Pub Date : 2023-06-30DOI: 10.5155/eurjchem.14.2.297-302.2405
Niteen Borane, A. Deshmukh, Nidhi Harnesh Oza, Rajamouli Boddula, P. Patel
Chalcones are versatile scaffolds for the synthesis of various heterocyclic systems with commercial utility. This work describes the synthesis of five novel chalcone derivatives. Syntheses were performed by a simple one-pot, straightforward Claisen-Schmidt condensation catalyzed with pyrrolidine and KOH. The chalcones were prepared by condensation of 4-formylbenzonitrile with different aromatic ketones at room temperature. The structures of all compounds have been investigated by FT-IR, NMR, and HR-MS spectroscopy. In addition, one chalcone structure was characterized by single-crystal XRD study. Crystal data for C21H15NO2 (Ch2): monoclinic, space group P21/c (no. 14), a = 6.5694(3) Å, b = 33.2697(15) Å, c = 7.4516(4) Å, β = 97.563(2)°, V = 1614.47(14) Å3, Z = 4, T = 293(2) K, μ(MoKα) = 0.083 mm-1, Dcalc = 1.289 g/cm3, 16000 reflections measured (4.898° ≤ 2Θ ≤ 49.99°), 2822 unique (Rint = 0.0249, Rsigma = 0.0196) which were used in all calculations. The final R1 was 0.0484 (I > 2σ(I)) and wR2 was 0.1257 (all data). The absorption maxima of all novel products were evaluated by UV-visible spectroscopy. These well-established structures of all newly prepared chalcone scaffolds with reactive functional groups (i.e. nitrile and 2-propenone) can be exploited as a crucial intermediate in the synthesis of new heterocyclic scaffolds with fluorescence and other applications.
{"title":"Newer chalcone scaffolds with reactive functional groups: Process, spectral and single crystal XRD studies","authors":"Niteen Borane, A. Deshmukh, Nidhi Harnesh Oza, Rajamouli Boddula, P. Patel","doi":"10.5155/eurjchem.14.2.297-302.2405","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.297-302.2405","url":null,"abstract":"Chalcones are versatile scaffolds for the synthesis of various heterocyclic systems with commercial utility. This work describes the synthesis of five novel chalcone derivatives. Syntheses were performed by a simple one-pot, straightforward Claisen-Schmidt condensation catalyzed with pyrrolidine and KOH. The chalcones were prepared by condensation of 4-formylbenzonitrile with different aromatic ketones at room temperature. The structures of all compounds have been investigated by FT-IR, NMR, and HR-MS spectroscopy. In addition, one chalcone structure was characterized by single-crystal XRD study. Crystal data for C21H15NO2 (Ch2): monoclinic, space group P21/c (no. 14), a = 6.5694(3) Å, b = 33.2697(15) Å, c = 7.4516(4) Å, β = 97.563(2)°, V = 1614.47(14) Å3, Z = 4, T = 293(2) K, μ(MoKα) = 0.083 mm-1, Dcalc = 1.289 g/cm3, 16000 reflections measured (4.898° ≤ 2Θ ≤ 49.99°), 2822 unique (Rint = 0.0249, Rsigma = 0.0196) which were used in all calculations. The final R1 was 0.0484 (I > 2σ(I)) and wR2 was 0.1257 (all data). The absorption maxima of all novel products were evaluated by UV-visible spectroscopy. These well-established structures of all newly prepared chalcone scaffolds with reactive functional groups (i.e. nitrile and 2-propenone) can be exploited as a crucial intermediate in the synthesis of new heterocyclic scaffolds with fluorescence and other applications.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42809966","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.264-272.2380
P. Patel, S. Tandel, A. Deshmukh, Preksha Basant Patel
Hydrazine and its derivatives, as harmful substances, seriously risk the health of humans and the environment. On the basis of the admirable luminescent properties and low biological harmfulness of the biphenyl moiety, a biphenyl moiety can be combined with a naphthalene ring via the chalcone scaffold easily traced by a nucleophilic group. Therefore, biphenyl chalcones (BPCs) decorated with various naphthalene systems as fluorescent sensors for hydrazine are synthesised by Claisen-Schmidt condensation. The present work describes the comparative studies of two different protocols for the synthesis of three different BPCs. The structures of all novel BPCs were investigated by FT-IR, NMR, and HRMS spectroscopy. These BPCs show a red shift with a fluorescent peak and an enhancement in intensity with increasing solvent polarity from hexane to methanol. Methanol shows strong fluorescence emission; therefore, methanol is used as the solvent in hydrazine sensing experiments. The BPCs display fluorescent variation from yellow to blue fluorescence after binding with hydrazine. These BPCs sensors are able to identify hydrazine in a fast response rate and 5 min response time. The screening study of hydrazine in various soil samples by prepared BPCs is highly efficient. A study of the pH dependence of these probes shows excellent sensitivity in the pH range of 5 to 10.
{"title":"Study on novel biphenyl chalcone scaffolds: A dual spectroscopic approach for efficient sensing of hydrazine with low concentration","authors":"P. Patel, S. Tandel, A. Deshmukh, Preksha Basant Patel","doi":"10.5155/eurjchem.14.2.264-272.2380","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.264-272.2380","url":null,"abstract":"Hydrazine and its derivatives, as harmful substances, seriously risk the health of humans and the environment. On the basis of the admirable luminescent properties and low biological harmfulness of the biphenyl moiety, a biphenyl moiety can be combined with a naphthalene ring via the chalcone scaffold easily traced by a nucleophilic group. Therefore, biphenyl chalcones (BPCs) decorated with various naphthalene systems as fluorescent sensors for hydrazine are synthesised by Claisen-Schmidt condensation. The present work describes the comparative studies of two different protocols for the synthesis of three different BPCs. The structures of all novel BPCs were investigated by FT-IR, NMR, and HRMS spectroscopy. These BPCs show a red shift with a fluorescent peak and an enhancement in intensity with increasing solvent polarity from hexane to methanol. Methanol shows strong fluorescence emission; therefore, methanol is used as the solvent in hydrazine sensing experiments. The BPCs display fluorescent variation from yellow to blue fluorescence after binding with hydrazine. These BPCs sensors are able to identify hydrazine in a fast response rate and 5 min response time. The screening study of hydrazine in various soil samples by prepared BPCs is highly efficient. A study of the pH dependence of these probes shows excellent sensitivity in the pH range of 5 to 10.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44770872","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.184-192.2392
Jin Kwei Koh, C. Lai, M. Johan, Sin Seng Gan, W. W. Chua
Polyacrylamide (PAM) is a biodegradable polymer with good lubricity in friction reduction. However, there is insufficient guidance on the dosage of PAM and poor rheological information on the effects of temperature and pH. This study aimed to investigate the characterization of the material and rheological analysis regarding the effects of concentration, pH, and temperature of PAM. In material characterization, PAM has been shown to offer hydrophilic surfaces. In a rheological study, 1000 ppm PAM was the critical association concentration, as the rheological properties below 1000 ppm PAM were superior. This was due to the dispersion stability effect caused by the polymer concentration. Additionally, a low concentration of polymer contributes to bridging flocculation with an unstable rheological profile and low association networking. When the polymer concentration is further increased to the saturated adsorption level, the rheological profile of PAM above 1000 ppm is significantly affected as a result of the alternation from steric stabilization to depletion flocculation in a polymer system. Furthermore, the rheological performance of PAM was significantly affected by temperature and pH, showing better performance after heating to 60 °C and at pH = 10. Future studies can further develop modified PAM with specific additives at an optimized temperature and pH to investigate the rheological performance of drilling.
{"title":"Influence of temperature and pH on polyacrylamide-based drilling fluid: Characterization and rheological study","authors":"Jin Kwei Koh, C. Lai, M. Johan, Sin Seng Gan, W. W. Chua","doi":"10.5155/eurjchem.14.2.184-192.2392","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.184-192.2392","url":null,"abstract":"Polyacrylamide (PAM) is a biodegradable polymer with good lubricity in friction reduction. However, there is insufficient guidance on the dosage of PAM and poor rheological information on the effects of temperature and pH. This study aimed to investigate the characterization of the material and rheological analysis regarding the effects of concentration, pH, and temperature of PAM. In material characterization, PAM has been shown to offer hydrophilic surfaces. In a rheological study, 1000 ppm PAM was the critical association concentration, as the rheological properties below 1000 ppm PAM were superior. This was due to the dispersion stability effect caused by the polymer concentration. Additionally, a low concentration of polymer contributes to bridging flocculation with an unstable rheological profile and low association networking. When the polymer concentration is further increased to the saturated adsorption level, the rheological profile of PAM above 1000 ppm is significantly affected as a result of the alternation from steric stabilization to depletion flocculation in a polymer system. Furthermore, the rheological performance of PAM was significantly affected by temperature and pH, showing better performance after heating to 60 °C and at pH = 10. Future studies can further develop modified PAM with specific additives at an optimized temperature and pH to investigate the rheological performance of drilling.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43453328","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.254-263.2404
M. Ebrahimzadeh, Amin Barani, Amir Hossein Habibian, H. Goli, S. R. Alizadeh
This study explained a green synthesis of silver nanoparticles (AgNPs) using Nepeta pogonosperma extract and evaluated their antibacterial activity. Optimization of the temperature, concentration, pH, and reaction time was established to produce silver nanoparticles. The best condition was 10 mM AgNO3, pH = 14, temperature 85 °C, and reaction time 24 hours. The formation of silver nanoparticles was confirmed by colour-changing, UV-vis, FE-SEM, EDX, XRD, FT-IR, and DLS analysis. The prepared AgNPs had a spherical shape with an average size of 51.21±0.02 nm. In addition, our biofabricated nanoparticles displayed potential antibacterial activity against the tested strains. The MIC value of 1.17 µg/mL was determined against strains of Pseudomonas aeruginosa, Acinetobacter baumannii, and Escherichia coli and 2.34 µg/mL against Staphylococcus aureus, Klebsiella pneumoniae, Proteus mirabilis and Enterococcus faecalis. Furthermore, AgNPs exhibited excellent antifungal effects against Candida albicans strains (0.073 μg/mL). In general, N. pogonosperma played an important role in reducing Ag(+1) to Ag(0) and the production of Ag(0) with suitable surface features in combination with efficient biological activities.
{"title":"Overcoming multidrug-resistant bacteria and fungi by green synthesis of AgNPs using Nepeta pogonosperma extract, optimization, characterization and evaluation of antibacterial and antifungal effects","authors":"M. Ebrahimzadeh, Amin Barani, Amir Hossein Habibian, H. Goli, S. R. Alizadeh","doi":"10.5155/eurjchem.14.2.254-263.2404","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.254-263.2404","url":null,"abstract":"This study explained a green synthesis of silver nanoparticles (AgNPs) using Nepeta pogonosperma extract and evaluated their antibacterial activity. Optimization of the temperature, concentration, pH, and reaction time was established to produce silver nanoparticles. The best condition was 10 mM AgNO3, pH = 14, temperature 85 °C, and reaction time 24 hours. The formation of silver nanoparticles was confirmed by colour-changing, UV-vis, FE-SEM, EDX, XRD, FT-IR, and DLS analysis. The prepared AgNPs had a spherical shape with an average size of 51.21±0.02 nm. In addition, our biofabricated nanoparticles displayed potential antibacterial activity against the tested strains. The MIC value of 1.17 µg/mL was determined against strains of Pseudomonas aeruginosa, Acinetobacter baumannii, and Escherichia coli and 2.34 µg/mL against Staphylococcus aureus, Klebsiella pneumoniae, Proteus mirabilis and Enterococcus faecalis. Furthermore, AgNPs exhibited excellent antifungal effects against Candida albicans strains (0.073 μg/mL). In general, N. pogonosperma played an important role in reducing Ag(+1) to Ag(0) and the production of Ag(0) with suitable surface features in combination with efficient biological activities.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45720271","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.303-310.2423
F. Ondrasik, Š. Kročová
Current water management does not fully account for potential crisis situations when dealing with drinking water. It is important to focus on an efficient and at the same time economic approach to water management, including consideration of the ecological aspect. One way is to focus on the use of alternative sources of water. The possibilities of purified wastewater or captured rainwater indicate a certain direction. Current technical possibilities and scientific knowledge offer many opportunities. The priority is to find and increase the way to limit the use of drinking water for economic activities. The more intensive use of alternative water sources is still in the background and neglected. This article provides information on this issue and encourages deeper ecological and economic reflexion.
{"title":"Analysis of the usability of treated wastewater for fire protection purposes","authors":"F. Ondrasik, Š. Kročová","doi":"10.5155/eurjchem.14.2.303-310.2423","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.303-310.2423","url":null,"abstract":"Current water management does not fully account for potential crisis situations when dealing with drinking water. It is important to focus on an efficient and at the same time economic approach to water management, including consideration of the ecological aspect. One way is to focus on the use of alternative sources of water. The possibilities of purified wastewater or captured rainwater indicate a certain direction. Current technical possibilities and scientific knowledge offer many opportunities. The priority is to find and increase the way to limit the use of drinking water for economic activities. The more intensive use of alternative water sources is still in the background and neglected. This article provides information on this issue and encourages deeper ecological and economic reflexion.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49150409","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.287-296.2389
F. Odame, Tatenda Madanhire, J. Harrison, N. Boadi, E. Hosten
Some 2H-chromen-2-one and imine derivatives have been synthesized through a one-pot condensation of aldehydes, diethyl malonate, and amine compounds. The compounds obtained have been characterized using FTIR, NMR, GC-MS, and elemental analysis. The single-crystal X-ray structure of 3-[piperidine-1-carbonyl]-2H-chromen-2-one (2) has been presented. Compound 2, recrystallized in the monoclinic space C2/c (no. 15), a = 16.654(15) Å, b = 8.789(7) Å, c = 18.460(18) Å, β = 102.89(5)°, V = 2634(4) Å3, Z = 8, T = 296(2) K, μ(MoKα) = 0.091 mm-1, Dcalc = 1.298 g/cm3, 17626 reflections measured (4.528° ≤ 2Θ ≤ 57.446°), 3321 unique (Rint = 0.0313, Rsigma = 0.0257) which were used in all calculations. The final R1 was 0.0441 (I > 2σ(I)) and wR2 was 0.1329 (all data). The experimental bond lengths, bond angles, and other topological properties of compound 2 were compared with the DFT calculated results, the comparison showed good agreement with each other with varying level deviations. The energy levels of HOMO and LUMO, as well as the global chemical reactivity descriptors of representative compound 2, have been presented. A discussion of the Hirshfeld surface analysis of compound 2 has been carried out to provide insight into its structural properties.
{"title":"Synthesis, computational studies, and Hirshfeld surface analysis of 2H-chromen-2-one and imine derivatives","authors":"F. Odame, Tatenda Madanhire, J. Harrison, N. Boadi, E. Hosten","doi":"10.5155/eurjchem.14.2.287-296.2389","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.287-296.2389","url":null,"abstract":"Some 2H-chromen-2-one and imine derivatives have been synthesized through a one-pot condensation of aldehydes, diethyl malonate, and amine compounds. The compounds obtained have been characterized using FTIR, NMR, GC-MS, and elemental analysis. The single-crystal X-ray structure of 3-[piperidine-1-carbonyl]-2H-chromen-2-one (2) has been presented. Compound 2, recrystallized in the monoclinic space C2/c (no. 15), a = 16.654(15) Å, b = 8.789(7) Å, c = 18.460(18) Å, β = 102.89(5)°, V = 2634(4) Å3, Z = 8, T = 296(2) K, μ(MoKα) = 0.091 mm-1, Dcalc = 1.298 g/cm3, 17626 reflections measured (4.528° ≤ 2Θ ≤ 57.446°), 3321 unique (Rint = 0.0313, Rsigma = 0.0257) which were used in all calculations. The final R1 was 0.0441 (I > 2σ(I)) and wR2 was 0.1329 (all data). The experimental bond lengths, bond angles, and other topological properties of compound 2 were compared with the DFT calculated results, the comparison showed good agreement with each other with varying level deviations. The energy levels of HOMO and LUMO, as well as the global chemical reactivity descriptors of representative compound 2, have been presented. A discussion of the Hirshfeld surface analysis of compound 2 has been carried out to provide insight into its structural properties.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48981363","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.211-222.2416
Kirti Nagarkoti, O. Prakash, A. Rawat, Tanuja Kabdal, Ravendra Kumar, R. Srivastava, Satya Kumar, D. Rawat
The objective of the present study was to examine the chemical compositions of Salvia coccinea oleoresins prepared in methanol and petroleum ether. GC-MS analysis of Salvia coccinea methanolic oleoresin (SCMO) and Salvia coccinea ether oleoresin (SCEO) resulted in the identification of 15 and 12 constituents, comprising 84.7 and 81.2% of the total composition, respectively. Both SCMO and SCEO varied in their chemical composition in terms of quantity, namely, oleic acid (22.3-25.9%), palmitic acid (8.9-8.4%), stigmasta-3,5-dien-7-one (3.4-11.8%), stigmasterol acetate (3.5-5.3%), neophytadiene (4.8-1.7%), phytol (1.6-7.8%) and phthalic acid (2.1-3.1%). In addition to the qualitative differences between SCMO and SCEO concomitantly, both oleoresins were examined for their pesticidal activities. Oleoresins demonstrated significant nematicidal activity against Meloidogyne incognita, insecticidal activity against Lipaphis erysimi, antifungal activity against Curvularia lunata, and antibacterial activity against Staphylococcus aureus. For nematicidal activity, SCMO and SCEO exhibited a high mortality of 65.66±1.69 and 54.33±1.24 and egg hatching inhibition of 26.33±1.20and 33.33±1.24 at 200 μg/mL. Similarly, SCMO and SCEO exhibited excellent insecticidal activity with 94.87±1.44 % and 86.75±1.85 % mortality at 1000 μg/mL. However, both oleoresins exhibited moderate antifungal and antibacterial activities compared to standards. Due to the quantitative difference in chemical composition and the presence of several phytoconstituents that were absent in SCEO, SCMO displayed stronger pesticidal effects than SCEO. To estimate the binding energy and structure-activity relationships between chemical constituents and pesticidal activities, in silico molecular docking and ADME/Tox studies have also been performed using a web-based online tool. On the basis of the present study, it is inferred that the herb Salvia coccinea might be a good source of phytochemicals and can be used for the development of herbal-based pesticides/formulations after proper clinical trials.
{"title":"Chemo-profiling of methanolic and ether oleoresins of Salvia coccinea and in vitro pesticidal evaluation with in silico molecular docking and ADME/Tox studies","authors":"Kirti Nagarkoti, O. Prakash, A. Rawat, Tanuja Kabdal, Ravendra Kumar, R. Srivastava, Satya Kumar, D. Rawat","doi":"10.5155/eurjchem.14.2.211-222.2416","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.211-222.2416","url":null,"abstract":"The objective of the present study was to examine the chemical compositions of Salvia coccinea oleoresins prepared in methanol and petroleum ether. GC-MS analysis of Salvia coccinea methanolic oleoresin (SCMO) and Salvia coccinea ether oleoresin (SCEO) resulted in the identification of 15 and 12 constituents, comprising 84.7 and 81.2% of the total composition, respectively. Both SCMO and SCEO varied in their chemical composition in terms of quantity, namely, oleic acid (22.3-25.9%), palmitic acid (8.9-8.4%), stigmasta-3,5-dien-7-one (3.4-11.8%), stigmasterol acetate (3.5-5.3%), neophytadiene (4.8-1.7%), phytol (1.6-7.8%) and phthalic acid (2.1-3.1%). In addition to the qualitative differences between SCMO and SCEO concomitantly, both oleoresins were examined for their pesticidal activities. Oleoresins demonstrated significant nematicidal activity against Meloidogyne incognita, insecticidal activity against Lipaphis erysimi, antifungal activity against Curvularia lunata, and antibacterial activity against Staphylococcus aureus. For nematicidal activity, SCMO and SCEO exhibited a high mortality of 65.66±1.69 and 54.33±1.24 and egg hatching inhibition of 26.33±1.20and 33.33±1.24 at 200 μg/mL. Similarly, SCMO and SCEO exhibited excellent insecticidal activity with 94.87±1.44 % and 86.75±1.85 % mortality at 1000 μg/mL. However, both oleoresins exhibited moderate antifungal and antibacterial activities compared to standards. Due to the quantitative difference in chemical composition and the presence of several phytoconstituents that were absent in SCEO, SCMO displayed stronger pesticidal effects than SCEO. To estimate the binding energy and structure-activity relationships between chemical constituents and pesticidal activities, in silico molecular docking and ADME/Tox studies have also been performed using a web-based online tool. On the basis of the present study, it is inferred that the herb Salvia coccinea might be a good source of phytochemicals and can be used for the development of herbal-based pesticides/formulations after proper clinical trials.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41553592","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.193-201.2402
V. C. Campideli, J. M. Montilla-Suárez, T. Silva, D. Sicupira, K. M. Oliveira, R. S. Correa
The mixture of cis and trans-[RuCl2(dppe)2] (dppe: 1,2-bis-(diphenylphosphino)ethane) was prepared and the interaction with CT-DNA was evaluated by several methods, including UV-vis DNA spectroscopic titration, viscosity, and electrochemical studies. Investigation suggests that [RuCl2(dppe)2] interacts moderately with CT-DNA. Interestingly, the cis- and trans-isomers interact differently with DNA, as proved by the square-wave voltammetry studies. Finally, the crystal structure of trans-[RuCl2(dppe)2]Cl was obtained from an electrochemical solution and studied in detail, which presents a distorted octahedral geometry and interatomic parameters different from those found in the trans-[RuCl2(dppe)2] complex. Crystal data for C52H48Cl4P4Ru: triclinic, space group P-1 (no. 2), a = 9.240(3) Å, b = 10.9290(18) Å, c = 11.993(3) Å, α = 78.707(11)°, β = 86.712(13)°, γ = 82.598(13)°, V = 1177.1(5) Å3, Z = 1, T = 293(2) K, μ(MoKα) = 0.732 mm-1, Dcalc = 1.467 g/cm3, 8434 reflections measured (6.934° ≤ 2Θ ≤ 51.986°), 4607 unique (Rint = 0.0973, Rsigma = 0.1171) which were used in all calculations. The final R1 was 0.0537 (I > 2σ(I)) and wR2 was 0.1347 (all data).
{"title":"Exploring DNA-interaction and molecular structure of ruthenium/1,2-bis-(diphenylphosphino)ethane)-based complex","authors":"V. C. Campideli, J. M. Montilla-Suárez, T. Silva, D. Sicupira, K. M. Oliveira, R. S. Correa","doi":"10.5155/eurjchem.14.2.193-201.2402","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.193-201.2402","url":null,"abstract":"The mixture of cis and trans-[RuCl2(dppe)2] (dppe: 1,2-bis-(diphenylphosphino)ethane) was prepared and the interaction with CT-DNA was evaluated by several methods, including UV-vis DNA spectroscopic titration, viscosity, and electrochemical studies. Investigation suggests that [RuCl2(dppe)2] interacts moderately with CT-DNA. Interestingly, the cis- and trans-isomers interact differently with DNA, as proved by the square-wave voltammetry studies. Finally, the crystal structure of trans-[RuCl2(dppe)2]Cl was obtained from an electrochemical solution and studied in detail, which presents a distorted octahedral geometry and interatomic parameters different from those found in the trans-[RuCl2(dppe)2] complex. Crystal data for C52H48Cl4P4Ru: triclinic, space group P-1 (no. 2), a = 9.240(3) Å, b = 10.9290(18) Å, c = 11.993(3) Å, α = 78.707(11)°, β = 86.712(13)°, γ = 82.598(13)°, V = 1177.1(5) Å3, Z = 1, T = 293(2) K, μ(MoKα) = 0.732 mm-1, Dcalc = 1.467 g/cm3, 8434 reflections measured (6.934° ≤ 2Θ ≤ 51.986°), 4607 unique (Rint = 0.0973, Rsigma = 0.1171) which were used in all calculations. The final R1 was 0.0537 (I > 2σ(I)) and wR2 was 0.1347 (all data).","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42708167","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.273-279.2418
Vyshnavi Yelchuri, Thirupathi Azmeera, M. Karuna
The present study involves the synthesis of macrocyclic lactones by the esterification of unsaturated fatty acids (oleic acid, undecenoic acid, and erucic acid) with unsaturated alcohols (allyl alcohol, prop-2-ene-1-ol, oleyl alcohol, and undecenol) followed by a ring closing metathesis reaction employing Grubbs' second generation catalyst (1.0-1.5 mmol). The structure of the compounds was confirmed by 1H NMR, 13C NMR, FT-IR, and ESI-Mass spectral studies. The antibacterial activity of the synthesised lactones was evaluated. The larger ring-sized lactone, namely, erucic acid lactone, exhibited excellent antibacterial activity against three bacterial cell lines, namely, Staphylococcus aureus, Staphylococcus epidermidis, and Bacillus subtilis. Undecenoic acid-based lactones exhibited excellent antibacterial activity selectively against only Staphylococcus epidermidis. The assay of macrolactones for their in vitro anticancer activity was carried out by MTT for different cancer cell lines, namely, human prostate epithelial cancer cells (ATCC HTB-81), HepG2 derived from hepatic cancer cells (ATCC HB-8065), SKOV3 derived from human ovarian cancer cells (ATCC HTB-77), MDAMB-231 derived from human breast cancer cells (ATCC HTB-26) and Chinese hamster ovarian (CHO-K1) cell lines. The molecules selectively exhibited anticancer activity against Chinese hamster ovarian (CHO-K1) cell lines. Among macrolactones, (E)-oxacyclotridec-11-en-2-one (MALUN) was more active and its activity was much higher compared to others and on par with the reference standard Mitomycin C. This was followed by (E)-oxacyclotricos-14-en-2-one (MOLER) and (E)-oxacyclononadec-10-en-2-one (MOLOH). The fatty acid-based cyclic lactones with selective antibacterial and anticancer activities can be further explored for a variety of pharmaceutical formulations.
{"title":"Synthesis of lactones from fatty acids by ring-closing metathesis and their biological evaluation","authors":"Vyshnavi Yelchuri, Thirupathi Azmeera, M. Karuna","doi":"10.5155/eurjchem.14.2.273-279.2418","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.273-279.2418","url":null,"abstract":"The present study involves the synthesis of macrocyclic lactones by the esterification of unsaturated fatty acids (oleic acid, undecenoic acid, and erucic acid) with unsaturated alcohols (allyl alcohol, prop-2-ene-1-ol, oleyl alcohol, and undecenol) followed by a ring closing metathesis reaction employing Grubbs' second generation catalyst (1.0-1.5 mmol). The structure of the compounds was confirmed by 1H NMR, 13C NMR, FT-IR, and ESI-Mass spectral studies. The antibacterial activity of the synthesised lactones was evaluated. The larger ring-sized lactone, namely, erucic acid lactone, exhibited excellent antibacterial activity against three bacterial cell lines, namely, Staphylococcus aureus, Staphylococcus epidermidis, and Bacillus subtilis. Undecenoic acid-based lactones exhibited excellent antibacterial activity selectively against only Staphylococcus epidermidis. The assay of macrolactones for their in vitro anticancer activity was carried out by MTT for different cancer cell lines, namely, human prostate epithelial cancer cells (ATCC HTB-81), HepG2 derived from hepatic cancer cells (ATCC HB-8065), SKOV3 derived from human ovarian cancer cells (ATCC HTB-77), MDAMB-231 derived from human breast cancer cells (ATCC HTB-26) and Chinese hamster ovarian (CHO-K1) cell lines. The molecules selectively exhibited anticancer activity against Chinese hamster ovarian (CHO-K1) cell lines. Among macrolactones, (E)-oxacyclotridec-11-en-2-one (MALUN) was more active and its activity was much higher compared to others and on par with the reference standard Mitomycin C. This was followed by (E)-oxacyclotricos-14-en-2-one (MOLER) and (E)-oxacyclononadec-10-en-2-one (MOLOH). The fatty acid-based cyclic lactones with selective antibacterial and anticancer activities can be further explored for a variety of pharmaceutical formulations.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46158430","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 : 2023-06-30DOI: 10.5155/eurjchem.14.2.165-171.2359
Z. Hassan, I. Sadiq, H. M. Khan, S. Hussain, F. Sadiq, M. Idrees, Muhammad Shahbaz, Samreen Saeed, Muhammad Imran, S. Riaz, S. Naseem
A series of single-phase R-type hexagonal ferrites with the composition Sr1-xMgxFe4Sn2O11 (x = 0.0, 0.1, 0.2, 0.3) were manufactured using the auto-combustion sol-gel method sintered at 800 °C. The objective of this work was to study the effect of Mg additives on the structural, magnetic, and permeability properties of the synthesised material. The X-ray diffraction patterns revealed that all prepared samples have hexagonal structures. The scanning electron micrographs revealed the platelet-like structure of the grains, which would help enhance the magnetic permeability of the materials. Magnetic parameters were investigated in the range of applied field ±12.5 kOe. The hysteresis loops revealed the paramagnetic nature of all the synthesised samples. With the substitution of Mg contents, the maximum magnetization increased from 1.05 to 2.62 (emu/g) and the remanence from 0.02-0.09 (emu/g), while the coercivity also increased. The magnetic permeability was determined over the frequency range of 20 Hz to 20 MHz. The magnetic permeability of the synthesized hexagonal ferrites is enhanced due to the presence of grains having a platelet-like structure. Furthermore, the particle size calculated using Langevin equations varied in the range of 4.7 to 6.5 nm. The calculated magnetic permeability properties make this synthesised ferrite material useful for super-high-frequency devices.
{"title":"Influence of Mg(II) substitution on the structural, magnetic, and permeability properties of R-type hexagonal ferrites","authors":"Z. Hassan, I. Sadiq, H. M. Khan, S. Hussain, F. Sadiq, M. Idrees, Muhammad Shahbaz, Samreen Saeed, Muhammad Imran, S. Riaz, S. Naseem","doi":"10.5155/eurjchem.14.2.165-171.2359","DOIUrl":"https://doi.org/10.5155/eurjchem.14.2.165-171.2359","url":null,"abstract":"A series of single-phase R-type hexagonal ferrites with the composition Sr1-xMgxFe4Sn2O11 (x = 0.0, 0.1, 0.2, 0.3) were manufactured using the auto-combustion sol-gel method sintered at 800 °C. The objective of this work was to study the effect of Mg additives on the structural, magnetic, and permeability properties of the synthesised material. The X-ray diffraction patterns revealed that all prepared samples have hexagonal structures. The scanning electron micrographs revealed the platelet-like structure of the grains, which would help enhance the magnetic permeability of the materials. Magnetic parameters were investigated in the range of applied field ±12.5 kOe. The hysteresis loops revealed the paramagnetic nature of all the synthesised samples. With the substitution of Mg contents, the maximum magnetization increased from 1.05 to 2.62 (emu/g) and the remanence from 0.02-0.09 (emu/g), while the coercivity also increased. The magnetic permeability was determined over the frequency range of 20 Hz to 20 MHz. The magnetic permeability of the synthesized hexagonal ferrites is enhanced due to the presence of grains having a platelet-like structure. Furthermore, the particle size calculated using Langevin equations varied in the range of 4.7 to 6.5 nm. The calculated magnetic permeability properties make this synthesised ferrite material useful for super-high-frequency devices.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47858440","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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