ChemistrySelect最新文献

{"title":"Correction to “Synthesis, Spectral Analysis and Molecular Docking Investigation of Thiadiazole Based Sulfonamide Derivatives: An Effective Approach Toward Alzheimer's Disease”","authors":"Shoaib Khan,&nbsp;Rafaqat Hussain,&nbsp;Yousaf Khan,&nbsp;Tayyiaba Iqbal,&nbsp;Yameena Tahir,&nbsp;Abdul Hafeez,&nbsp;Hany W. Darwish,&nbsp;Muhammad Adnan","doi":"10.1002/slct.202405170","DOIUrl":"https://doi.org/10.1002/slct.202405170","url":null,"abstract":"<p>In the published version of the paper “Synthesis, spectral analysis and molecular docking investigation of thiadiazole based sulfonamide derivatives: an effective approach toward Alzheimer's disease” (https://doi.org/10.1002/slct.202401473), we neglected to include the following acknowledgment by mistake.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202405170","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cutting-Edge Strategies and Advancements for Combating Synthetic Polymer Pollution in Various Environmental Samples: A Review","authors":"Samreen Sajad,&nbsp;Bharat Kumar Allam,&nbsp;Sushmita Banerjee,&nbsp;M. Z. A. Yahya,&nbsp;Nor Mas Mira Abd Rahman,&nbsp;Pramod Kumar Singh","doi":"10.1002/slct.202402408","DOIUrl":"https://doi.org/10.1002/slct.202402408","url":null,"abstract":"<p>Plastic debris is unavoidably released into the ecosystems, and their physicochemical and mechanical qualities deteriorate when exposed to the environment. This, ultimately, leads to the generation of tiny fragments of plastic, which are known as nanoplastics (&lt;1000 nm) and microplastics (&lt;5 mm). Over the past few years, the pollution of synthetic polymers has been reported in almost all the compartments of the environment across the globe. It is regarded as a hazard to both human health and natural systems. In addition, synthetic polymers act as vectors for contaminants as they can adsorb and accumulate contaminants from seawater. The accumulation of plastic waste in the environment and its widespread presence have drawn the attention of policymakers and the public. This global issue has led to the creation of numerous remediation solutions by innovators in previous decades, either to clear up old waste or to stop plastic from entering the various matrices of the environment. This review focused on the extensive scientific research available on effective techniques for removing plastic debris to promote positive action and progress in this important area. Despite the various challenges, these techniques offer vital opportunities, from increasing awareness to enhancing environmental quality. Further, the article has been enriched by incorporating bibliometric data that illustrates the widely used methods for removing microplastics from various environmental matrices. According to the data analysis, numerous remediation techniques have been developed to date (2010 and 2024). These techniques encompass various approaches, among which the chemical-based methods enjoy more success. This success can be attributed to the diverse advantages offered by chemical-based methods over other remediation techniques. Much research is now focused on overcoming the disadvantages and developing more efficient and environmentally sound technologies.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sulfamic Acid Catalyzed One-Pot Three-Component Synthesis of Spiro-Oxindole Fused Dihydroquinazolinone Derivatives in Aqueous Medium","authors":"Bubun Banerjee,&nbsp;Aditi Sharma,&nbsp;Anu Priya,&nbsp;Arvind Singh,&nbsp;Manmeet Kaur","doi":"10.1002/slct.202403948","DOIUrl":"https://doi.org/10.1002/slct.202403948","url":null,"abstract":"<p>A simple, efficient, and straightforward protocol has been developed for the synthesis of spiro-oxindole fused dihydroquinazolinone derivatives from one-pot three-component reactions of isatoic anhydride, various primary anilines, and substituted isatins using a catalytic amount of sulfamic acid as an organocatalyst in water under refluxed conditions. All the synthesized compounds were formed within just 2 h and isolated pure by simple filtration with excellent yields (89%–94%). Gram scale production, use of commercially available low-cost organocatalyst, green solvent, reusability of the medium, one-pot three-component reaction strategy, no column chromatography, and high atom economy are some of the major benefits of this newly developed protocol.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, Synthesis, and Molecular Docking Analysis of 4-Quinolone-2-Carboxylic Acid Derivatives as Antimicrobial Agents","authors":"Ekta Verma,&nbsp;Shweta Mishra,&nbsp;Mahendra Kumar Pal,&nbsp;Shailendra Patil,&nbsp;Asmita Gajbhiye","doi":"10.1002/slct.202403704","DOIUrl":"https://doi.org/10.1002/slct.202403704","url":null,"abstract":"<p>Quinolones represent a class of potent antibacterial agents that primarily function by inhibiting bacterial topoisomerases and DNA gyrase. A crucial feature of their structure is a carboxylic acid group at the C-3 position, which facilitates interaction with the active sites of these enzymes. Since the mid-20th century, the emergence and proliferation of antimicrobial resistance (AMR) have posed significant challenges in society, necessitating the development of novel therapeutic agents. In this context, a new series of quinolone derivatives has been designed and synthesized based on transtorine. All synthesized compounds were tested against both Gram-positive and Gram-negative bacteria, as well as three fungal strains. Among the new compounds, <b>5a</b>, <b>5d</b>, and <b>5f</b> demonstrated superior activity against Gram-negative bacteria, with <b>5a</b> showing notable effectiveness against <i>P. aeruginosa</i> compared to ciprofloxacin and norfloxacin. However, none of the compounds exhibited activity against fungal strains. Molecular docking studies revealed that compound <b>5a</b> inhibited five bacterial proteins, primarily targeting bacterial cell wall synthesis. Additionally, ADMET parameters indicated that the promising compounds are suitable for oral administration with limited penetration across the blood–brain barrier compared to existing standards. This research indicates a potential pathway for developing new quinolone-based antibiotics in the fight against AMR.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unlocking the Potential of Nanocellulose: Transforming Cellulose Into a Sustainable Resource for Innovative Applications","authors":"Guruprasad R. Mavlankar,&nbsp;Minakshi N. Bhatu,&nbsp;Prajakta P. Baikar,&nbsp;Dr. Shubhangi P. Patil","doi":"10.1002/slct.202402065","DOIUrl":"https://doi.org/10.1002/slct.202402065","url":null,"abstract":"<p>Since cellulose is the most common biopolymer in the world, there has been a lot of interest in its nanoscale version called nanocellulose due to the growing demand for sustainable products. To validate nanocellulose as a key component in the shift to a bio-based economy, this review provides a thorough and critical assessment of the valorization of cellulose into nanocellulose, highlighting its unique properties, cutting-edge extraction methods, surface modifications, and multiple applications. The study thoroughly compares nanocellulose with other natural and synthetic polymers, in contrast to earlier research, emphasizing the latter's inferior mechanical qualities, biocompatibility, and adaptability. In addition, we discuss recent developments in surface modification and extraction techniques that improve the performance of nanocellulose in high-impact applications like medication administration, electronics, packaging, and environmental remediation. This analysis demonstrates the economic and sustainability potential of nanocellulose and suggests strategic options for future research by summarizing recent advances and identifying research gaps. Our study shows that turning cellulose into nanocellulose is valuable not just as a research project but also as a critical first step in creating long-lasting materials to deal with the pressing issues of the twenty-first century.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Heat Treatment of PTFE/PDMS/Nano-silica Deposited Layer for Preparation of Superhydrophobic Coating with Anti-corrosion, Anti-scaling, and Anti-fouling Properties","authors":"Zichao Yin,&nbsp;Zhenhua Sun,&nbsp;Junyi Li,&nbsp;Haigang Zhou,&nbsp;Jingjing Qi,&nbsp;Weidong Wang","doi":"10.1002/slct.202404251","DOIUrl":"https://doi.org/10.1002/slct.202404251","url":null,"abstract":"<p>PTFE-based superhydrophobic coatings have received increasing research and the fabricated coatings exhibited excellent anti-corrosion, anti-scaling, anti-fouling, and anti-icing properties. In order to further enhance the hydrophobicity of PTFE coating, a PTFE-based coating consisted of nano-silica and polydimethylsiloxane (PDMS) was fabricated by deposition coating and annealing treatment. The water contact angle and sliding angle of the coating achieved 160.65° and 3.02°, respectively, demonstrating it possessed superhydrophobic property. Due to its excellent surface feature, the coating exhibited resistance to milk, coffee, and mud water, and could be easily cleaned by water flow. Besides, the water droplet on the coating had a longer freezing time and the ice droplet could be easily removed from the coating. Ascribed to the abundant nonpolar groups and the air cushion formed under water, the prepared coating had outstanding anti-scaling and anti-corrosion properties. The electrochemical impedance of the steel plate with the coating (above 9000 Ω·cm²) increased by two orders of magnitude compared with the non-coating one (78.2 Ω·cm²), and the anti-scaling rates of the coating towards BaSO₄ and SrSO₄ were all above 80%. It is promising that the coating will be a competitive candidate in many application fields.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Effects of Coagulation on Adsorption of Micropollutants in Waste Water Treatment Plants","authors":"Kadir Özdemir","doi":"10.1002/slct.202403043","DOIUrl":"https://doi.org/10.1002/slct.202403043","url":null,"abstract":"<p>In this study, the potential positive or negative effects of the coagulation process during the adsorption of micropollutants were investigated in treated waste water. Single-walled carbon nanotubes (SWCNTs) were employed as adsorbents in batch adsorption processes. Alum was used as a coagulant in batch coagulation experiments carried out in the laboratory to coagulate water samples obtained from effluents at the advanced biological wastewater treatment plant in the center of Zonguldak (ZWWTP), Turkey. The ultrafiltration process (UF) was used to demonstrate the importance of the dissolved organic matter content (DOM) for the removal of micropollutants by coagulation and adsorption. Consequently, coagulation was found to be effective in the removal of hydrophobic organics, that is, DOM fractions with molecular weights of 5 kDa and 1–3 kDa, while adsorption with SWCNT was effective in the removal of hydrophilic organics (&lt;1 kDa). SWCNT adsorption was effective for the removal of carbamazepine, diclofenac, and triclosan in combined treatment steps. Furthermore, the removal of carbamazepine, diclofenac, and triclosan was above 90% with SWCNT adsorption before coagulation. It was concluded that the significant correlation between micropollutant removal and the reduction in UV₂₅₄ is attributed to the general non-selectivity of adsorption on the SWCNTs surface. Micropollutants and UV₂₅₄ absorbing compounds adsorb simultaneously. It can be reasonably deduced that a high/low adsorptive removal of a specific micropollutant is typically accompanied by a high/low removal of UV₂₅₄-absorbing substances. Even though the majority of micropollutants also absorb UV₂₅₄, their concentrations in municipal wastewater are insignificant in comparison to the overall UV₂₅₄ measurements. Hence, correcting the actual UV₂₅₄ measurements of the combined treatment for removal by coagulation produces adsorptive UV₂₅₄ removal. In other words, if the removal of UV₂₅₄ by coagulation is already known, the actual UV₂₅₄ measurements obtained in a combined treatment step can be adjusted to produce UV₂₅₄ removal by SWCNT adsorption. Therefore, UV₂₅₄ can be used as a control parameter for carbamazepine, diclofenac, and triclosan removal and SWCNT dosing control utilizing differential U_V254 measurements can be implemented.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic Methodology, SAR and Pharmacology of Commercialized Preparations Employing 1, 2, 4-Triazole Analogues","authors":"Research Student Sucheta Singh,&nbsp;Assistant Professor Meenakshi Kaira,&nbsp;Research Student Hrithik Dey,&nbsp;Dr. Kailash C. Pandey,&nbsp;Dr. Research Scientist Sumit Tahlan,&nbsp;Research Student Kuldeep Singh","doi":"10.1002/slct.202404350","DOIUrl":"https://doi.org/10.1002/slct.202404350","url":null,"abstract":"<p>The domain of medicinal chemistry has witnessed a notable surge of interest in triazoles owing to their unique structural characteristics and wide range of applications. The versatility of their synthesis methods has facilitated the creation of compound libraries with remarkable pharmacological activities, including antiviral, antiepileptic, anxiolytic, hypnotic/sedatives anticancer, antifungal, and antidepressant activities. Several techniques have been documented in the literature for generating 1,2,4-triazole derivatives. The mechanisms governing the pharmacological effects of the formulations containing 1,2,4-triazoles were elucidated and made clear. In addition to reviewing existing marketed formulations, this review explores emerging trends and innovations in this field. This review offers a comprehensive perspective on the importance of triazoles for influencing contemporary research, fostering innovation, and driving technological progress.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cover Picture: (ChemistrySelect 44/2024)","authors":"","doi":"10.1002/slct.202484401","DOIUrl":"https://doi.org/10.1002/slct.202484401","url":null,"abstract":"<p>\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.202484401","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simulating New Fusidic Acid Derivatives to Target Gram-Positive Bacteria by Using Computational Methods","authors":"Md. Shamim Hossain,&nbsp;Mohiuddin Sakib,&nbsp;Shofiur Rahman,&nbsp;Mahmoud A. Al-Gawati,&nbsp;Abdullah N. Alodhayb,&nbsp;Hamad Albrithen,&nbsp;Md. Mainul Hossain,&nbsp;Raymond A. Poirier,&nbsp;Kabir M. Uddin","doi":"10.1002/slct.202404142","DOIUrl":"https://doi.org/10.1002/slct.202404142","url":null,"abstract":"<p>Gram-positive bacteria represent a significant threat due to their resistance to conventional antibiotics. This study employs computational methods to investigate fusidic acid (FA) derivatives (<b>1</b>–<b>24</b>) as potential antibiotics against Gram-positive bacteria. Techniques such as density functional theory calculations, molecular docking, and molecular dynamics simulations were utilized to evaluate ligand interactions with target proteins <i>Staphylococcus aureus</i> (<i>S. aureus</i>) elongation factor G (<i>fusA)</i> (2XEX), fusidic acid resistance protein (<i>fusB</i>) (4ADN), and fusidic acid resistance protein (<i>fusC</i>) (2YB5), comparing them to established antibiotics (ceftobiprole, linezolid, vancomycin). Notably, ligand 16 demonstrated a remarkable binding affinity to the <i>S. aureus</i> elongation factor G protein (−8.7 kcal mol⁻¹), closely aligning with both in vitro and in vivo results and outperforming fusidic acid and reference drugs. In silico methods (SwissADME, AdmetSAR, Molinspiration, Molsoft) were used to assess pharmacokinetics and drug-likeness. Molecular dynamics (MD) simulations confirmed superior <i>S. aureus</i> elongation factor G stability for ligands fusidic acid <b>1</b>, (Z)-2-((3R,4S,8S,9R,10S,11R,13S,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)-5-cyclohexylidene- pentanoic acid (<b>14</b>), (Z)-2-((3R,4S,8S,9R,10S,11R,13S, 14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)-5cyclohexylidenepentanoic acid (<b>16</b>), and (Z)-2-((3R,4S,8S,9R,10S,11R,13S,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)-5-cyclopentylidenepentanoic acid (<b>17</b>), with ligand <b>16</b> exhibiting exceptional stability across various temperatures, especially at human body temperature (310 K). Further molecular dynamics simulations of ligand <b>16</b> validated its robust stability and potential to disrupt <i>S. aureus</i> elongation factor G, supporting the docking results and showing strong consistency with in vitro and in vivo findings. Consequently, ligand <b>16</b> emerges as a promising candidate for further development as an anti-Gram-positive bacterial drug, pending validation through rigorous clinical trials.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 44","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}