Nafeesa Naeem, Amina Sadiq, Gehan Ahmed Othman, Habab M. Yassin and Ehsan Ullah Mughal
Heterocyclic compounds represent a prominent class of molecules with diverse pharmacological activities. Among their therapeutic applications, they have gained significant attention as carbonic anhydrase (CA) inhibitors, owing to their potential in the treatment of various diseases such as epilepsy, cancer and glaucoma. CA is a widely distributed zinc metalloenzyme that facilitates the reversible interconversion of carbon dioxide and bicarbonate. This reaction is essential for numerous physiological and pathological processes. In humans, CA exists in sixteen different isoforms, labeled hCA-I to hCA-XV, each distributed across various tissues and organs and involved in crucial physiological functions. Clinically utilized CA inhibitors, such as brinzolamide, dorzolamide and acetazolamide, exhibit poor selectivity, leading to undesirable side effects. A significant challenge in designing effective CA inhibitors is achieving balanced isoform selectivity, prompting the exploration of new chemotypes. This review compiles recent strategies employed by various researchers in developing CAIs across different structural classes, including pyrazoline, quinoline, imidazole, oxadiazole, pyrimidine, coumarin, chalcone, rhodanine, phthalazine, triazole, isatin, and indole. Additionally, the review summarizes structure–activity relationship (SAR) analyses, isoform selectivity evaluations, along with mechanistic and in silico investigations. Insights derived from SAR studies provide crucial directions for the rational design of next-generation heterocyclic CA inhibitors, with improved therapeutic efficacy and reduced side effects. To the best of our knowledge, for the first time, we have comprehensively summarized all known isoforms of CA in relation to various heterocyclic motifs. This review examines the use of different heterocycles as CA inhibitors, drawing on research published over the past 11 years. It offers a valuable resource for early-career researchers, encouraging further exploration of synthetic heterocycles in the development of CA inhibitors.
杂环化合物是一类具有多种药理活性的重要分子。在其治疗应用中,碳酸酐酶(CA)抑制剂因其在治疗癫痫、癌症和青光眼等多种疾病方面的潜力而备受关注。CA 是一种广泛分布的锌金属酶,可促进二氧化碳和碳酸氢盐的可逆性相互转化。这一反应对许多生理和病理过程至关重要。在人体中,CA 有 16 种不同的同工酶,从 hCA-I 到 hCA-XV,每种同工酶都分布在不同的组织和器官中,参与重要的生理功能。临床上使用的 CA 抑制剂(如布林佐胺、多佐胺和乙酰佐胺)选择性较差,导致不良副作用。设计有效的 CA 抑制剂的一个重大挑战是实现平衡的同工酶选择性,这促使人们探索新的化学类型。本综述汇编了不同研究人员最近在开发不同结构类别的 CAIs 时所采用的策略,包括吡唑啉、喹啉、咪唑、噁二唑、嘧啶、香豆素、查尔酮、罗丹宁、酞嗪、三唑、异atin 和吲哚。此外,综述还总结了结构-活性关系(SAR)分析、同工酶选择性评估以及机理和硅学研究。从 SAR 研究中获得的启示为合理设计下一代杂环 CA 抑制剂提供了重要方向,从而提高了疗效并减少了副作用。据我们所知,我们首次全面总结了 CA 的所有已知同工酶与各种杂环基团的关系。这篇综述以过去 11 年发表的研究为基础,探讨了不同杂环作为 CA 抑制剂的应用。它为早期研究人员提供了宝贵的资源,鼓励他们在开发 CA 抑制剂时进一步探索合成杂环。
{"title":"Exploring heterocyclic scaffolds in carbonic anhydrase inhibition: a decade of structural and therapeutic insights","authors":"Nafeesa Naeem, Amina Sadiq, Gehan Ahmed Othman, Habab M. Yassin and Ehsan Ullah Mughal","doi":"10.1039/D4RA06290F","DOIUrl":"https://doi.org/10.1039/D4RA06290F","url":null,"abstract":"<p >Heterocyclic compounds represent a prominent class of molecules with diverse pharmacological activities. Among their therapeutic applications, they have gained significant attention as carbonic anhydrase (CA) inhibitors, owing to their potential in the treatment of various diseases such as epilepsy, cancer and glaucoma. CA is a widely distributed zinc metalloenzyme that facilitates the reversible interconversion of carbon dioxide and bicarbonate. This reaction is essential for numerous physiological and pathological processes. In humans, CA exists in sixteen different isoforms, labeled hCA-I to hCA-XV, each distributed across various tissues and organs and involved in crucial physiological functions. Clinically utilized CA inhibitors, such as brinzolamide, dorzolamide and acetazolamide, exhibit poor selectivity, leading to undesirable side effects. A significant challenge in designing effective CA inhibitors is achieving balanced isoform selectivity, prompting the exploration of new chemotypes. This review compiles recent strategies employed by various researchers in developing CAIs across different structural classes, including pyrazoline, quinoline, imidazole, oxadiazole, pyrimidine, coumarin, chalcone, rhodanine, phthalazine, triazole, isatin, and indole. Additionally, the review summarizes structure–activity relationship (SAR) analyses, isoform selectivity evaluations, along with mechanistic and <em>in silico</em> investigations. Insights derived from SAR studies provide crucial directions for the rational design of next-generation heterocyclic CA inhibitors, with improved therapeutic efficacy and reduced side effects. To the best of our knowledge, for the first time, we have comprehensively summarized all known isoforms of CA in relation to various heterocyclic motifs. This review examines the use of different heterocycles as CA inhibitors, drawing on research published over the past 11 years. It offers a valuable resource for early-career researchers, encouraging further exploration of synthetic heterocycles in the development of CA inhibitors.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 35769-35970"},"PeriodicalIF":3.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06290f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600493","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}
Imen Romdhane, Asma Ajmi, Mohamed Ben Bechir, Regis Barille and Abdallah Ben Rhaiem
In recent years, inorganic perovskite materials based on metallic halides have attracted significant attention due to their non-toxicity and ease of synthesis, making them suitable for various applications. This article describes the slow evaporation approach at room temperature for the fabrication of a non-toxic inorganic perovskite based on metallic halide Cs2ZnCl4. This compound crystallizes in the orthorhombic phase of the Pnma space group, as confirmed by room temperature X-ray diffraction. Through SEM-EDX studies, the morphological distribution and grain size of the Cs2ZnCl4 crystal were determined. Optical investigations of our compound in the 200–800 nm wavelength range indicate that the direct band gap has a value of around 3.80 eV. The photoluminescence analysis reveals the highest emission peak at around 340 nm. By employing the Cauchy law in ellipsometry spectroscopy, the refractive index (n) and the extinction coefficient (k) were determined. Moreover, a fluorescence image of Cs2ZnCl4 powder was captured using a confocal microscope. The electrical properties, including the dielectric constant, the loss factor, and the electrical modulus, have been determined in the temperature range of 313 to 433 K. Utilizing the Maxwell–Wagner effect as proposed by the Koop theory, the thermal variation of permittivity has been interpreted. The Kohlrausch–Williams–Watts equation (KWW) was used to assess the asymmetric curves of the electrical modulus.
{"title":"Cs2ZnCl4: a lead-free all-inorganic perovskite with a large dielectric permittivity †","authors":"Imen Romdhane, Asma Ajmi, Mohamed Ben Bechir, Regis Barille and Abdallah Ben Rhaiem","doi":"10.1039/D4RA04755A","DOIUrl":"https://doi.org/10.1039/D4RA04755A","url":null,"abstract":"<p >In recent years, inorganic perovskite materials based on metallic halides have attracted significant attention due to their non-toxicity and ease of synthesis, making them suitable for various applications. This article describes the slow evaporation approach at room temperature for the fabrication of a non-toxic inorganic perovskite based on metallic halide Cs<small><sub>2</sub></small>ZnCl<small><sub>4</sub></small>. This compound crystallizes in the orthorhombic phase of the <em>Pnma</em> space group, as confirmed by room temperature X-ray diffraction. Through SEM-EDX studies, the morphological distribution and grain size of the Cs<small><sub>2</sub></small>ZnCl<small><sub>4</sub></small> crystal were determined. Optical investigations of our compound in the 200–800 nm wavelength range indicate that the direct band gap has a value of around 3.80 eV. The photoluminescence analysis reveals the highest emission peak at around 340 nm. By employing the Cauchy law in ellipsometry spectroscopy, the refractive index (<em>n</em>) and the extinction coefficient (<em>k</em>) were determined. Moreover, a fluorescence image of Cs<small><sub>2</sub></small>ZnCl<small><sub>4</sub></small> powder was captured using a confocal microscope. The electrical properties, including the dielectric constant, the loss factor, and the electrical modulus, have been determined in the temperature range of 313 to 433 K. Utilizing the Maxwell–Wagner effect as proposed by the Koop theory, the thermal variation of permittivity has been interpreted. The Kohlrausch–Williams–Watts equation (KWW) was used to assess the asymmetric curves of the electrical modulus.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36253-36263"},"PeriodicalIF":3.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04755a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600454","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}
Magdalena Zybert, Hubert Ronduda, Wojciech Patkowski, Andrzej Ostrowski, Kamil Sobczak and Wioletta Raróg-Pilecka
Y-modified perovskite-type oxides BaCe1−xYxO3−δ (x = 0–0.30) were synthesised and used as supports for cobalt catalysts. The influence of yttrium content on the properties of the support and catalyst performance in the ammonia synthesis reaction was examined using PXRD, STEM-EDX, and sorption techniques (N2 physisorption, H2-TPD, CO2-TPD). The studies revealed that the incorporation of a small amount of yttrium into barium cerate (up to 10 mol%) increased specific surface area and basicity. The catalyst testing under conditions close to the industrial ones (T = 400–470 °C, p = 6.3 MPa, H2/N2 = 3) showed that the most active catalyst was deposited on a support containing 10 mol% Y. The NH3 synthesis reaction rate was 15–20% higher than that of the undoped Co/BaCeO3 catalyst. The activity of the catalysts decreased with further increasing Y content in the support (up to 30 mol%). However, all the studied Co/BaCe1−xYxO3−δ catalysts exhibited excellent thermal stability, over 240 h of operation. The particularly beneficial properties of the catalyst containing 10 mol% of Y were associated with the highest basicity of the support surface, favourable adsorption properties (suitable proportion of weakly and strongly hydrogen-binding sites), and preferred size of cobalt particles (60 nm). The Co/BaCe0.90Y0.10O3−δ catalyst showed better ammonia synthesis performance compared to the commercial iron catalyst (ZA-5), giving prospects for process reorganisation towards energy-efficient ammonia production.
{"title":"Improving the catalytic performance of Co/BaCeO3 catalyst for ammonia synthesis by Y-modification of the perovskite-type support†","authors":"Magdalena Zybert, Hubert Ronduda, Wojciech Patkowski, Andrzej Ostrowski, Kamil Sobczak and Wioletta Raróg-Pilecka","doi":"10.1039/D4RA06251E","DOIUrl":"https://doi.org/10.1039/D4RA06251E","url":null,"abstract":"<p >Y-modified perovskite-type oxides BaCe<small><sub>1−<em>x</em></sub></small>Y<small><sub><em>x</em></sub></small>O<small><sub>3−<em>δ</em></sub></small> (<em>x</em> = 0–0.30) were synthesised and used as supports for cobalt catalysts. The influence of yttrium content on the properties of the support and catalyst performance in the ammonia synthesis reaction was examined using PXRD, STEM-EDX, and sorption techniques (N<small><sub>2</sub></small> physisorption, H<small><sub>2</sub></small>-TPD, CO<small><sub>2</sub></small>-TPD). The studies revealed that the incorporation of a small amount of yttrium into barium cerate (up to 10 mol%) increased specific surface area and basicity. The catalyst testing under conditions close to the industrial ones (<em>T</em> = 400–470 °C, <em>p</em> = 6.3 MPa, H<small><sub>2</sub></small>/N<small><sub>2</sub></small> = 3) showed that the most active catalyst was deposited on a support containing 10 mol% Y. The NH<small><sub>3</sub></small> synthesis reaction rate was 15–20% higher than that of the undoped Co/BaCeO<small><sub>3</sub></small> catalyst. The activity of the catalysts decreased with further increasing Y content in the support (up to 30 mol%). However, all the studied Co/BaCe<small><sub>1−<em>x</em></sub></small>Y<small><sub><em>x</em></sub></small>O<small><sub>3−<em>δ</em></sub></small> catalysts exhibited excellent thermal stability, over 240 h of operation. The particularly beneficial properties of the catalyst containing 10 mol% of Y were associated with the highest basicity of the support surface, favourable adsorption properties (suitable proportion of weakly and strongly hydrogen-binding sites), and preferred size of cobalt particles (60 nm). The Co/BaCe<small><sub>0.90</sub></small>Y<small><sub>0.10</sub></small>O<small><sub>3−<em>δ</em></sub></small> catalyst showed better ammonia synthesis performance compared to the commercial iron catalyst (ZA-5), giving prospects for process reorganisation towards energy-efficient ammonia production.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36281-36294"},"PeriodicalIF":3.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06251e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600457","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}
Joshua O. Ighalo, Setyo Budi Kurniawan, Banlambhabok Khongthaw, Junaidah Buhari, P. K. Chauhan, Jordana Georgin and Dison Stracke Pfingsten Franco
Bisphenol A (BPA) raises concerns among the scientific community as it is one of the most widely used compounds in industrial processes and a component of polycarbonate plastics and epoxy resins. In this review, we discuss the mechanism of BPA toxicity in food-grade plastics. Owing to its proliferation in the aqueous environment, we delved into the performance of various biological, physical, and chemical techniques for its remediation. Detailed mechanistic insights into these removal processes are provided. The toxic effects of BPA unravel as changes at the cellular level in the brain, which can result in learning difficulties, increased aggressiveness, hyperactivity, endocrine disorders, reduced fertility, and increased risk of dependence on illicit substances. Bacterial decomposition of BPA leads to new intermediates and products with lower toxicity. Processes such as membrane filtration, adsorption, coagulation, ozonation, and photocatalysis have also been shown to be efficient in aqueous-phase degradation. The breakdown mechanism of these processes is also discussed. The review demonstrates that high removal efficiency is usually achieved at the expense of high throughput. For the scalable application of BPA degradation technologies, removal efficiency needs to remain high at high throughput. We propose the need for process intensification using an integrated combination of these processes, which can solve multiple associated performance challenges.
双酚 A(BPA)引起了科学界的关注,因为它是工业生产中使用最广泛的化合物之一,也是聚碳酸酯塑料和环氧树脂的成分之一。在本综述中,我们将讨论食品级塑料中双酚 A 的毒性机理。由于双酚 A 在水环境中的扩散,我们深入研究了各种生物、物理和化学技术对其进行修复的性能。我们对这些去除过程进行了详细的机理研究。双酚 A 的毒性作用表现为大脑细胞层的变化,可导致学习困难、攻击性增强、多动、内分泌失调、生育能力下降以及对非法物质依赖的风险增加。细菌分解双酚 A 会产生毒性较低的新中间体和产品。膜过滤、吸附、混凝、臭氧和光催化等过程在水相降解中也被证明是有效的。此外,还讨论了这些过程的分解机制。综述表明,高去除效率通常是以牺牲高通量为代价的。为了实现双酚 A 降解技术的规模化应用,需要在高产能的情况下保持高去除效率。我们提出需要利用这些工艺的综合组合来强化工艺,从而解决多个相关的性能挑战。
{"title":"Bisphenol A (BPA) toxicity assessment and insights into current remediation strategies","authors":"Joshua O. Ighalo, Setyo Budi Kurniawan, Banlambhabok Khongthaw, Junaidah Buhari, P. K. Chauhan, Jordana Georgin and Dison Stracke Pfingsten Franco","doi":"10.1039/D4RA05628K","DOIUrl":"https://doi.org/10.1039/D4RA05628K","url":null,"abstract":"<p >Bisphenol A (BPA) raises concerns among the scientific community as it is one of the most widely used compounds in industrial processes and a component of polycarbonate plastics and epoxy resins. In this review, we discuss the mechanism of BPA toxicity in food-grade plastics. Owing to its proliferation in the aqueous environment, we delved into the performance of various biological, physical, and chemical techniques for its remediation. Detailed mechanistic insights into these removal processes are provided. The toxic effects of BPA unravel as changes at the cellular level in the brain, which can result in learning difficulties, increased aggressiveness, hyperactivity, endocrine disorders, reduced fertility, and increased risk of dependence on illicit substances. Bacterial decomposition of BPA leads to new intermediates and products with lower toxicity. Processes such as membrane filtration, adsorption, coagulation, ozonation, and photocatalysis have also been shown to be efficient in aqueous-phase degradation. The breakdown mechanism of these processes is also discussed. The review demonstrates that high removal efficiency is usually achieved at the expense of high throughput. For the scalable application of BPA degradation technologies, removal efficiency needs to remain high at high throughput. We propose the need for process intensification using an integrated combination of these processes, which can solve multiple associated performance challenges.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 35128-35162"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05628k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598697","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}
Minjun Kim, Moonsung Park, Hobin Seon, Sohyun Choi, Hee Joong Kim and Sangwon Kim
Facile adjustment of the behavior of dual cross-linked polymer-ionic liquid composites (PICs) for stretchable electronics was achieved via solution blending of two copolymers having the same monomer pairs. Two poly(docosyl acrylate-r-tert-butyl acrylate) (poly(A22-r-tBA)) copolymers with different molar ratios were synthesized and solution-cast with ionic liquids (ILs) to fabricate ternary PICs. The phase behavior and the thermal and structural properties of the composites were investigated by varying the mixing ratio, providing insights into the cross-linking mechanisms. The observed changes enabled systematic modulation of the stretchability, thermal stability, and self-healing capability of PICs, which are crucial attributes of wearable devices. Mechanically tough and conductive PICs were utilized in fabricating strain sensors capable of detecting human motion.
{"title":"Tailoring dual cross-linked polymer-ionic liquid composites by blending co-crystallizable polymers for stretchable electronics†","authors":"Minjun Kim, Moonsung Park, Hobin Seon, Sohyun Choi, Hee Joong Kim and Sangwon Kim","doi":"10.1039/D4RA05968A","DOIUrl":"https://doi.org/10.1039/D4RA05968A","url":null,"abstract":"<p >Facile adjustment of the behavior of dual cross-linked polymer-ionic liquid composites (PICs) for stretchable electronics was achieved <em>via</em> solution blending of two copolymers having the same monomer pairs. Two poly(docosyl acrylate-<em>r-tert</em>-butyl acrylate) (poly(A22-<em>r-t</em>BA)) copolymers with different molar ratios were synthesized and solution-cast with ionic liquids (ILs) to fabricate ternary PICs. The phase behavior and the thermal and structural properties of the composites were investigated by varying the mixing ratio, providing insights into the cross-linking mechanisms. The observed changes enabled systematic modulation of the stretchability, thermal stability, and self-healing capability of PICs, which are crucial attributes of wearable devices. Mechanically tough and conductive PICs were utilized in fabricating strain sensors capable of detecting human motion.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 36022-36030"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05968a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598727","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}
Avin Ramanjooloo, Devesh Bekah, Samson A. Adeyemi, Philemon Ubanako, Lindokuhle Ngema, Yahya E. Choonara, David E. Williams, Elena A. Polishchuk, Raymond J. Andersen and Archana Bhaw-Luximon
Gold nanoparticles (AuNPs) exhibit different physical properties compared to small molecules, bulk materials and other nanoparticles. Their synthesis using plant extracts, particularly polyflavonoids as phytoreductants, for the conversion of Au(III) into Au(0) has been reported. In this study, AuNPs were synthesized with extracts, sterols and pure compounds derived from marine sponges using gold(III) chloride trihydrate. Extracts, hexane (JDH) and ethyl acetate (JDE), sterols (JC-2) and jaspamide were obtained from Jaspis diastra. Pure compounds, namely, contignasterol, ansellone A, motuporamines A and MN100 (a synthetic analog of pelorol), were also used. JC-2 was characterized using NMR and GC-MS, and the major constituent was determined to be β-sitosterol. β-Sitosterol has shown great promise as an anti-cancer molecule, but its poor aqueous solubility and bioavailability coupled with low targeting efficacy limit its therapeutic efficacy. Transmission electron microscopy (TEM) images revealed the formation of spherical AuNPs conjugated with JDH, JDE, JC-2, ansellone and contignasterol with average diameters of 21.1 ± 3.0 nm, 20.7 ± 2.1 nm, 26.2 ± 1.2 nm, 33.3 ± 5.1 nm and 30.8 ± 5.5 nm, respectively. No particle formation was seen with motuporamines A and MN100. Zeta potential values indicated that AuNPs-JC-2 was more stable than AuNPs-JDE, AuNPs-JDH and AuNPs-ansellone. Based on IC50 values, the cytotoxicity of AuNPs-JDH increased in A172, TERA, HeLa and HepG2 cells but showed similar activity in HaCaT cells compared to JDH. The cytotoxicity of AuNPs-JDE decreased in A172 and HaCaT cells but increased in TERA1, HeLa and HepG2 cells compared to JDE. AuNPs-JC-2 showed enhanced cytotoxicity with a decrease in IC50 values from 3.37 ± 0.19 μg mL−1 to 0.52 ± 0.09 μg mL−1 in A172 and from 2.28 ± 0.20 μg mL−1 to 0.78 ± 0.28 μg mL−1 in TERA1 compared to JC-2. The synergistic action of sterols in AuNPs-JC-2 seemed to favour enhanced anti-cancer activity. The presence of sterols increased the ability of transforming Au(III) into Au(0) to form AuNPs and further enhancing cellular uptake and, thus, anti-cancer activity. AuNPs-contignasterol displayed lower activity than contignasterol in the A172 cell line. No significant difference in activity was observed with AuNPs-ansellone A in the A172 and HaCaT cell lines compared to ansellone A.
{"title":"Synthesis and in vitro assessment of gold nanoparticles conjugated with extracts, sterols and pure compounds derived from marine sponges from the Indian and Pacific Oceans†","authors":"Avin Ramanjooloo, Devesh Bekah, Samson A. Adeyemi, Philemon Ubanako, Lindokuhle Ngema, Yahya E. Choonara, David E. Williams, Elena A. Polishchuk, Raymond J. Andersen and Archana Bhaw-Luximon","doi":"10.1039/D4RA04068F","DOIUrl":"https://doi.org/10.1039/D4RA04068F","url":null,"abstract":"<p >Gold nanoparticles (AuNPs) exhibit different physical properties compared to small molecules, bulk materials and other nanoparticles. Their synthesis using plant extracts, particularly polyflavonoids as phytoreductants, for the conversion of Au(<small>III</small>) into Au(0) has been reported. In this study, AuNPs were synthesized with extracts, sterols and pure compounds derived from marine sponges using gold(<small>III</small>) chloride trihydrate. Extracts, hexane (JDH) and ethyl acetate (JDE), sterols (JC-2) and jaspamide were obtained from <em>Jaspis diastra</em>. Pure compounds, namely, contignasterol, ansellone A, motuporamines A and MN100 (a synthetic analog of pelorol), were also used. JC-2 was characterized using NMR and GC-MS, and the major constituent was determined to be β-sitosterol. β-Sitosterol has shown great promise as an anti-cancer molecule, but its poor aqueous solubility and bioavailability coupled with low targeting efficacy limit its therapeutic efficacy. Transmission electron microscopy (TEM) images revealed the formation of spherical AuNPs conjugated with JDH, JDE, JC-2, ansellone and contignasterol with average diameters of 21.1 ± 3.0 nm, 20.7 ± 2.1 nm, 26.2 ± 1.2 nm, 33.3 ± 5.1 nm and 30.8 ± 5.5 nm, respectively. No particle formation was seen with motuporamines A and MN100. Zeta potential values indicated that AuNPs-JC-2 was more stable than AuNPs-JDE, AuNPs-JDH and AuNPs-ansellone. Based on IC<small><sub>50</sub></small> values, the cytotoxicity of AuNPs-JDH increased in A172, TERA, HeLa and HepG2 cells but showed similar activity in HaCaT cells compared to JDH. The cytotoxicity of AuNPs-JDE decreased in A172 and HaCaT cells but increased in TERA1, HeLa and HepG2 cells compared to JDE. AuNPs-JC-2 showed enhanced cytotoxicity with a decrease in IC<small><sub>50</sub></small> values from 3.37 ± 0.19 μg mL<small><sup>−1</sup></small> to 0.52 ± 0.09 μg mL<small><sup>−1</sup></small> in A172 and from 2.28 ± 0.20 μg mL<small><sup>−1</sup></small> to 0.78 ± 0.28 μg mL<small><sup>−1</sup></small> in TERA1 compared to JC-2. The synergistic action of sterols in AuNPs-JC-2 seemed to favour enhanced anti-cancer activity. The presence of sterols increased the ability of transforming Au(<small>III</small>) into Au(0) to form AuNPs and further enhancing cellular uptake and, thus, anti-cancer activity. AuNPs-contignasterol displayed lower activity than contignasterol in the A172 cell line. No significant difference in activity was observed with AuNPs-ansellone A in the A172 and HaCaT cell lines compared to ansellone A.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 36115-36131"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04068f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598734","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}
Nguyen Thi Mai, Tran Dang Thanh, Do Hung Manh, Nguyen Thi Ngoc Anh, Ngo Thi Lan, Phung Thi Thu and Nguyen Thanh Tung
Con−1TMOn−2+ (n = 6–8), (TM = V, Cr, Mn, and Fe) clusters are investigated using density functional theory calculations. The transition metal atoms preferentially replace one Co atom at sites where the number of metal–oxygen bonds is maximized, forming more stable structures. The evaporation of a Co atom is the most fragile dissociation channel for both pure and doped species. Bare cobalt oxide clusters exhibit parallel spin ordering, whereas both parallel and antiparallel spin ordering are observed in the doped species. Notably, a ferromagnetic-to-ferrimagnetic transition occurs in the V-doped clusters, while the ferromagnetic behavior is enhanced in the Fe-doped species.
利用密度泛函理论计算研究了 Con-1TMOn-2+(n = 6-8)(TM = V、Cr、Mn 和 Fe)团簇。过渡金属原子优先在金属氧键数量最大的位置取代一个 Co 原子,从而形成更稳定的结构。对于纯钴和掺杂钴来说,一个钴原子的蒸发是最脆弱的解离通道。裸氧化钴团簇表现出平行自旋排序,而在掺杂物种中则观察到平行和反平行自旋排序。值得注意的是,掺杂 V 的氧化钴团簇发生了从铁磁性到铁磁性的转变,而掺杂 Fe 的氧化钴团簇则增强了铁磁性。
{"title":"Stability and magnetic properties of transition metal (V, Cr, Mn, and Fe) doped cobalt oxide clusters: a density functional theory investigation†","authors":"Nguyen Thi Mai, Tran Dang Thanh, Do Hung Manh, Nguyen Thi Ngoc Anh, Ngo Thi Lan, Phung Thi Thu and Nguyen Thanh Tung","doi":"10.1039/D4RA05482B","DOIUrl":"https://doi.org/10.1039/D4RA05482B","url":null,"abstract":"<p >Co<small><sub><em>n</em>−1</sub></small>TMO<small><sub><em>n</em>−2</sub></small><small><sup>+</sup></small> (<em>n</em> = 6–8), (TM = V, Cr, Mn, and Fe) clusters are investigated using density functional theory calculations. The transition metal atoms preferentially replace one Co atom at sites where the number of metal–oxygen bonds is maximized, forming more stable structures. The evaporation of a Co atom is the most fragile dissociation channel for both pure and doped species. Bare cobalt oxide clusters exhibit parallel spin ordering, whereas both parallel and antiparallel spin ordering are observed in the doped species. Notably, a ferromagnetic-to-ferrimagnetic transition occurs in the V-doped clusters, while the ferromagnetic behavior is enhanced in the Fe-doped species.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 36031-36039"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05482b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598728","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}
Marwa F. B. Ali, Baher I. Salman, Samiha A. Hussein and Mostafa A. Marzouq
Retraction of ‘Highly sensitive cadmium sulphide quantum dots as a fluorescent probe for estimation of doripenem in real human plasma: application to pharmacokinetic study’ by Marwa F. B. Ali et al., RSC Adv., 2020, 10, 44058–44065, https://doi.org/10.1039/D0RA07960J.
撤回 Marwa F. B. Ali 等人撰写的《高灵敏度硫化镉量子点作为荧光探针用于估算真实人体血浆中的多瑞培南:在药代动力学研究中的应用》,RSC Adv., 2020, 10, 44058-44065, https://doi.org/10.1039/D0RA07960J。
{"title":"Retraction: Highly sensitive cadmium sulphide quantum dots as a fluorescent probe for estimation of doripenem in real human plasma: application to pharmacokinetic study","authors":"Marwa F. B. Ali, Baher I. Salman, Samiha A. Hussein and Mostafa A. Marzouq","doi":"10.1039/D4RA90134G","DOIUrl":"https://doi.org/10.1039/D4RA90134G","url":null,"abstract":"<p >Retraction of ‘Highly sensitive cadmium sulphide quantum dots as a fluorescent probe for estimation of doripenem in real human plasma: application to pharmacokinetic study’ by Marwa F. B. Ali <em>et al.</em>, <em>RSC Adv.</em>, 2020, <strong>10</strong>, 44058–44065, https://doi.org/10.1039/D0RA07960J.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 35992-35992"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra90134g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598723","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}
Md Humayun Kabir, Md Yeasin Pabel, Nishat Tasnim Bristy, Md. Abdus Salam, Muhammad Shahriar Bashar and Sabina Yasmin
Improper disposal of used dry cell batteries and the leaching of bisphenol A (BPA), a prevalent endocrine disruptor present in food packaging, into surface water pose a significant threat to both the environment and drinking water, threatening the sustainability of the ecosystem. Thus, it is imperative to manage detrimental e-waste and regularly monitor BPA using a sensitive and reliable technique. This study proposes a cost-effective reduced graphene oxide/zinc oxide (rGO/ZnO) nanohybrid, entirely synthesized from electronic waste, for electrochemically detecting BPA in an aqueous medium. Graphite and metallic Zn precursors obtained from discarded batteries were employed to synthesize rGO/ZnO. The successful characterization of the prepared rGO and rGO/ZnO nanohybrid was conducted through different state-of-the-art techniques. An rGO/ZnO-modified glassy carbon electrode (GCE) exhibited superior conductivity and a larger surface area. Voltammetric study at the rGO/ZnO-modified GCE successfully detected BPA in an aqueous medium, demonstrating a one-electron and proton pathway for BPA oxidation. The sensor demonstrated a linear response within the concentration range of 1–30 μM, with a limit of detection of 0.98 nM and sensitivity of 0.055 μA μM−1. The developed electrode could also detect BPA in real water samples with reasonable recovery. These findings imply that the developed sensor has the potential to be a sensitive, practical, and economical monitoring system for BPA in water.
废旧干电池的不当处置以及食品包装中普遍存在的内分泌干扰物双酚 A (BPA) 向地表水的沥滤对环境和饮用水都构成了重大威胁,威胁着生态系统的可持续性。因此,当务之急是管理有害的电子垃圾,并采用灵敏可靠的技术定期监测双酚 A。本研究提出了一种具有成本效益的还原氧化石墨烯/氧化锌(rGO/ZnO)纳米杂化物,该杂化物完全由电子废弃物合成,可用于水介质中双酚 A 的电化学检测。利用从废弃电池中获得的石墨和金属锌前驱体合成了 rGO/ZnO。通过不同的先进技术,成功地表征了所制备的 rGO 和 rGO/ZnO 纳米杂化物。经 rGO/ZnO 改性的玻璃碳电极(GCE)表现出卓越的导电性和更大的表面积。在 rGO/ZnO 改性 GCE 上进行的伏安法研究成功地检测了水介质中的双酚 A,证明了双酚 A 氧化的单电子和质子途径。该传感器在 1-30 μM 的浓度范围内呈线性响应,检测限为 0.98 nM,灵敏度为 0.055 μA μM-1。所开发的电极还能检测真实水样中的双酚 A,且回收率合理。这些研究结果表明,所开发的传感器有望成为一种灵敏、实用且经济的水中双酚 A 监测系统。
{"title":"From e-waste to eco-sensors: synthesis of reduced graphene oxide/ZnO from discarded batteries for a rapid electrochemical bisphenol A sensor","authors":"Md Humayun Kabir, Md Yeasin Pabel, Nishat Tasnim Bristy, Md. Abdus Salam, Muhammad Shahriar Bashar and Sabina Yasmin","doi":"10.1039/D4RA04046E","DOIUrl":"https://doi.org/10.1039/D4RA04046E","url":null,"abstract":"<p >Improper disposal of used dry cell batteries and the leaching of bisphenol A (BPA), a prevalent endocrine disruptor present in food packaging, into surface water pose a significant threat to both the environment and drinking water, threatening the sustainability of the ecosystem. Thus, it is imperative to manage detrimental e-waste and regularly monitor BPA using a sensitive and reliable technique. This study proposes a cost-effective reduced graphene oxide/zinc oxide (rGO/ZnO) nanohybrid, entirely synthesized from electronic waste, for electrochemically detecting BPA in an aqueous medium. Graphite and metallic Zn precursors obtained from discarded batteries were employed to synthesize rGO/ZnO. The successful characterization of the prepared rGO and rGO/ZnO nanohybrid was conducted through different state-of-the-art techniques. An rGO/ZnO-modified glassy carbon electrode (GCE) exhibited superior conductivity and a larger surface area. Voltammetric study at the rGO/ZnO-modified GCE successfully detected BPA in an aqueous medium, demonstrating a one-electron and proton pathway for BPA oxidation. The sensor demonstrated a linear response within the concentration range of 1–30 μM, with a limit of detection of 0.98 nM and sensitivity of 0.055 μA μM<small><sup>−1</sup></small>. The developed electrode could also detect BPA in real water samples with reasonable recovery. These findings imply that the developed sensor has the potential to be a sensitive, practical, and economical monitoring system for BPA in water.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 48","pages":" 36073-36083"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04046e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598730","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}
Yanawut Manmana, Mirek Macka and Nantana Nuchtavorn
Distance-based detection (DbD) on paper-based microfluidic analytical devices (μPADs) has emerged as a promising, cost-effective, simple, and instrumentation-free assay method. Broadening the applicability of a new way of immobilization of reagent for DbD on μPADs (DμPADs) is presented, employing an ion exchange (IE) interaction of an anionic metallochromic reagent, 2-(5-bromo-2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol (5-Br-PAPS), on the anion-exchange filter paper. The IE DμPADs demonstrate superiority over standard cellulose filter paper in terms of the degree of reagent immobilization, detection sensitivity, and clear detection endpoints due to the strong retention of 5-Br-PAPS. The study investigated various parameters influencing DbD, including 5-Br-PAPS concentrations (0.25–1 mM), buffer types (acetic acid–Tris, MES), buffer concentrations (20–500 mM), and auxiliary complexing agents (acetic, formic, and glycolic acids). Subsequently, the performance of 17 metals (Ag+, Cd2+, Co2+, Cr3+, Cu2+, Fe2+, Hg2+, La2+, Mn2+, Ni2+, Pb2+, Ti2+, Zn2+, Al3+, As3+, Fe3+, and V4+) was evaluated, with color formation observed for 12 metals. Additionally, the paper surface was examined using SEM and SEM-EDX to verify the suitability of certain areas in the detection channel for reagent immobilization and metal binding. This method demonstrates quantitation limits of metals in the low μg mL−1 range, showing great potential for the rapid screening of toxic metals commonly found in herbal supplements and cosmetics regulated by the Food and Drug Administration (FDA). Thus, it holds promise for enhancing safety and regulatory compliance in product quality assessment. Furthermore, this method offers a cost-effective, environmentally sustainable, and user-friendly approach for the rapid visual quantification of heavy metals for in-field analysis, eliminating the need for complex instrumentation.
{"title":"Distance-based paper microfluidic devices for rapid visual quantification of heavy metals in herbal supplements and cosmetics†","authors":"Yanawut Manmana, Mirek Macka and Nantana Nuchtavorn","doi":"10.1039/D4RA05358C","DOIUrl":"https://doi.org/10.1039/D4RA05358C","url":null,"abstract":"<p >Distance-based detection (DbD) on paper-based microfluidic analytical devices (μPADs) has emerged as a promising, cost-effective, simple, and instrumentation-free assay method. Broadening the applicability of a new way of immobilization of reagent for DbD on μPADs (DμPADs) is presented, employing an ion exchange (IE) interaction of an anionic metallochromic reagent, 2-(5-bromo-2-pyridylazo)-5-[<em>N-n</em>-propyl-<em>N</em>-(3-sulfopropyl)amino]phenol (5-Br-PAPS), on the anion-exchange filter paper. The IE DμPADs demonstrate superiority over standard cellulose filter paper in terms of the degree of reagent immobilization, detection sensitivity, and clear detection endpoints due to the strong retention of 5-Br-PAPS. The study investigated various parameters influencing DbD, including 5-Br-PAPS concentrations (0.25–1 mM), buffer types (acetic acid–Tris, MES), buffer concentrations (20–500 mM), and auxiliary complexing agents (acetic, formic, and glycolic acids). Subsequently, the performance of 17 metals (Ag<small><sup>+</sup></small>, Cd<small><sup>2+</sup></small>, Co<small><sup>2+</sup></small>, Cr<small><sup>3+</sup></small>, Cu<small><sup>2+</sup></small>, Fe<small><sup>2+</sup></small>, Hg<small><sup>2+</sup></small>, La<small><sup>2+</sup></small>, Mn<small><sup>2+</sup></small>, Ni<small><sup>2+</sup></small>, Pb<small><sup>2+</sup></small>, Ti<small><sup>2+</sup></small>, Zn<small><sup>2+</sup></small>, Al<small><sup>3+</sup></small>, As<small><sup>3+</sup></small>, Fe<small><sup>3+</sup></small>, and V<small><sup>4+</sup></small>) was evaluated, with color formation observed for 12 metals. Additionally, the paper surface was examined using SEM and SEM-EDX to verify the suitability of certain areas in the detection channel for reagent immobilization and metal binding. This method demonstrates quantitation limits of metals in the low μg mL<small><sup>−1</sup></small> range, showing great potential for the rapid screening of toxic metals commonly found in herbal supplements and cosmetics regulated by the Food and Drug Administration (FDA). Thus, it holds promise for enhancing safety and regulatory compliance in product quality assessment. Furthermore, this method offers a cost-effective, environmentally sustainable, and user-friendly approach for the rapid visual quantification of heavy metals for in-field analysis, eliminating the need for complex instrumentation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 49","pages":" 36142-36151"},"PeriodicalIF":3.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra05358c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598742","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}