A new library of 1,2,3-triazole aryl-attached (4,6-dimethoxy-1,3,5-triazin-2-yl) thiazoles (11a–j) has been designed and synthesized and its structures were characterized by 1H NMR 13C NMR and mass spectral data. Further, these derivatives (11a-j) were evaluated for their anticancer activity against four human cancer cell lines, including PC3 (prostate cancer), A549 (lung cancer), MCF-7 (breast cancer) and A2780 (ovarian cancer) by employing the MTT method, and the obtained results were compared with etoposide. Among all the examined compounds, 11a, 11b, 11c, 11i and 11j displayed the most promising activity. Particularly, two compounds 11a and 11b possessed good activity.
{"title":"Rational design, synthesis and biological evaluation 1,2,3-triazole aryl attached (4,6-dimethoxy-1,3,5-triazin-2-yl)thiazole derivatives as anticancer agents","authors":"Renuka Charugandla , Sridhar Chidara , Ashok Dasari , Somaiah Nalla , Raghu Babu Korupolu , S.K. Raziya , Kishore Babu Bonige","doi":"10.1016/j.rechem.2024.101806","DOIUrl":"10.1016/j.rechem.2024.101806","url":null,"abstract":"<div><div>A new library of 1,2,3-triazole aryl-attached (4,6-dimethoxy-1,3,5-triazin-2-yl) thiazoles (<strong>11a–j</strong>) has been designed and synthesized and its structures were characterized by <sup>1</sup>H NMR <sup>13</sup>C NMR and mass spectral data. Further, these derivatives (<strong>11a-j</strong>) were evaluated for their anticancer activity against four human cancer cell lines, including PC3 (prostate cancer), A549 (lung cancer), MCF-7 (breast cancer) and A2780 (ovarian cancer) by employing the MTT method, and the obtained results were compared with etoposide. Among all the examined compounds, <strong>11a, 11b, 11c, 11i</strong> and <strong>11j</strong> displayed the most promising activity. Particularly, two compounds <strong>11a</strong> and <strong>11b</strong> possessed good activity.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101806"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the current contribution, silver impregnated and un impregnated bimetallic oxide nanocomposites of SnCuO3 were synthesized by a novel surfactant mediated chemical approach. The tween-80 was used as a surfactant to effectively modulate the morphological features of the nanocomposites. The synthesized nanocomposites were characterized by XRD, HRTEM, SEM, EDX, FTIR and XPS. The results revealed the rod-shaped surface morphology of the nanocomposites with length and diameter of 245 nm and 66 nm respectively. The synthesized nanocomposites were tested for catalytic and biomedical applications. The rate of catalytic degradation reaction of methylene blue by the SnCuO3 and Ag/SnCuO3 nanocomposites were found to be 10.2 and 8.5 respectively. Only in 10 min all the dye molecules were degraded. The synthesized nanomaterials SnCuO3 and Ag/SnCuO3 are potent antileishmanial agents having CC50 value 12728.03 and 3001.70 µg/mL respectively that were found to be biocompatible with very low toxicity as revealed by their hemolytic activity results. Moreover, the nanostructures exhibited promising antibacterial properties by effectively inhibiting the growth of both E. coli and S. aureus bacteria through photoinhibition. When subjected to visible light irradiation, the growth inhibition zone of Ag/SnCuO3 against E. coli and S. aureus was measured at (15 ± 0.4 mm) and (17 ± 0.3 mm), respectively. These nanostructures demonstrated the ability to impede bacterial proliferation and viability, underscoring their potential for use in water disinfection and as antibacterial coatings utilizing Ag/SnCuO3.
{"title":"Advanced catalytic and biomedical applications of silver functionalized SnCuO3 nanocomposites synthesized through novel surfactant mediated chemical approach","authors":"Riaz Ahmad Khan , Hidayat Ullah Khan , Sameerah I. Al-Saeedi , Shahnaz , Kamran Tahir , Afaq Ullah Khan , Nora Awad Alkudaisi , Zainab M. Almarhoon , Magdi E.A. Zaki , Abdus Subhan","doi":"10.1016/j.rechem.2024.101833","DOIUrl":"10.1016/j.rechem.2024.101833","url":null,"abstract":"<div><div>In the current contribution, silver impregnated and un impregnated bimetallic oxide nanocomposites of SnCuO<sub>3</sub> were synthesized by a novel surfactant mediated chemical approach. The tween-80 was used as a surfactant to effectively modulate the morphological features of the nanocomposites. The synthesized nanocomposites were characterized by XRD, HRTEM, SEM, EDX, FTIR and XPS. The results revealed the rod-shaped surface morphology of the nanocomposites with length and diameter of 245 nm and 66 nm respectively. The synthesized nanocomposites were tested for catalytic and biomedical applications. The rate of catalytic degradation reaction of methylene blue by the SnCuO<sub>3</sub> and Ag/SnCuO<sub>3</sub> nanocomposites were found to be 10.2 and 8.5 respectively. Only in 10 min all the dye molecules were degraded. The synthesized nanomaterials SnCuO<sub>3</sub> and Ag/SnCuO<sub>3</sub> are potent antileishmanial agents having CC<sub>50</sub> value 12728.03 and 3001.70 µg/mL respectively that were found to be biocompatible with very low toxicity as revealed by their hemolytic activity results. Moreover, the nanostructures exhibited promising antibacterial properties by effectively inhibiting the growth of both <em>E. coli</em> and <em>S. aureus</em> bacteria through photoinhibition. When subjected to visible light irradiation, the growth inhibition zone of Ag/SnCuO<sub>3</sub> against <em>E. coli</em> and <em>S. aureus</em> was measured at (15 ± 0.4 mm) and (17 ± 0.3 mm), respectively. These nanostructures demonstrated the ability to impede bacterial proliferation and viability, underscoring their potential for use in water disinfection and as antibacterial coatings utilizing Ag/SnCuO<sub>3</sub>.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101833"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101847
Yavar Ahmadi
Allylation of aldehydes is one of the most important organic transformations that helps in the synthesis of compounds with special skeletons with unique medicinal properties. From 2001 to 2024, extensive research has been done in this field using different catalysts, and this organic technology is maturing. Most of the studies are based on the use of different catalysts and various ligands to obtain maximum diastereoselectivity and enantioselectivity. In this review, we have summarized recent research on the allylation of aldehydes using various allylation agents, including allyl acetate, allyl trichlorosilane, allyltributyltin, allylbromides, allylchlorides, cyclic allylic halides, and allylboronic acid pinacol ester. Additionally, we have reviewed studies from 2001 to the present. The primary focus of this review is the overall progress in this field.
{"title":"Allylation of aldehydes with various allylation agents","authors":"Yavar Ahmadi","doi":"10.1016/j.rechem.2024.101847","DOIUrl":"10.1016/j.rechem.2024.101847","url":null,"abstract":"<div><div>Allylation of aldehydes is one of the most important organic transformations that helps in the synthesis of compounds with special skeletons with unique medicinal properties. From 2001 to 2024, extensive research has been done in this field using different catalysts, and this organic technology is maturing. Most of the studies are based on the use of different catalysts and various ligands to obtain maximum diastereoselectivity and enantioselectivity. In this review, we have summarized recent research on the allylation of aldehydes using various allylation agents, including allyl acetate, allyl trichlorosilane, allyltributyltin, allylbromides, allylchlorides, cyclic allylic halides, and allylboronic acid pinacol ester. Additionally, we have reviewed studies from 2001 to the present. The primary focus of this review is the overall progress in this field.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101847"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101842
Leila Kamrani Tamardash , Mohammad Bakherad , Hamid Bakherad , Fatemeh Jalali , Zeinab Mozafari , Ali Keivanloo
This paper presents the design, synthesis, and evaluation of a series of novel 1,2,3-triazole-pyrazole hybrids. These compounds were specifically developed to assess their cytotoxic activities against various microorganisms and cancer cell lines, namely MCF7 and OVCAR3. The results of the in vitro testing revealed that several compounds exhibited significant inhibitory effects on both microorganisms and cancer cells. Notably, compound 7e demonstrated exceptional antibacterial activity against E. coli, with an effective concentration range of 0.778 ± 0.009 µM. Additionally; compound 7c displayed the highest inhibitory effect on P. aeruginosa and C. albicans, with an effective concentration of 0.743 ± 0.005 µM. In terms of cytotoxicity, compound 7a showed the most potent effect against MCF7 cells, with an IC50 value of 0.304 ± 0.006 µM. Furthermore, compound 5b exhibited the highest cytotoxicity against OVCAR3 cells, with a concentration of 0.233 ± 0.001 µM. These findings indicate the potential of the synthesized 1,2,3-triazole-pyrazole hybrids as promising candidates for further investigation as antimicrobial and anticancer agents. Molecular docking was employed to explore the binding mode between the synthesized and developed compounds and their respective targets. The active site of the receptor displayed diverse hydrophilic and hydrophobic interactions, underscoring the significant potential of the synthesized chemical compounds. To ensure further validation, an analysis of absorption, distribution, metabolism, excretion, and toxicity (ADMET) was conducted on the synthesized pyrazole carboxamide derivatives. The outcomes of this study strongly confirm that the proposed compounds are potent against different microorganisms.
{"title":"Synthesis, and molecular docking studies of novel 1,2,3-triazoles-linked pyrazole carboxamides as significant anti-microbial and anti-cancer agents","authors":"Leila Kamrani Tamardash , Mohammad Bakherad , Hamid Bakherad , Fatemeh Jalali , Zeinab Mozafari , Ali Keivanloo","doi":"10.1016/j.rechem.2024.101842","DOIUrl":"10.1016/j.rechem.2024.101842","url":null,"abstract":"<div><div>This paper presents the design, synthesis, and evaluation of a series of novel 1,2,3-triazole-pyrazole hybrids. These compounds were specifically developed to assess their cytotoxic activities against various microorganisms and cancer cell lines, namely MCF7 and OVCAR3. The results of the in vitro testing revealed that several compounds exhibited significant inhibitory effects on both microorganisms and cancer cells. Notably, compound <strong>7e</strong> demonstrated exceptional antibacterial activity against <em>E. coli</em>, with an effective concentration range of 0.778 ± 0.009 µM. Additionally; compound <strong>7c</strong> displayed the highest inhibitory effect on <em>P. aeruginosa</em> and <em>C. albicans</em>, with an effective concentration of 0.743 ± 0.005 µM. In terms of cytotoxicity, compound <strong>7a</strong> showed the most potent effect against MCF7 cells, with an IC50 value of 0.304 ± 0.006 µM. Furthermore, compound <strong>5b</strong> exhibited the highest cytotoxicity against OVCAR3 cells, with a concentration of 0.233 ± 0.001 µM. These findings indicate the potential of the synthesized 1,2,3-triazole-pyrazole hybrids as promising candidates for further investigation as antimicrobial and anticancer agents. Molecular docking was employed to explore the binding mode between the synthesized and developed compounds and their respective targets. The active site of the receptor displayed diverse hydrophilic and hydrophobic interactions, underscoring the significant potential of the synthesized chemical compounds. To ensure further validation, an analysis of absorption, distribution, metabolism, excretion, and toxicity (ADMET) was conducted on the synthesized pyrazole carboxamide derivatives. The outcomes of this study strongly confirm that the proposed compounds are potent against different microorganisms.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101842"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Levocetirizine, an antihistamine, has been analyzed in relation to temperature by volumetric, acoustic, and spectroscopic methods to investigate its interaction with glucose, the predominant carbohydrate. Density and ultrasonic velocity for LC (0–0.10 mol dm−3) at different temperature (298.15, 308.15 and 318.15 K) in water and in aqueous solution of glucose (0.05, 0.10 and 0.15 mol kg−1) have been recorded using Anton Paar DSA 5000 M. The apparent molar volume (, limiting apparent molar volume ( apparent molar compressibility , limiting apparent molar compressibility ( were computed utilizing the experimental data. In addition, the transfer parameters of LC from water to aqueous glucose solutions were identified and elucidated using the co-sphere model. The transfer volumes have been utilized to estimate the interaction coefficients. Limiting apparent molar expansibility ( and Hepler’s constant was obtained to throw light upon the structure-making or structure-breaking effect of solute. Multiple acoustical parameters like isentropic compressibility (), relaxation strength (r), intermolecular free length (), specific acoustic impedance (Z), Wada’s constant (W), relative association (), Rao’s constant (), molar volume (), Van der Waals constant (b), and free volume () were determined to validate the thermodynamic results.
{"title":"Insights from volumetric, acoustic, conductance and spectroscopic studies to study the molecular interactions of drug Levocetirizine in aqueous and aqueous glucose solutions at varying temperatures","authors":"Navya Grover , Vivek Pathania , Shashi Kiran Vermani , B.K. Vermani , Shrutila Sharma","doi":"10.1016/j.rechem.2024.101837","DOIUrl":"10.1016/j.rechem.2024.101837","url":null,"abstract":"<div><div>Levocetirizine, an antihistamine, has been analyzed in relation to temperature by volumetric, acoustic, and spectroscopic methods to investigate its interaction with glucose, the predominant carbohydrate. Density and ultrasonic velocity for LC (0–0.10 mol dm<sup>−3</sup>) at different temperature (298.15, 308.15 and 318.15 K) in water and in aqueous solution of glucose (0.05, 0.10 and 0.15 mol kg<sup>−1</sup>) have been recorded using Anton Paar DSA 5000 M. The apparent molar volume (<span><math><mrow><msub><mi>V</mi><mi>ϕ</mi></msub><mrow><mo>)</mo></mrow></mrow></math></span>, limiting apparent molar volume (<span><math><mrow><msubsup><mi>V</mi><mrow><mi>ϕ</mi></mrow><mn>0</mn></msubsup><mrow><mo>)</mo><mo>,</mo></mrow></mrow></math></span> apparent molar compressibility <span><math><mrow><msub><mrow><mo>(</mo><mi>K</mi></mrow><mrow><mi>ϕ</mi><mo>,</mo><mi>S</mi></mrow></msub><mrow><mo>)</mo></mrow></mrow></math></span>, limiting apparent molar compressibility (<span><math><mrow><msubsup><mi>K</mi><mrow><mi>ϕ</mi><mo>,</mo><mi>S</mi></mrow><mn>0</mn></msubsup><mrow><mo>)</mo></mrow></mrow></math></span> were computed utilizing the experimental data. In addition, the transfer parameters of LC from water to aqueous glucose solutions were identified and elucidated using the co-sphere model. The transfer volumes have been utilized to estimate the interaction coefficients. Limiting apparent molar expansibility (<span><math><mrow><msubsup><mi>ϕ</mi><mrow><mi>E</mi></mrow><mn>0</mn></msubsup><mrow><mo>)</mo></mrow></mrow></math></span> and Hepler’s constant was obtained to throw light upon the structure-making or structure-breaking effect of solute. Multiple acoustical parameters like isentropic compressibility (<span><math><msub><mi>K</mi><mi>S</mi></msub></math></span>), relaxation strength (<em>r</em>), intermolecular free length (<span><math><msub><mi>L</mi><mi>f</mi></msub></math></span>), specific acoustic impedance (<em>Z</em>), Wada’s constant (<em>W</em>), relative association (<span><math><msub><mi>R</mi><mi>A</mi></msub></math></span>), Rao’s constant (<span><math><msub><mi>R</mi><mi>m</mi></msub></math></span>), molar volume (<span><math><msub><mi>V</mi><mi>m</mi></msub></math></span>), Van der Waals constant (<em>b</em>), and free volume (<span><math><msub><mi>V</mi><mi>f</mi></msub></math></span>) were determined to validate the thermodynamic results.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101837"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101803
Warda Parveen , Shah Noor , Alnumutari A. Leiila , Johar jamil , Rashid Iqbal , Hamid Ali , Wang Bo
Inhibiting cholinesterase (ChE) such as AChE and BChE is thought to be one of the most effective treatments for Alzheimer’s disease (AD) and dementia. In the present work, a new facile method for (1S,4S)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine based analogues 4 (a–p) in good yield (66–93 %) were synthesized by refluxing demethylsertraline (2) with different aldehydes and ketones 3 (a–p). The newly synthesized analogues 4 (a–p) were characterized by physical and spectroscopic techniques for instance FTIR, LR-MS and HR-MS. The synthesized demethylsertraline based analogues 4 (a–p) were examined for their biological activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). In case of AChE activity, electron donating substituents have shown more inhibition as 4–hydroxyphenyl– (4b, IC50, 0.98 ± 0.99 µM) and 3,4–dimethoxyyphenyl– (4c, IC50, 1.0 ± 0.98 µM) and exhibited excellent binding affinity. In case of BChE activity, 4e consisting of electron withdrawing substituent has shown potent inhibition (1.26 ± 0.34 µM). Similarly, 4i and 4n depicted good inhibition with IC50 values 1.66 ± 0.78 µM and 1.66 ± 0.98 µM respectively as they possess weakly donating substituents. The structure activity relationship of BChE inhibition has shown opposite trend than AChE inhibition. It has been scrutinized that strong electron donating substituent decrease the BChE inhibitory activities whereas electron withdrawing groups greatly enhance the enzyme inhibition activity. In silico study of the synthesized compounds 4 (a–p) of the series was carried out. Compound 4b demonstrated excellent interaction with AChE compare with Eserine (standard) with a score of 6228 and an ACE value of –101.33 kcal/mol. Compound 4e demonstrated potent interaction with BChE compare with Eserine (standard) with a score of 6028 and ACE value of –258.53 kcal/mol. Compound 4b has the potential to serve as a lead molecule in medication development for Alzheimer’s disease treatment.
{"title":"Design and synthesis of novel tetrahydronephthalene-1-amine based analogues as cholinesterase inhibitors","authors":"Warda Parveen , Shah Noor , Alnumutari A. Leiila , Johar jamil , Rashid Iqbal , Hamid Ali , Wang Bo","doi":"10.1016/j.rechem.2024.101803","DOIUrl":"10.1016/j.rechem.2024.101803","url":null,"abstract":"<div><div>Inhibiting cholinesterase (ChE) such as AChE and BChE is thought to be one of the most effective treatments for Alzheimer’s disease (AD) and dementia. In the present work, a new facile method for (1S,4S)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine based analogues <strong>4 (a–p)</strong> in good yield (66–93 %) were synthesized by refluxing demethylsertraline <strong>(2)</strong> with different aldehydes and ketones <strong>3 (a–p)</strong>. The newly synthesized analogues <strong>4 (a–p)</strong> were characterized by physical and spectroscopic techniques for instance FTIR, LR-MS and HR-MS. The synthesized demethylsertraline based analogues <strong>4 (a–p)</strong> were examined for their biological activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). In case of AChE activity, electron donating substituents have shown more inhibition as 4–hydroxyphenyl– (<strong>4b</strong>, IC<sub>50</sub>, 0.98 ± 0.99 µM) and 3,4–dimethoxyyphenyl– (<strong>4c</strong>, IC<sub>50</sub>, 1.0 ± 0.98 µM) and exhibited excellent binding affinity. In case of BChE activity, <strong>4e</strong> consisting of electron withdrawing substituent has shown potent inhibition (1.26 ± 0.34 µM). Similarly, <strong>4i</strong> and <strong>4n</strong> depicted good inhibition with IC<sub>50</sub> values 1.66 ± 0.78 µM and 1.66 ± 0.98 µM respectively as they possess weakly donating substituents. The structure activity relationship of BChE inhibition has shown opposite trend than AChE inhibition. It has been scrutinized that strong electron donating substituent decrease the BChE inhibitory activities whereas electron withdrawing groups greatly enhance the enzyme inhibition activity. <em>In silico</em> study of the synthesized compounds <strong>4 (a–p)</strong> of the series was carried out. Compound <strong>4b</strong> demonstrated excellent interaction with AChE compare with Eserine (standard) with a score of 6228 and an ACE value of –101.33 kcal/mol. Compound <strong>4e</strong> demonstrated potent interaction with BChE compare with Eserine (standard) with a score of 6028 and ACE value of –258.53 kcal/mol. Compound <strong>4b</strong> has the potential to serve as a lead molecule in medication development for Alzheimer’s disease treatment.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101803"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101853
Namory Méité , Elogne Guessan Zoro , Bi Irié Hervé Goure Doubi , Ali Sanou , Lébé Prisca Marie-Sandrine Kouakou , Norbert Fenzl , Luis Otavio do Canto Lopes , Léon Koffi Konan
Bioplastics’ life cycle assessment (LCA) is a vital tool for evaluating their environmental impact. It makes it possible to measure the consequences throughout the life cycle, from creation to the end of life. New composites are increasingly tending to be part of a circular economy. It is therefore essential to know how they behave (production, processing, uses, ageing, composting, etc.) throughout the recovery cycle. Additives make it simple to plastify starch, a naturally occurring polymer. However, the primary characteristics of thermoplastic starch-based polymers are their high-water sensitivity and malleable mechanical qualities. For packing purposes, they are either heat-treated or not, and strengthened with kaolin and metakaolin. The objective of this work is to evaluate the life cycle and aging of clay-reinforced cassava starch-based biocomposites. To do this, a clay denoted KB from Bonoua composed mainly of quartz (14 %) and clay minerals kaolinite (75 %) and illite (11 %) and cassava starch (powder) with a median diameter of 19 μm were used. The biocomposites developed by the evaporative casting method were reinforced with kaolin (noted BPKB) and metakaolin (heat-treated kaolin at 700 °C/1h) (noted BPMKB). Based on investigations into thermal, optical, and biodegradation processes, it seems that in the UV-B, UV-A, and visible spectrums, biocomposites become most opaque at wavelengths of 300 nm, 350 nm, and 750 nm. Kaolin and metakaolin reinforced biocomposites (BPKB and BPMKB) are resistant up to 150 °C. Biocomposites placed in the soil or on the surface degrade up to 98 % (m/m). Degraded biocomposites can be used as compost and fertilizer for cassava crops.
{"title":"Ageing, optical and life-cycle analysis of clay-reinforced cassava starch biocomposites","authors":"Namory Méité , Elogne Guessan Zoro , Bi Irié Hervé Goure Doubi , Ali Sanou , Lébé Prisca Marie-Sandrine Kouakou , Norbert Fenzl , Luis Otavio do Canto Lopes , Léon Koffi Konan","doi":"10.1016/j.rechem.2024.101853","DOIUrl":"10.1016/j.rechem.2024.101853","url":null,"abstract":"<div><div>Bioplastics’ life cycle assessment (LCA) is a vital tool for evaluating their environmental impact. It makes it possible to measure the consequences throughout the life cycle, from creation to the end of life. New composites are increasingly tending to be part of a circular economy. It is therefore essential to know how they behave (production, processing, uses, ageing, composting, etc.) throughout the recovery cycle. Additives make it simple to plastify starch, a naturally occurring polymer. However, the primary characteristics of thermoplastic starch-based polymers are their high-water sensitivity and malleable mechanical qualities. For packing purposes, they are either heat-treated or not, and strengthened with kaolin and metakaolin. The objective of this work is to evaluate the life cycle and aging of clay-reinforced cassava starch-based biocomposites. To do this, a clay denoted KB from Bonoua composed mainly of quartz (14 %) and clay minerals kaolinite (75 %) and illite (11 %) and cassava starch (powder) with a median diameter of 19 μm were used. The biocomposites developed by the evaporative casting method were reinforced with kaolin (noted BPKB) and metakaolin (heat-treated kaolin at 700 °C/1h) (noted BPMKB). Based on investigations into thermal, optical, and biodegradation processes, it seems that in the UV-B, UV-A, and visible spectrums, biocomposites become most opaque at wavelengths of 300 nm, 350 nm, and 750 nm. Kaolin and metakaolin reinforced biocomposites (BPKB and BPMKB) are resistant up to 150 °C. Biocomposites placed in the soil or on the surface degrade up to 98 % (m/m). Degraded biocomposites can be used as compost and fertilizer for cassava crops.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101853"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101852
Arsha P. Mohan, V.G. Viju Kumar, M.S. Meenukutty, V.G. Vidya
The title compound N’-[(E)-(2-Hydroxy-1-naphthyl)methylene]benzohydrazide was compounded completely by the condensation reaction between 2-hydroxynaphthaldehyde and benzhydrazide. The Schiff base obtained was attributed by single-crystal X-ray diffraction (SCXRD), FT-IR, UV–Visible spectroscopy, and mass spectrometry. Computational validation was performed using DFT- B3LYP/6–311 + G(d,p) theory to ascertain the optimal geometry of the compound. Thermodynamic parameters and nonlinear optical (NLO) plots were also investigated. The HOMO-LUMO energy gap was found to be 3.6380 eV. Mulliken charges were found and electrostatic field surface mapping conducted to explore various properties. Theoretical findings were consistent with experimental results. Molecular docking studies revealed that the Schiff base exhibits antimalarial activity against Plasmodium falciparum, with the LibDock score and binding energy assessed for the malaria-causing protein 4WZ3. ADMET analysis indicated favorable pharmacokinetic properties of the synthesized ligand compared to current antimalarial drugs, highlighting its potential for malaria treatment.
{"title":"Novel schiff base as potent antimalarial: Synthesis, single crystal x-ray structure, spectroscopic analysis, theoretical investigation and molecular docking studies","authors":"Arsha P. Mohan, V.G. Viju Kumar, M.S. Meenukutty, V.G. Vidya","doi":"10.1016/j.rechem.2024.101852","DOIUrl":"10.1016/j.rechem.2024.101852","url":null,"abstract":"<div><div>The title compound N’-[(E)-(2-Hydroxy-1-naphthyl)methylene]benzohydrazide was compounded completely by the condensation reaction between 2-hydroxynaphthaldehyde and benzhydrazide. The Schiff base obtained was attributed by single-crystal X-ray diffraction (SCXRD), FT-IR, UV–Visible spectroscopy, and mass spectrometry. Computational validation was performed using DFT- B3LYP/6–311 + G(d,p) theory to ascertain the optimal geometry of the compound. Thermodynamic parameters and nonlinear optical (NLO) plots were also investigated. The HOMO-LUMO energy gap was found to be 3.6380 eV. Mulliken charges were found and electrostatic field surface mapping conducted to explore various properties. Theoretical findings were consistent with experimental results. Molecular docking studies revealed that the Schiff base exhibits antimalarial activity against <em>Plasmodium falciparum</em>, with the LibDock score and binding energy assessed for the malaria-causing protein 4WZ3. ADMET analysis indicated favorable pharmacokinetic properties of the synthesized ligand compared to current antimalarial drugs, highlighting its potential for malaria treatment.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101852"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.rechem.2024.101849
Tavga Sulaiman Rashid , Yaseen Galali , Hayman Kakakhan Awla , S. Mohammad Sajadi
Apart from antibiotic resistance, the increasing incidence of cancers is among the serious health challenges facing humans today around the world. These indeed need new and environmentally friendly solutions. In this respect, synthesis and application of nanoparticles simply AgNPs have become of compelling interest within the last few years, especially within the area of biomedicine. The green synthesis of AgNPs using plant extracts is one of the promising eco-friendly methods that has treated microbial infections and acted against cancerous activities. A literature search on databases Web of Science, PubMed, and Scopus was performed between January 2023 and October 2023 in light of PRISMA. Afterward, screening for articles by title and abstract was implemented. Then, retrieved eligible studies were assessed for full-text inclusion criteria analysis. The reviewed findings show that AgNPs have contributed to health-related applications in the development of consumer goods like UV-resistant ointments and cosmetics. Their biomedical application is huge, especially regarding developing diagnosis devices for viruses such as Ebola, yellow fever, and Dengue. AgNPs thereby exhibited formidable antimicrobial action against a wide array of pathogenic microorganisms, each representing Gram-positive and Gram-negative bacteria. It proved to be effective even against antibiotic-resistant strains and pathogenic fungi. Besides this, their anticancer potentialities are quite extraordinary. In short, all these studies have given evidence for outstanding antimicrobial and anticancer efficiencies of biologically synthesized AgNPs to combat some of the serious health issues of the modern era.
{"title":"Recent advances in applications, antimicrobial, cytotoxic activities and their associated mechanism of green silver nanoparticles: A review","authors":"Tavga Sulaiman Rashid , Yaseen Galali , Hayman Kakakhan Awla , S. Mohammad Sajadi","doi":"10.1016/j.rechem.2024.101849","DOIUrl":"10.1016/j.rechem.2024.101849","url":null,"abstract":"<div><div>Apart from antibiotic resistance, the increasing incidence of cancers is among the serious health challenges facing humans today around the world. These indeed need new and environmentally friendly solutions. In this respect, synthesis and application of nanoparticles simply AgNPs have become of compelling interest within the last few years, especially within the area of biomedicine. The green synthesis of AgNPs using plant extracts is one of the promising eco-friendly methods that has treated microbial infections and acted against cancerous activities. A literature search on databases Web of Science, PubMed, and Scopus was performed between January 2023 and October 2023 in light of PRISMA. Afterward, screening for articles by title and abstract was implemented. Then, retrieved eligible studies were assessed for full-text inclusion criteria analysis. The reviewed findings show that AgNPs have contributed to health-related applications in the development of consumer goods like UV-resistant ointments and cosmetics. Their biomedical application is huge, especially regarding developing diagnosis devices for viruses such as Ebola, yellow fever, and Dengue. AgNPs thereby exhibited formidable antimicrobial action against a wide array of pathogenic microorganisms, each representing Gram-positive and Gram-negative bacteria. It proved to be effective even against antibiotic-resistant strains and pathogenic fungi. Besides this, their anticancer potentialities are quite extraordinary. In short, all these studies have given evidence for outstanding antimicrobial and anticancer efficiencies of biologically synthesized AgNPs to combat some of the serious health issues of the modern era.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101849"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In the current work, a new series of methyl-10-amino-9-cyano-6-oxo-8-aryl-6,8-dihydro-5H-pyrido[1,2-a]quinoxaline-7-carboxylate derivatives were efficiently designed and prepared using a convenient route in excellent yields by four-component reactions among benzene-1,2-diamine, dimethyl acetylenedicarboxylate, various aromatic aldehydes and malononitrile. These reactions were carried out in acetonitrile at ambient temperature under catalyst-free conditions for 7 h. The structures of the new obtained compounds were confirmed by NMR, IR, EI-MS and elemental analysis. The antibacterial activity of the synthesized products was studied using bacterial strains: Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa. The results showed that all the synthesized compounds are effective against Staphylococcus aureus, Bacillus subtilis and Escherichia coli bacteria.
{"title":"A simple and highly efficient catalyst-free for the synthesis of dihydro pyrido[1, 2-a]quinoxaline derivatives by four component reactions and evaluation of their antibacterial activity","authors":"Mahmoud Nassiri , Jaber Salehzadeh , Forough Jalili Milani , Parisa Babaei","doi":"10.1016/j.rechem.2024.101844","DOIUrl":"10.1016/j.rechem.2024.101844","url":null,"abstract":"<div><div>In the current work, a new series of methyl-10-amino-9-cyano-6-oxo-8-aryl-6,8-dihydro-5<em>H</em>-pyrido[1,2-<em>a</em>]quinoxaline-7-carboxylate derivatives were efficiently designed and prepared using a convenient route in excellent yields by four-component reactions among benzene-1,2-diamine, dimethyl acetylenedicarboxylate, various aromatic aldehydes and malononitrile. These reactions were carried out in acetonitrile at ambient temperature under catalyst-free conditions for 7 h. The structures of the new obtained compounds were confirmed by NMR, IR, EI-MS and elemental analysis. The antibacterial activity of the synthesized products was studied using bacterial strains: <em>Staphylococcus aureus</em>, <em>Bacillus subtilis</em>, <em>Escherichia coli</em>, and <em>Pseudomonas aeruginosa</em>. The results showed that all the synthesized compounds are effective against <em>Staphylococcus aureus</em>, <em>Bacillus subtilis</em> and <em>Escherichia coli</em> bacteria.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"11 ","pages":"Article 101844"},"PeriodicalIF":2.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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