Asian Journal of Chemistry最新文献

{"title":"Excess Thermodynamic Parameters of Binary Liquid Mixtures of Dimethyl Malonate with Isomeric Xylenes at Different Temperatures","authors":"K. Pavan Krishna, P.B. Sandhya Sri, D. C. Sekhar, T.V.L.N. Balaji Gupta, R.L. Satyanarayana","doi":"10.14233/ajchem.2024.30806","DOIUrl":"https://doi.org/10.14233/ajchem.2024.30806","url":null,"abstract":"Over the complete composition range of mole fractions, densities and ultrasonic velocities of binary liquid mixtures of dimethyl malonate with o-xylene, p-xylene and m-xylene were investigated at 303.15-318.15 K. These parameters were chosen to investigate the  impact of substituents and specific locations on several thermodynamic characteristics of binary mixtures. The deviation in adiabatic  compressibility (∆βad), excess molar volume (VE) and excess intermolecular free length (LfE) were estimated using the experimental measurements. These extraneous parameters are fitted to a polynomial equation of the Redlich-Kister type. Along with the obtained parameter values, the standard deviation (σ) was also determined.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"42 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140364201","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}

{"title":"Recent Advancements in the Applications of Covalent Organic Frameworks for Cancer Therapeutics: A Review","authors":"Buddhadeb Dutta, Supratim Suin","doi":"10.14233/ajchem.2024.31061","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31061","url":null,"abstract":"Covalent organic frameworks (COFs) have gained significant attention in recent years as efficient cancer therapeutics owing to their uniform porosity, biocompatibility, diversified structures and stability in the biological medium. This review aimed to explore different synthetic strategies to obtain COFs for biomedical applications. Several synthetic procedures viz. solvothermal synthesis, ionothermal synthesis, microwave synthesis, mechanochemical synthesis, sonochemical synthesis have discussed been in terms of their applications in cancer therapy. The cancer therapeutics involves cancer drug delivery, photodynamic therapy (PDT), photo thermal therapy (PTT) and sonodynamic therapy (SDT). In some instances, single therapeutics treatments appear as inadequate effect and thus necessitate combination therapies for effective cancer termination with minimal side effects. The current study covers all the main synthetic techniques and uses of COFs in various cancer therapeutic treatments.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"41 21","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362237","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}

{"title":"Synthesis, Anticancer Evaluation and Molecular Docking Studies of 1-(2-Fluorobenzyl)piperazine Triazoles: A Novel Breast Cancer Cell Inhibitors","authors":"L. Beliyaiah, R. Javarappa, Abhirami Dilkalal, Vinaya, V. Dwarakanath, Y. Basavaraju","doi":"10.14233/ajchem.2024.31303","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31303","url":null,"abstract":"New series of 1-(2-fluorobenzyl)piperazine triazoles 7(a-k) have been synthesized and evaluated for anticancer activity. The molecular structures of all the compounds were established by employing 1H NMR, 13C NMR and mass spectral analysis. In vitro anticancer activity was evaluated using MTT assay against MCF7 breast cancer cell line. Compounds 7i and 7j bearing 4-fluorophenyl and 2-fluorophenyl pendant from triazole substituent phenyl ring exhibited the highest anticancer efficacy with IC50 values of 12.09 µg/mL and 15.12 µg/mL, respectively. A molecular docking study conducted on human HER2 complexed with hercepatin fab was acquired from Protein Data Bank (PDB ID: 1N8Z). Molecular docking studies demonstrated Leu443, Gly442 and Leu27 as key residues interacting with active compounds.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"40 22","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362275","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}

{"title":"In silico Studies of Cilnidipine Degradation Products for Structure Confirmation, Toxicity Prediction and Molecular Docking","authors":"Krishnam Raju Chintalapati, Yesudas Kada, Vasavi Malkhed, Sanath Kumar Goud Palusa, Rabin Bera, V. S. K. Jagarlapudi","doi":"10.14233/ajchem.2024.31150","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31150","url":null,"abstract":"In this study, a comprehensive analysis of cilnidipine and its degradation products (KD1-KD4 and CD1-CD3) with three main objectives viz. (i) toxicity prediction for bacterial mutagenicity, (ii) assessment of pharmacological activity and (iii) density functional theory (DFT) calculations were performed for structure confirmation. For bacterial mutagenicity prediction, in silico assessments were performed following ICH M7 guidelines. Using rule-based and statistical-based methodologies, predictions revealed an alerting group in CD1-CD3, while no alerting group was observed in KD1-KD4 for bacterial mutagenicity. To assess pharmacological activity, docking studies were conducted to identify the mode of binding and interaction types of cilnidipine and its degradation products with N-type and L-type calcium channel subunits 7VFS and 7UHF, respectively. Additionally, 20 drugs acting as calcium channel blockers were considered for docking analysis to correlate the affinities of binding. The interaction energies revealed that molecule CD3 shows the highest binding affinity with the ligand molecules, with a binding energy of -9.2 (kcal/mol) with 7VFS and -8.7 (kcal/mol) with 7UHF proteins, followed by KD3 with a binding energy of -8.7 (kcal/mol) (7VFS) and -7.9 (kcal/mol) (7UHF). Furthermore, DFT calculations were employed to reassess the structures of degradation products CD1 and CD2 proposed in the literature. Simulating 1H and 13C NMR spectra, the obtained data demonstrated good agreement with experimental results, confirming the proposed stereo-configurations in the literature. Based on in silico bacterial mutagenicity predictions and docking studies, KD3 emerged as a promising compound for receptor binding. Additionally, DFT calculations provided structural insights, affirming stereo-configurations proposed in the existing literature. This multifaceted approach contributed valuable insights into the toxicity, pharmacology and structural aspects of cilnidipine degradation products.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362372","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}

{"title":"Molecular Docking, Toxicity Study and Antimicrobial Assessment of Novel Synthesized 1,3-(Disubstituted)-thiazol-2-amines","authors":"Arun Kumar, Govind Singh, R. Tonk","doi":"10.14233/ajchem.2024.31113","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31113","url":null,"abstract":"In current study, a novel analogous of substituted-2-aminothiazoles (3a-o) were synthesized through a multi-step synthetic process. Structural elucidation of these newly synthesized substituted-2-aminothiazoles were achieved using combination of analytical techniques, comprising proton nuclear magnetic resonance (PNMR), mass spectrometry and FTIR. An in vitro investigation was performed to measure the efficacy of antibacterial and antimycotic characteristics of these novel compounds (3a-o). Specifically, the growth-inhibiting action against the test fungal strains, including A. niger, M. purpureos and A. flavus was examined. Additionally, their inhibitory antibacterial activity against key bacterial strains, including P. aeruginosa, S. aureus and E. coli was ascertained employing the agar diffusion technique. The results of antibacterial screening disclosed that maximum number of the thiazole derivatives viz. 3a, 3d, 3e, 3i, 3k, 3l and 3n displayed minimum inhibitory concentration of 12.5 µg/mL for E. coli. While compounds 3k and 3n displayed minimum inhibitory concentration of 12.5 µg/mL for S. aureus. A minimum inhibitory concentration of 25 µg/mL was exhibited by compounds 3i, 3l and 3n against P. aeruginosa. None of the 2-aminothiazole derivative disclosed promising action against the fungal strains. Screening for in silico ADME and toxicity studies revealed that compounds are fairly compatible and were devoid of potential toxicity except compounds 3j and 3m. The docking studies on DNA gyrase (PDB ID; 1KZN) shows favourable binding interaction comparable to the pre-occupied ligand clorobiocin.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"20 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362694","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}

{"title":"Synthesis, Characterization and Response of Newer Benzamidine Analogues against Porphyromonas gingivalis mediated Peri-Implantitis","authors":"A. Jain, M. Ravichandran, S. Ugrappa, P. Lalitha, Y.S. Wu, Siti N F M Noor, S. Fuloria, V. Subramaniyan, N. K. Fuloria","doi":"10.14233/ajchem.2024.31103","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31103","url":null,"abstract":"Evidence suggests development of various therapeutic strategies against peri-implantitis ranging from plant extracts to synthetic molecules, but the development of resistance and associated side effects motivates the investigators to explore some new therapeutic moieties. Therefore, the present study was aimed to perform the synthesis, characterization, in vitro cytotoxicity analysis and in vitro antimicrobial activity of novel benzamidine analogues (NBA) against Porphyromonas gingivalis mediated peri-implantitis. To achieve the objectives of present study, 12 newer benzamidine analogues (NBA) were designed and subjected to molecular docking against Kgp-lysine specific cysteine proteinases gingipain K (PDB ID: 4RBM). Thus in present study, novel benzamidine analogues (NBA) were synthesized, followed by characterization (using attenuated total reflectance infrared, 1H & 13C NMR and direct infusion mass spectral data), in vitro antimicrobial activity (MIC and MBC) of NBA against P. gingivalis (using micro broth dilution method) and in vitro cytotoxicity analysis of NBA against HEK 293 cells (using MTT assay). The study offered successful synthesis of three NBA (3a-c) and elucidated their structures. All the synthesized NBA exhibited good antimicrobial activity against P. gingivalis with MIC value ranged between 31.25-250 µg/mL. Also, all NBA exhibited weak/negligible cytotoxicity against HEK 293 cells at 7.81 µg/mL. In conclusion, this study has led to the successful synthesis of effective peri-implantitis inhibitors with no significant toxicity. Present study recommends that, in future, the synthesized NBA should be further evaluated for their clinical importance in the peri-implantitis.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"20 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362697","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}

{"title":"Photocatalytic Degradation and Anticancer Activity of Green Synthesized Molybdenum Nanoparticles for Inhibiting the Cervical Cancer Cells","authors":"Sandhya Kutikanti, S. Belwal","doi":"10.14233/ajchem.2024.30273","DOIUrl":"https://doi.org/10.14233/ajchem.2024.30273","url":null,"abstract":"This work reports the synthesis of molybdenum nanoparticles (Mo NPs) through green routes using horse gram seed extracts and characterized by GC-MS, electronic (UV-visible) spectroscopy, IR, XRD and SEM techniques. Their potent applications as in vitro anticancer agent against HeLa cell lines and photocatalytic degradation of methyl orange (MO) and methyl violet (MV) dyes were also evaluated. The anti-malignant properties of Schiff base ligands [2-fluorobenzaldehyde semicarbazone (L1H) and 2-fluorobenzaldehyde thiosemicarbazone (L2H) with molybdenum metal precursor [dioxobis(2,4-pentanedionato)molybdenum] were also explored and their Mo complexes after conversion into nano form as both ligands, L1H and L2H approve their binding property based on molecular docking studies.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"12 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140362808","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}

{"title":"Improving Photocatalytic Performance through Incorporation of Various Cations in A-site of Double Perovskite Material (Cs0.50MA0.50)2SnI6 for Degradation of Methylene Blue Dye Pollutant under Visible Light Irradiation","authors":"R. Raja, J. S. Manoah, M. Vijayan, R. Ganesan","doi":"10.14233/ajchem.2024.31201","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31201","url":null,"abstract":"In this article, undoped double perovskite materials like caesium tin iodide (Cs2SnI6), methyl ammonium tin iodide [MA2SnI6: MA denotes CH3NH3+] and mixed double perovskite material [(Cs0.50MA0.50)2SnI6] were synthesized using a wet chemical methodology. The crystal structure confirmation, optical properties, thermal properties, surface morphology and presence of elemental composition of the prepared samples using XRD, UV, TGA and FESEM-EDAX analyses were thoroughly investigated. The synthesized materials were employed as photocatalysts to degrade methylene blue dye within 120 min under visible light. An increase in the optical properties of the synthesized double perovskite materials was confirmed by ultraviolet (UV) analysis, which showed that the introduction of various cations into the perovskite material at the A-site shifted the photoluminescence (PL) emission peak to the red. TGA results demonstrated that (Cs0.50MA0.50)2SnI6 has greater thermal stability, which was confirmed by the presence of 43% of sample despite the temperature reaching almost 870 ºC. Doped double perovskite material (Cs0.50MA0.50)2SnI6 exhibited increased photocatalytic activity, with methylene blue dye degradation efficiency attaining 89% after 120 min of visible light irradiation, which is greater than pure double perovskite materials. The photocatalytic degradation of methylene blue dye is mostly facilitated by hydroxyl radicals and holes, according to a radical trapping experiment that we conducted by employing different scavengers. The results of the current work showed that doped double perovskite materials [(Cs0.50MA0.50)2SnI6] exhibit high thermal stability as well as higher photocatalytic activity than pure double perovskite materials. A possible photocatalytic reaction process is also diagrammatically using the band positions of double perovskite materials found using Mott-Schottky plots , which confirms that the synthesized double perovskite material has an N-type semiconductor nature.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"55 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140363004","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}

{"title":"Synthesis, Characterization of New Benzopyran Pyrimidines and Study of their Solvatochromic Behaviour","authors":"Kilaru Padma Suhasini, Jayanthi Suresh Kumar, Voosala Christopher, Challa Gangu Naidu","doi":"10.14233/ajchem.2024.30980","DOIUrl":"https://doi.org/10.14233/ajchem.2024.30980","url":null,"abstract":"Five new benzopyran pyrimidines (5a-e) were synthesized in three steps by using silica-sulphuric acid as catalyst. All the synthesized benzopyran pyrimidines with various substituents were characterized by spectroscopic techniques such as 1H NMR, 13C NMR, IR and mass spectroscopy. The structural features of these molecules containing pyrimidine ring with π-conjugated systems and various functional groups on the aromatic rings greatly influence their photophysical properties. Thus, they behave as better candidates for developing the photoelectric materials. Thus, it is proposed to synthesize, characterize and study their solvatochromic behaviour in various polar and non-polar organic solvents viz. dichloromethane, tetrahydrofuran, ethyl acetate, acetonitile and ethanol. Interestingly, all the target molecules exhibited greater Stoke’s shift (λf-λa) in dichloromethane except for compound 5e, which exhibited greater value in tetrahydrofuran, possibly due to the moderately polar nature of the solvent. The synthesized benzopyran pyrimidines displayed solvatochromic characteristics due to the presence of multiple substituted functional groups on the rings in different organic solvents. Due to their remarkable properties, they could serve as potential candidate molecules for future investigations into photoelectric materials.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"41 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140364030","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}

{"title":"Design, Development and Molecular Docking Studies of C-2 Sulfenylated Benzofurans: Potential Interleukin 1-β Antagonist","authors":"Jyoti, Suman Devi, Vikram Kumar, Deepak Wadhwa","doi":"10.14233/ajchem.2024.31210","DOIUrl":"https://doi.org/10.14233/ajchem.2024.31210","url":null,"abstract":"An environmental friendly methodology for C-2 sulfenylation of benzofurans through dehydrogenative cross-coupling has been developed. Sulfenylation at second position is carried out using commercially available thiols in presence of molecular iodine and DMSO. The reaction accommodates wide spectrum of electronically diverse substituents on thiophenol ring. This process offers diverse advantages, including greener reaction conditions, moderate to good percentage yields, easy workup, no additional metal catalysts requirement and gram scale synthesis. Molecular docking studies is also conducted to substantiate interleukin 1-β antagonist nature of the designed compounds.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140363348","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}