In the present paper, factorial designs of experiments (DOE) were built in the aim of preparing new solid optimized controlled release microparticles charged with the herbicide 2,4-D and, also investigating the influence of some process and encapsulation variables. Composed from mixtures of ethylcellulose (EC) / hydroxy propyl methyl cellulose (HPMC), cellulose acetate butyrate butyryle (CAB) / HPMC and pure CAB as biodegradable polymeric matrices, the microparticles were prepared by emulsification-solvent evaporation technique. Then, the effect of some parameters such as the stirring speed of emulsification, initial drug concentration and polymer concentration were studied. Depending on the selected variables, a large range of microparticles’ size was obtained; from 25 to 208 µm of d 10 and the 2,4-D content reached 69%. Also, different release profiles accompanied with a burst effect were obtained. Finaly, by modelling using Minitab 16.1 software, the main and interactive effects of these variables on the microparticles’ chacteristics (size, drug entrapment and drug release) were evaluated.
{"title":"Preparation and Optimization of Agrochemical 2,4-D Controlled Release Microparticles using Designs of Experiments","authors":"Fatima Zohra Belmokhtar, Zineb Elbahri, Mohamed Elbahri","doi":"10.29356/JMCS.V62I1.579","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.579","url":null,"abstract":"In the present paper, factorial designs of experiments (DOE) were built in the aim of preparing new solid optimized controlled release microparticles charged with the herbicide 2,4-D and, also investigating the influence of some process and encapsulation variables. Composed from mixtures of ethylcellulose (EC) / hydroxy propyl methyl cellulose (HPMC), cellulose acetate butyrate butyryle (CAB) / HPMC and pure CAB as biodegradable polymeric matrices, the microparticles were prepared by emulsification-solvent evaporation technique. Then, the effect of some parameters such as the stirring speed of emulsification, initial drug concentration and polymer concentration were studied. Depending on the selected variables, a large range of microparticles’ size was obtained; from 25 to 208 µm of d 10 and the 2,4-D content reached 69%. Also, different release profiles accompanied with a burst effect were obtained. Finaly, by modelling using Minitab 16.1 software, the main and interactive effects of these variables on the microparticles’ chacteristics (size, drug entrapment and drug release) were evaluated.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78432943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Adeel, Samreen Gul Khan, Sania Shahid, M. Saeed, S. Kiran, Muhammad Suleman, N. Akhtar
The aim of current work is to evaluate the dyeing performance of newly introduced disperse dye to improve its dyeing behavior onto polyester fabric using microwave radiation. Microwave heating has promisingly improved the disperse dyeing of polyester fabrics. Disperse Yellow 211 (DY 211) has been used to dye the polyester fabric under the influence of microwave treatment. Both the fabric and dye solution, were treated with the microwaves for 1- 6 min. Different dyeing parameters such as temperature, time, dispersant and dye bath volume were also optimized and ISO standard methods for colorfastness were employed to rate the influence of microwave and ultraviolet treatment on disperse dyeing. It is found that microwave treated polyester (RP, 6 min), has given good color strength and darker shades upon dyeing at 90°C for 40 min. in the presence of 2 g/100ml of dispersant using 70 mL of irradiated dye solution (RS, 6 min) of pH 8. Similarly using dye bath of pH 11, microwave treated polyester (RP, 6 min.) has given good color strength and darker shades upon dyeing at 70°C for 35 min.in the presence of 1 g/100ml of dispersant. using 50 mL of irradiated dye solution (RS). ISO standards for fastness to light, washing and rubbing revealed that good to excellent ratings have been obtained from different shades dyed at optimal condition. It is inferred that Microwave treatment has not only reduced the dyeing conditions but also improved the color characteristics of dyed polyester fabric.
{"title":"Sustainable Dyeing of Microwave Treated Polyester Fabric using Disperse Yellow 211 Dye","authors":"S. Adeel, Samreen Gul Khan, Sania Shahid, M. Saeed, S. Kiran, Muhammad Suleman, N. Akhtar","doi":"10.29356/JMCS.V62I1.580","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.580","url":null,"abstract":"The aim of current work is to evaluate the dyeing performance of newly introduced disperse dye to improve its dyeing behavior onto polyester fabric using microwave radiation. Microwave heating has promisingly improved the disperse dyeing of polyester fabrics. Disperse Yellow 211 (DY 211) has been used to dye the polyester fabric under the influence of microwave treatment. Both the fabric and dye solution, were treated with the microwaves for 1- 6 min. Different dyeing parameters such as temperature, time, dispersant and dye bath volume were also optimized and ISO standard methods for colorfastness were employed to rate the influence of microwave and ultraviolet treatment on disperse dyeing. It is found that microwave treated polyester (RP, 6 min), has given good color strength and darker shades upon dyeing at 90°C for 40 min. in the presence of 2 g/100ml of dispersant using 70 mL of irradiated dye solution (RS, 6 min) of pH 8. Similarly using dye bath of pH 11, microwave treated polyester (RP, 6 min.) has given good color strength and darker shades upon dyeing at 70°C for 35 min.in the presence of 1 g/100ml of dispersant. using 50 mL of irradiated dye solution (RS). ISO standards for fastness to light, washing and rubbing revealed that good to excellent ratings have been obtained from different shades dyed at optimal condition. It is inferred that Microwave treatment has not only reduced the dyeing conditions but also improved the color characteristics of dyed polyester fabric.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82921615","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}
3-Alkylindoles have been prepared in 91~99% excellent yields by alkylation of indoles with epoxides or alcohols catalyzed by the recyclable heteropoly acid based supported functionalized ionic liquid H 2 PMo 12 O 40 -NMPIL@SiO 2 under heterogeneous catalysis atroom temperature. The influence of various reaction parameters including catalyst selection, catalyst amount, reaction time, solvent, and reaction temperature were studied. The heterogeneous supported catalyst was easily recoverable by filtration, and could be used for six consecutive runs without significant loss in catalytic activity. This study demonstrated a green and highly efficient chemistry technology in the preparation of 3-alkylindoles.
{"title":"Supported Ionic Liquid H2PMo12O40-NMPIL@SiO2 as an Efficient Catalyst for Alkylation of Indoles with Epoxides or Alcohols under Mild Conditions","authors":"Jin-Fay Tan, D. Fang, Y. Hu","doi":"10.29356/JMCS.V62I1.584","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.584","url":null,"abstract":"3-Alkylindoles have been prepared in 91~99% excellent yields by alkylation of indoles with epoxides or alcohols catalyzed by the recyclable heteropoly acid based supported functionalized ionic liquid H 2 PMo 12 O 40 -NMPIL@SiO 2 under heterogeneous catalysis atroom temperature. The influence of various reaction parameters including catalyst selection, catalyst amount, reaction time, solvent, and reaction temperature were studied. The heterogeneous supported catalyst was easily recoverable by filtration, and could be used for six consecutive runs without significant loss in catalytic activity. This study demonstrated a green and highly efficient chemistry technology in the preparation of 3-alkylindoles.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83402693","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}
Linda Bertel Garay, F. Ortega, S. C. Mendez-Sanchez
Folic acid (FA) is used as a recognition molecule to achieve selective internalization in cancer cells. Here functionalized gold nanoparticles with folic acid (AuNP-FA) are proposed as suitable therapeutic agents for cervix cancer cells by photothermal damage. The functionalized gold nanoparticles with folic acid were synthesized by mixing hydrogen tetrachloroaurate with folic acid in a molar ratio of 0.56/1 under radiation of mercury lamp (λmax=254 nm). HeLa cells were incubated with AuNP-FA during 48 h, then were irradiated and the cytotoxicity was analyzed 12 h after irradiation. The AuNP-FA were dose-dependent cytotoxic under irradiation and not cytotoxic in the absence of radiation. The viability of cancer cells treated with functionalized and non-functionalized gold nanoparticles (AuNPs), with and without near infrared light at 808 nm, was measured by MTT assays. This work provides useful guidance toward the synthesis of biocompatible nanomaterials for biological applications.
{"title":"Use in vitro of Gold Nanoparticles Functionalized with Folic Acid as a Photothermal Agent on Treatment of HeLa Cells","authors":"Linda Bertel Garay, F. Ortega, S. C. Mendez-Sanchez","doi":"10.29356/JMCS.V62I1.385","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.385","url":null,"abstract":"Folic acid (FA) is used as a recognition molecule to achieve selective internalization in cancer cells. Here functionalized gold nanoparticles with folic acid (AuNP-FA) are proposed as suitable therapeutic agents for cervix cancer cells by photothermal damage. The functionalized gold nanoparticles with folic acid were synthesized by mixing hydrogen tetrachloroaurate with folic acid in a molar ratio of 0.56/1 under radiation of mercury lamp (λmax=254 nm). HeLa cells were incubated with AuNP-FA during 48 h, then were irradiated and the cytotoxicity was analyzed 12 h after irradiation. The AuNP-FA were dose-dependent cytotoxic under irradiation and not cytotoxic in the absence of radiation. The viability of cancer cells treated with functionalized and non-functionalized gold nanoparticles (AuNPs), with and without near infrared light at 808 nm, was measured by MTT assays. This work provides useful guidance toward the synthesis of biocompatible nanomaterials for biological applications.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78870558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A green approach for the synthesis of polyfunctionalized pyrrolo[2,3-d]pyrimidine derivatives was successfully achieved by a one-pot, three-component reaction of arylglyoxals, 6-amino-1,3-dimethyluracil and barbituric acid derivatives in the presence of tetra-n-butylammonium bromide (TBAB) (5 mol%) as the catalyst in ethanol at 50 °C. This protocol has many advantages such as high yields (73-95%), green and simple procedure, short reaction times, easy work-up, mild reaction conditions and general applicability.
{"title":"One-pot, three-component synthesis of pyrrolo[2,3-d]pyrimidine derivatives","authors":"J. Khalafy, Ramin Javahershenas","doi":"10.29356/JMCS.V62I1.340","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.340","url":null,"abstract":"A green approach for the synthesis of polyfunctionalized pyrrolo[2,3-d]pyrimidine derivatives was successfully achieved by a one-pot, three-component reaction of arylglyoxals, 6-amino-1,3-dimethyluracil and barbituric acid derivatives in the presence of tetra-n-butylammonium bromide (TBAB) (5 mol%) as the catalyst in ethanol at 50 °C. This protocol has many advantages such as high yields (73-95%), green and simple procedure, short reaction times, easy work-up, mild reaction conditions and general applicability.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"55 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84715190","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 study, we report on for the first time the self-metathesis of the chicle gum and cross-metathesis of the chicle gum rubber isolated from the gummy latex of sapodilla (Manilkara zapota) with orange oil, β-pinene and, methyl methacrylate using the Ru-alkylidenes Hoveyda-Grubbs and Grubbs second generation catalysts. There were obtained terpene- and ester-terminated oligoisoprenes, with good yields and selectivities. The present results are a promising starting point for the application of this underexploited renewable resource as a new feedstock for metathesis transformations.
{"title":"Chicle Gum from sapodilla (Manilkara zapota) as a Renewable Resource for Metathesis Transformations","authors":"S. Reyes-Gómez, R. Montiel, M. Tlenkopatchev","doi":"10.29356/JMCS.V62I1.581","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.581","url":null,"abstract":"In this study, we report on for the first time the self-metathesis of the chicle gum and cross-metathesis of the chicle gum rubber isolated from the gummy latex of sapodilla (Manilkara zapota) with orange oil, β-pinene and, methyl methacrylate using the Ru-alkylidenes Hoveyda-Grubbs and Grubbs second generation catalysts. There were obtained terpene- and ester-terminated oligoisoprenes, with good yields and selectivities. The present results are a promising starting point for the application of this underexploited renewable resource as a new feedstock for metathesis transformations.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85788379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazone antioxidants was investigated by the application of Quantitative Structure Activity Relationship (QSAR). Density functional theory (DFT) was employed in the optimization of the molecular structures. Internal and external validation as well as y-randomization tests were conducted in order to confirm the statistical reliability and acceptability of the developed models. The leverage approach was employed in the assessment of the applicability domain of the developed model. While the relative contribution and strength of each descriptor in the model was obtained by estimating the variation inflation factor, mean effect, and degree of contribution of each descriptor in the developed model. Model 3 which gave the best validation results was chosen as the best of the five models. This model dictates that the most important descriptors that influence the free radical scavenging activities of the hydrazone antioxidants are the Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities; Count of atom-type H E-State: H on C bonded to saturated C; Number of hydrogen bond donors (using CDK H Bond Donor Count Descriptor algorithm); Structural information content index (neighborhood symmetry of 1-order) and the 3D topological distance based autocorrelation - lag 7 / weighted by I-state descriptors. The Structural information content index descriptor was observed to be the most influential of all the descriptors
{"title":"Free Radical Scavenging Activity Evaluation of Hydrazones by Quantitative Structure Activity Relationship","authors":"I. O. Alisi, A. Uzairu, S. Abechi, S. Idris","doi":"10.29356/JMCS.V62I1.585","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.585","url":null,"abstract":"The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazone antioxidants was investigated by the application of Quantitative Structure Activity Relationship (QSAR). Density functional theory (DFT) was employed in the optimization of the molecular structures. Internal and external validation as well as y-randomization tests were conducted in order to confirm the statistical reliability and acceptability of the developed models. The leverage approach was employed in the assessment of the applicability domain of the developed model. While the relative contribution and strength of each descriptor in the model was obtained by estimating the variation inflation factor, mean effect, and degree of contribution of each descriptor in the developed model. Model 3 which gave the best validation results was chosen as the best of the five models. This model dictates that the most important descriptors that influence the free radical scavenging activities of the hydrazone antioxidants are the Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities; Count of atom-type H E-State: H on C bonded to saturated C; Number of hydrogen bond donors (using CDK H Bond Donor Count Descriptor algorithm); Structural information content index (neighborhood symmetry of 1-order) and the 3D topological distance based autocorrelation - lag 7 / weighted by I-state descriptors. The Structural information content index descriptor was observed to be the most influential of all the descriptors","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"462 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82992922","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}
C. L. Almeida, J. A. M. Santos, C. S. Santos, Francirenildo Andrade Santos, Dmistocles A. Vicente, Andrea Liesen, J. Freitas
A highly diastereoselective protocol for the crotylation reaction of aldehydes using potassium (Z) and (E)-crotytrifluoroborates was developed. Benzamidoxime was employed as a renewable catalyst, which was easily recovered through a simple extraction process. This method proved to be simple, fast, regio- and chemoselective for different aldehydes. The corresponding homoallylic alcohols were obtained in good to excellent yields without the need of further purification.
{"title":"Benzamidoxime-Mediated Crotylation of Aldehydes using Potassium (Z) and (E)-Crotyltrifluoroborates","authors":"C. L. Almeida, J. A. M. Santos, C. S. Santos, Francirenildo Andrade Santos, Dmistocles A. Vicente, Andrea Liesen, J. Freitas","doi":"10.29356/JMCS.V62I1.577","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.577","url":null,"abstract":"A highly diastereoselective protocol for the crotylation reaction of aldehydes using potassium (Z) and (E)-crotytrifluoroborates was developed. Benzamidoxime was employed as a renewable catalyst, which was easily recovered through a simple extraction process. This method proved to be simple, fast, regio- and chemoselective for different aldehydes. The corresponding homoallylic alcohols were obtained in good to excellent yields without the need of further purification.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"71 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83723619","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}
Photocatalytic degradation of Oxytetracycline (OTC) in aqueous solution was performed using pure ZnO and ZnO/Bent composites. Both catalysts were synthesized trough a simple one-step chemical precipitation method. The prepared samples were characterized using SEM-EDAX and XRD analysis. Due to the immobilization of ZnO nanospheres upon bentonite surface, 25.67 m2 g-1 of specific surface area was obtained for the ZnO/Bent which lower than the specific surface area of the raw bentonite (112.25 m2 g-1). ZnO/Bent catalyst showed the best photocatalytic performance than ZnO for OTC degradation under UV light.
{"title":"Comparing Photocatalytic Activity of ZnO and Nanospherical ZnO/Bentonite Catalyst: Preparation, Structural Characterization and their Photocatalytic Performances using Oxytetracycline Antibiotic in Aqueous Solution","authors":"A. Vaizoğullar","doi":"10.29356/JMCS.V62I1.578","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.578","url":null,"abstract":"Photocatalytic degradation of Oxytetracycline (OTC) in aqueous solution was performed using pure ZnO and ZnO/Bent composites. Both catalysts were synthesized trough a simple one-step chemical precipitation method. The prepared samples were characterized using SEM-EDAX and XRD analysis. Due to the immobilization of ZnO nanospheres upon bentonite surface, 25.67 m2 g-1 of specific surface area was obtained for the ZnO/Bent which lower than the specific surface area of the raw bentonite (112.25 m2 g-1). ZnO/Bent catalyst showed the best photocatalytic performance than ZnO for OTC degradation under UV light.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78531944","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}
Enisa Selimović, S. Jeremic, Braho Z. Licina, T. Soldatović
The kinetics of ligand substitution reactions between zinc(II) and copper(II) terpyridine complexes and biologically relevant nucleophiles were investigated at pH 7.38 as a function of nucleophile concentration. Substitution reactions include two steps of consecutive displacement of the chlorido ligands. The order of reactivity of the investigated nucleophiles for the first reaction step is: glutathione (GSH) > > DL-aspartic acid (DL-Asp) > guanosine-5’-monophosphate (5’-GMP) > inosine-5’-monophosphate (5’-IMP) > L-methionine (L-Met) (for [CuCl2(terpy)]), while for [ZnCl2(terpy)] order is: DL-Asp > GSH > 5’-GMP > 5’-IMP > > L-Met. Chelate formation and pre-equilibrium were obtained for the substitution process between [ZnCl2(terpy)] complex and glutathione. Activation parameters support an associative mechanism A or Ia for the both reaction steps. The best antibacterial effect was exhibited against Sarcina lutea, and stronger antibacterial activity of [CuCl2(terpy)] complex than [ZnCl2(terpy)] was observed. In order to verify the structural geometries of investigated complexes in crystal and solute forms, their structures were optimized by DFT method. Based on energetic stability of complexes, it can be concluded that both of complexes make hydrates very easy, but the bond between water molecule and metal ion is pretty week.
{"title":"Kinetics, DFT Study and Antibacterial Activity of Zinc(II) and Copper(II) Terpyridine Complexes","authors":"Enisa Selimović, S. Jeremic, Braho Z. Licina, T. Soldatović","doi":"10.29356/JMCS.V62I1.576","DOIUrl":"https://doi.org/10.29356/JMCS.V62I1.576","url":null,"abstract":"The kinetics of ligand substitution reactions between zinc(II) and copper(II) terpyridine complexes and biologically relevant nucleophiles were investigated at pH 7.38 as a function of nucleophile concentration. Substitution reactions include two steps of consecutive displacement of the chlorido ligands. The order of reactivity of the investigated nucleophiles for the first reaction step is: glutathione (GSH) > > DL-aspartic acid (DL-Asp) > guanosine-5’-monophosphate (5’-GMP) > inosine-5’-monophosphate (5’-IMP) > L-methionine (L-Met) (for [CuCl2(terpy)]), while for [ZnCl2(terpy)] order is: DL-Asp > GSH > 5’-GMP > 5’-IMP > > L-Met. Chelate formation and pre-equilibrium were obtained for the substitution process between [ZnCl2(terpy)] complex and glutathione. Activation parameters support an associative mechanism A or Ia for the both reaction steps. The best antibacterial effect was exhibited against Sarcina lutea, and stronger antibacterial activity of [CuCl2(terpy)] complex than [ZnCl2(terpy)] was observed. In order to verify the structural geometries of investigated complexes in crystal and solute forms, their structures were optimized by DFT method. Based on energetic stability of complexes, it can be concluded that both of complexes make hydrates very easy, but the bond between water molecule and metal ion is pretty week.","PeriodicalId":21347,"journal":{"name":"Revista de la Sociedad Química de Mexico","volume":"67 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80302595","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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