesis, characterization and in vitro antibacterial activity of di- and tri n-butyltin(IV) complexes of 3-amino-4 -chloridobenzohydroxamic acid","authors":"Sachin Bhardwaj, V. Choudhary, Mamta Pundeer, N. Sharma","doi":"10.3233/mgc-220066","DOIUrl":"https://doi.org/10.3233/mgc-220066","url":null,"abstract":" New di-and tri- n-butyl tin(IV) hydroxamate complexes of composition [n-Bu2Sn(C6H3(3-NH2)(4-Cl)CONHO)2](I) and [n-Bu3Sn(C6H3(3-NH2)(4-Cl)CONHO)] (II) have been synthesized by the reactions of n-Bu2SnCl2 and n-Bu3SnCl with potassium 3-amino-4-chlorido benzohydroxamate(KHL) in predetermined metal:ligand 1:2 and 1:1 molar ratios respectively in MeOH+THF solvent medium and characterized by physiochemical, spectroscopic (IR,1 H and 13 C NMR) studies and mass spectrometry. The bidentate nature of hydroxamate ligand involving bonding through carbonyl and hydroxamic oxygen atoms (O,O coordination) has been inferred from IR spectra. The distorted octahedral and trigonal bipyramidal geometry around tin for (I) and (II) respectively have tentatively been proposed. The electrochemical behavior of complexes studied by cyclic voltammetric technique has shown two electron tin metal centered reductions. The in vitro antibacterial activity of (I) and (II) assayed against pathogenic gram -ve bacteria E.coli , P.aeruginosa; gram +ve bacteria S.aureus, B.cereus by MIC method has revealed these to be promising antibacterial agents relative to parent ligand.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"68 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82552757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nedjla Khelfa, S. Belaidi, Enfel Zerroug, F. Soualmia, Samir CHTITA
Quantitative structure-activity relationship study was used to investigate the relationship between anti-PfDHFR activity and structure of twenty-eight 1,3,5-triazine derivatives. We performed benchmark studies on the molecular geometry, electron properties of 1,3,5-triazine using semi-empirical(PM3), density functional theory and post Hartree-Fock methods. Followed by a QSAR study using multiple linear regression (MLR) and artificial neural networks (ANN). The QSAR models developed allow identify/describe the relationship between the biological activity of the molecules and their molecular descriptors (topological, physicochemical, electronic...). A further external set of compounds was used for validation where a high correlation between experimental and predicted anti-PfDHFR activity values is noticed. This QSAR study provides useful information for developing novel PfDHFR inhibitors. The set’s ADME properties and drug similarities, as well as newly produced compounds and reference ligand, were investigated. These findings would be extremely useful in guiding optimization for the development of new anti-PfDHFR drug candidates.
{"title":"In silico-based identification of new anti-PfDHFR drug candidates via 1,3,5-triazine derivatives","authors":"Nedjla Khelfa, S. Belaidi, Enfel Zerroug, F. Soualmia, Samir CHTITA","doi":"10.3233/mgc-220111","DOIUrl":"https://doi.org/10.3233/mgc-220111","url":null,"abstract":"Quantitative structure-activity relationship study was used to investigate the relationship between anti-PfDHFR activity and structure of twenty-eight 1,3,5-triazine derivatives. We performed benchmark studies on the molecular geometry, electron properties of 1,3,5-triazine using semi-empirical(PM3), density functional theory and post Hartree-Fock methods. Followed by a QSAR study using multiple linear regression (MLR) and artificial neural networks (ANN). The QSAR models developed allow identify/describe the relationship between the biological activity of the molecules and their molecular descriptors (topological, physicochemical, electronic...). A further external set of compounds was used for validation where a high correlation between experimental and predicted anti-PfDHFR activity values is noticed. This QSAR study provides useful information for developing novel PfDHFR inhibitors. The set’s ADME properties and drug similarities, as well as newly produced compounds and reference ligand, were investigated. These findings would be extremely useful in guiding optimization for the development of new anti-PfDHFR drug candidates.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":"16 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89709914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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