RSC Advances最新文献

{"title":"Antileishmanial potential of thiourea-based derivatives: design, synthesis and biological activity†","authors":"Abdul Hadi, Muhammad Yaqoob, Fahad Hussain, Yasser M.S.A Al-Kahraman, Muhammad Saeed Jan, Abid Mahmood, Thomas Shier and Umer Rashid","doi":"10.1039/D4RA04965A","DOIUrl":"https://doi.org/10.1039/D4RA04965A","url":null,"abstract":"<p >Leishmaniasis is a neglected tropical disease caused by protozoan parasites and transmitted to humans by the sandfly vector. Currently, the disease has limited therapeutic alternatives. Thiourea derivatives were designed, synthesized, and screened for antileishmanial activity. The synthesized compounds <strong>4g</strong>, <strong>20a</strong>, and <strong>20b</strong> demonstrated significant <em>in vitro</em> potency against <em>L. major</em>, <em>L. tropica</em>, and <em>L. donovani</em> promastigotes with IC<small>₅₀</small> values at low submicromolar concentrations. Compound <strong>4g</strong> showed the highest activity against the amastigotes of <em>L. major</em>. In enzyme inhibition assays, compounds <strong>4g</strong>, <strong>20a</strong>, and <strong>20b</strong> demonstrated good inhibitory potential against <em>L. major</em> dihydrofolate reductase (DHFR) and pteridine reductase 1 (PTR1). Reversal of the antileishmanial effect by adding folic acid revealed that the compounds <strong>4g</strong>, <strong>20a</strong>, and <strong>20b</strong> act through an antifolate mechanism. Cytotoxicity data on normal human embryonic kidney cells (HEK-293) showed that the synthesized compounds displayed better safety profiles. Docking experiments on the enzymes <em>L. major</em> DHFR and PTR1 demonstrated the significant interactions with the active pocket residues of the target enzymes.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 37131-37141"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04965a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, crystal structure, and antiviral evaluation of new imidazopyridine-schiff base derivatives: in vitro and in silico anti-HIV studies†","authors":"Mohamed Azzouzi, Abderrahim Ait Ouchaoui, Omar Azougagh, Salah Eddine El Hadad, Mohamed Abou-salama, Adyl Oussaid, Christophe Pannecouque and Taoufik Rohand","doi":"10.1039/D4RA07561G","DOIUrl":"https://doi.org/10.1039/D4RA07561G","url":null,"abstract":"<p >A series of Imidazo[1,2-<em>a</em>]pyridine-Schiff base derivatives were synthesized and characterized using <small>¹</small>H NMR, <small>¹³</small>C NMR, Mass Spectrometry and FTIR techniques, and the structure of <strong>4a</strong> was further confirmed through single-crystal X-ray diffraction analysis. Density Functional Theory (DFT) has been used to investigate the structural and electronic properties. The synthesized compounds were evaluated <em>in vitro</em> for their antiviral activity against human immunodeficiency virus type-1 (HIV-1) and human immunodeficiency virus type-2 (HIV-2) in MT-4 cells. Compound <strong>4a</strong> displayed EC<small>₅₀</small> values of 82,02 and 47,72 μg ml<small>⁻¹</small> against HIV-1 and HIV-2, respectively. Molecular docking studies were conducted to gain insights into the interaction mechanism of the synthesized compounds with HIV-1 reverse transcriptase. ADME analysis suggested acceptable pharmacokinetic profiles, though solubility remains a limitation for these compounds, highlighting the need for further structural modifications to enhance bioavailability and therapeutic potential.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36902-36918"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra07561g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effects of hierarchical micro/nanostructures and PDMS/lubricant composites for superior tribological and wetting performance on aluminum","authors":"Sung-Jun Lee, Dawit Zenebe Segu and Chang-Lae Kim","doi":"10.1039/D4RA04121F","DOIUrl":"https://doi.org/10.1039/D4RA04121F","url":null,"abstract":"<p >In this study, we propose a method to enhance the friction and wetting properties of aluminum surfaces with micro-/nanostructures by coating them with a PDMS/lubricant composite. Hierarchical micro/nanostructures were formed on the aluminum surface through an etching process, and coating solutions were prepared by mixing xylene and the PDMS/lubricant composites in various ratios. The surface morphology, roughness, and wettability of the coated specimens were analyzed, and their friction and wear characteristics were evaluated under dry and lubricated conditions. The results showed that the PDMS/lubricant composite coating significantly reduced friction and wear under both dry and lubricated conditions owing to the formation of a stable lubricating film. Additionally, the hierarchical micro/nanostructures formed by the etching process improved hydrophobicity and self-cleaning ability. The coated surface exhibited selective wettability towards water and oil, offering various advantages such as prevention of contamination, prevention of wear and performance degradation caused by lubricant oxidation, and enhanced corrosion resistance. The findings of this study are expected to contribute to the development of lightweight mechanical-component technologies with improved durability and wear resistance.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 37062-37073"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04121f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discrimination of mongoose hair from domestic cattle hair, human hair, and synthetic fiber using FTIR spectroscopy and chemometric analysis: a rapid, cost-effective, and field-deployable tool for wildlife forensics†","authors":"Shinta Ann Jose, Kalaiyarasan Boopathy Thiyagarajan, Chanthini Baskar, Rajinder Singh, Dhayanithi Vasanthakumari and A. Udhayan","doi":"10.1039/D4RA06981A","DOIUrl":"https://doi.org/10.1039/D4RA06981A","url":null,"abstract":"<p >Mongoose hair is used to prepare fine brushes, which increases the demand for mongooses to be poached from the wild and brutally bludgeoned to death. Mongooses were listed as Schedule I species under the Indian Wildlife (Protection) Act 1972. Species identification of wildlife case-related samples is necessary to convict a person under this legislation. Microscopy and DNA-based techniques are commonly used to identify mongoose hair in seized brushes. However, in painting brushes, the roots, and the lower part of the hair are mostly trimmed, and only the upper part is used to make the brushes. In addition, brushes are often prepared with mixed hair from mongoose, domestic cattle, human hair, and synthetic fibre. Therefore, the identification of mongoose hair by microscopy and DNA-based techniques is restricted due to the lack of complete strands of hair and the absence of hair roots. Therefore, there is an urgent need to develop an alternative methodology for the identification of mongoose hair from seized articles. FTIR spectroscopy for forensic analysis has gained significant attention over the years because of its sensitivity, specificity, and non-destructive nature. The present study aimed to discriminate Indian grey mongoose (<em>Herpestes edwardsii</em>) hair from domestic cattle hair (domestic water buffalo and domestic cow), human hair, and synthetic fiber based on their chemical composition using FTIR spectroscopy and chemometric analysis. We have taken hair from four individuals for each species, namely Indian grey mongoose, domestic cattle, human hair, and synthetic fibre. The FTIR spectrum was recorded, and partial least-squares discriminant analysis (PLS-DA) was used to discriminate hair and synthetic fiber. The established PLS-DA model showed an R-square value and an RMSE (root mean square error) value of 0.9 and 0.13 respectively. Our preliminary findings have shown that FTIR spectroscopy combined with chemometrics can quickly discriminate Indian grey mongoose hair, domestic cattle hair, human hair, and synthetic fiber, providing crucial evidence for judicial proceedings.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36937-36944"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06981a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent studies on protein kinase signaling inhibitors based on thiazoles: review to date","authors":"Manal S. Ebaid, Hoda Atef Abdelsattar Ibrahim, Asmaa F. Kassem and Ahmed Sabt","doi":"10.1039/D4RA05601A","DOIUrl":"https://doi.org/10.1039/D4RA05601A","url":null,"abstract":"<p >Due to the important role of protein kinases in protein phosphorylation within vital cellular processes, their abnormal function, especially in cancer situations, has underscored their importance in therapy. Thiazole structures are versatile frameworks present in numerous bioactive compounds. Thiazole derivatives, as a highly favored structural motif, have garnered considerable interest from both industrial and medicinal researchers and have demonstrated notable success over past decades due to their diverse biological properties, including anticancer, antibacterial, antifungal, anti-HIV, antiulcer, and anti-inflammatory activities. Moreover, several thiazole-based drugs are widely recognized pharmaceuticals on the market. Due to their specific structural features, thiazole derivatives have a high potential for interacting with different protein kinases, leading researchers to investigate a variety of structural changes. This thorough review thoroughly examines the design and biological evaluations of small molecules utilizing thiazole as potential agents that target various kinases for anti-cancer applications. These compounds are categorized into two classes: inhibitors of serine/threonine and tyrosine kinases. The goal is to promote the development and progress of more effective, targeted compounds for cancer treatment by highlighting the potential of thiazole in inhibiting kinases.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36989-37018"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05601a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A series of blue phosphorescent iridium complexes with thermally activated delayed fluorescence and efficiency roll-off properties†","authors":"Zheng-Kun Qin, Yun-Kai Zhang, Hui Tian, Zi-Cong Pan, Mei-Qi Wang, Lin Cui, Jin-Yu Wang, Li-Xin Bao, Yu-Hao Wang, Wan-Yi Zhang and Ming-Xing Song","doi":"10.1039/D4RA05828C","DOIUrl":"https://doi.org/10.1039/D4RA05828C","url":null,"abstract":"<p >Six iridium complexes were designed and studied using the DFT approach, (ppy)<small>₂</small>Ir(pic) (<strong>1</strong>), (f<small>₄</small>ppy)<small>₂</small>Ir(pic) (<strong>2</strong>), (ppy)<small>₂</small>Ir(tmd) (<strong>3</strong>), (f<small>₄</small>ppy)<small>₂</small>Ir(tmd) (<strong>4</strong>), (ppy)<small>₂</small>Ir(tpip) (<strong>5</strong>) and (f<small>₄</small>ppy)<small>₂</small>Ir(tpip) (<strong>6</strong>). Here ppy denotes phenylpyridine, f<small>₄</small>ppy denotes 2-(2,3,4,5-tetrafluorophenyl) pyridine, pic denotes benzoic acid, tmd denotes 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one and tpip denotes tetraphenylimido-diphosphinate. The geometries, absorptions, emissions, frontier molecular orbitals, and spin–orbit coupling (SOC) constants of the 6 complexes were evaluated. An intriguing phenomenon was observed during the excitation process of these molecules. It was discovered that, in the ground state, the Frontier Molecular Orbitals (FMOs) of these molecules were loosely arranged throughout the molecule. However, in the Lowest Unoccupied Molecular Orbitals (LUMO) of the triplet excited state, the FMOs become concentrated around the metal core and a maximum of two ligands. Furthermore, the analysis of the energy difference between the lowest singlet excited state and the lowest triplet excited state (Δ<em>E</em><small>_{S<small>₁</small>T<small>₁</small>}</small>) of these complexes in conjunction with their spin–orbit coupling performance indicated that complex <strong>1</strong> exhibits characteristics consistent with Thermally Activated Delayed (TAD) fluorescence. We hope that this research can serve as a reference for practical experimental synthesis.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36895-36901"},"PeriodicalIF":3.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05828c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced desulfurization performance of model fuel by Cu–ZnO/TiO2 heterostructure†","authors":"Jiaxin Xu, Yongjie Zheng, Jingzhi Tian, Yunpeng Zhao and Heshan Zheng","doi":"10.1039/D4RA06833E","DOIUrl":"https://doi.org/10.1039/D4RA06833E","url":null,"abstract":"<p >A facile hydrothermal approach was employed to synthesize a novel Cu–ZnO/TiO<small>₂</small> Z-heterojunction with a high density of defects, which was then utilized for the oxidative desulfurization process, demonstrating excellent photodegradation performance. The results showed that by adjusting components such as Cu, ZnO, and TiO<small>₂</small>, the removal efficiency of DBT reached 88.12% within a duration of 240 min. In the 5 repeated experiments, 7.5%Cu–ZnO/TiO<small>₂</small> still exhibited high stability and could be reused. The improved photocatalytic performance of the 7.5%Cu–ZnO/TiO<small>₂</small> composite can be attributed to its high light absorption capability and well-matched energy levels, which are due to the abundant presence of imperfections. The adoption of a Z-heterojunction has enabled efficient separation and transfer of photo-generated electrons and holes (e<small>⁻</small>/h<small>⁺</small>), thereby reducing the probability of charge carrier recombination.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36733-36744"},"PeriodicalIF":3.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06833e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A timely update on g-C3N4-based photocatalysts towards the remediation of Cr(vi) in aqueous streams","authors":"Sambhu Prasad Pattnaik, Upali Aparajita Mohanty and Kulamani Parida","doi":"10.1039/D4RA07350A","DOIUrl":"https://doi.org/10.1039/D4RA07350A","url":null,"abstract":"<p >Hexavalent chromium (Cr(<small>VI</small>)) is a prominent carcinogen. In environmental engineering, the elimination of hexavalent chromium from aqueous media is a noteworthy field of study. In this regard, nanoparticle science and technology have contributed significantly to the photocatalytic reduction of Cr(<small>VI</small>). In this review, a methodical search was undertaken to discover the most recent advancements in the field of photocatalytic reduction of Cr(<small>VI</small>) utilizing g-C<small>₃</small>N<small>₄</small> and composites derived from it. This paper deals with the advancements and applications of g-C<small>₃</small>N<small>₄</small> and its composites in the Cr(<small>VI</small>) remediation of water-borne pollutants. Different intriguing systems, suggested by various researcher groups, have been discussed. Different characterization techniques often conducted on photocatalysts based on g-C<small>₃</small>N<small>₄</small> have also been highlighted so as to gain an understanding of the Cr(<small>VI</small>) removal process. Lastly, the future scope of the g-C<small>₃</small>N<small>₄</small>-derived photocatalysts, present challenges, and the viability of employing these photocatalysts in an extensive treatment plant have been discussed.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36816-36834"},"PeriodicalIF":3.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra07350a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aminodiols, aminotetraols and 1,2,3-triazoles based on allo-gibberic acid: stereoselective syntheses and antiproliferative activities†","authors":"Zein Alabdeen Khdar, Tam Minh Le, Zsuzsanna Schelz, István Zupkó and Zsolt Szakonyi","doi":"10.1039/D4RA07334G","DOIUrl":"https://doi.org/10.1039/D4RA07334G","url":null,"abstract":"<p >A new series of aminodiols, aminotetraols and 1,2,3-triazoles based on <em>allo</em>-gibberic acid were synthesized in a stereoselective manner, starting from commercially available gibberellic acid. <em>allo</em>-Gibberic acid, prepared from gibberellic acid according to a literature method, was applied to SeO<small>₂</small>/<em>t</em>-BuOOH-mediated allylic oxidation, yielding the triol, which is a key intermediate. After protecting the 1,4-diol functionality as acetonide, epoxidation was performed using either <em>m</em>-CPBA or <em>t</em>-BuOOH/VO(acac)<small>₂</small> to produce the epoxy alcohol. Then, the oxirane ring was opened with either primary amines to provide aminodiols or sodium azide to afford azido diols. The latter was subjected to the CuAAC reaction to obtain dihydroxy 1,2,3-triazoles. HCl-mediated acetonide deprotection of the prepared derivatives furnished aminotetraols and tetrahydroxy 1,2,3-triazoles. The antiproliferative effects of the prepared compounds were studied by the <em>in vitro</em> MTT method against a panel of human cancer cell lines (HeLa, SiHa, A2780, MCF-7 and MDA-MB-231) and fibroblasts, and the structure–activity relationships for the prepared compounds were explored.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36698-36712"},"PeriodicalIF":3.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra07334g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identifying magnetic phases in chemically ordered and disordered FeAl thin films†","authors":"A. Zarzycki, M. S. Anwar, R. Bali, K. Potzger, M. Krupinski and M. Marszalek","doi":"10.1039/D4RA06100D","DOIUrl":"https://doi.org/10.1039/D4RA06100D","url":null,"abstract":"<p >Direct magnetic writing of ferromagnetic nanoscale elements provides an alternative pathway for potential application in data storage or spintronic devices. Magnetic patterning due to local chemical disordering of Fe<small>₆₀</small>Al<small>₄₀</small> thin films results in adjacent nanoscale regions that possess two different phases, <em>viz.</em> a low-magnetization and high-coercive chemically ordered phase (non-irradiated ferromagnetic area, NIFM) and a high-magnetization and low-coercive chemically disordered phase (irradiated ferromagnetic area, IMF). Depending on the volume of NIFM and IFM phases, different interaction mechanisms were revealed. It was shown that the modulated films of the coexisting magnetic phases do not lead to exchange coupling in most cases. Evidence for exchange-spring behaviour, however, was found. Moreover, both magneto-structural phases at low temperatures show spin-glass-like properties. Understanding the influence of chemical ordering on magnetic properties is crucial for the advancement of the functionalities of spintronic devices and for the development of alloys with controllable magnetic properties.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36763-36770"},"PeriodicalIF":3.9,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06100d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}