RSC Advances最新文献

筛选
英文 中文
Adsorption/photodegradation of methylene blue using a sulfur-1,3-diisopropenylbenzene copolymer†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01297J
Moyan Wu, Yue Liu, Lili Wu, Tom Hasell and Fang Luan
{"title":"Adsorption/photodegradation of methylene blue using a sulfur-1,3-diisopropenylbenzene copolymer†","authors":"Moyan Wu, Yue Liu, Lili Wu, Tom Hasell and Fang Luan","doi":"10.1039/D5RA01297J","DOIUrl":"https://doi.org/10.1039/D5RA01297J","url":null,"abstract":"<p >This study aims to utilize sulfur-1,3-diisopropenylbenzene (S-DIB) to develop a more cost-effective treatment method for dye-contaminated wastewater. The behavior and mechanisms of adsorption and photodegradation on the removal of methylene blue (MB) by S-DIB in water were studied systematically, including three isotherm model fitting tests, kinetics and thermodynamic analysis. With the optimization of the adsorption experimental conditions, the results revealed that S-DIB achieved a 96.53% removal percentage of MB at pH 11, initial dye concentration of 8 mg L<small><sup>−1</sup></small>, adsorbent dose of 20 mg, temperature of 293 K and contact time of 180 min. The adsorption data fitted well with the Langmuir isotherm and pseudo-second order models, with regression coefficients (<em>R</em><small><sup>2</sup></small>) of 0.9990 and 0.9993, respectively. Thermodynamic studies showed that the adsorption of MB by S-DIB was exothermic and spontaneous. Furthermore, S-DIB exhibited a unique photodegradation property in visible light regions with the removal of MB from water, offering a dual mechanism of adsorption and photodegradation, with a degradation efficiency is 94%. This work enhances the possibilities and potential for the application of sulfur-rich copolymers in wastewater treatments.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13225-13234"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01297j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871138","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}
引用次数: 0
Recovery of cellulose nanocrystal from mixed office wastepaper and the development of bio-based coating matrixes with enhanced water, gas, oil, and grease resistances for packaging
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01516B
Anik Baral, Niloy Roy Kerjee, Nazia Afrin Jashi, Md. Ismail Hossen Emon, Munmun Basak, Md. Mostafizur Rahman, A. F. M. Mustafizur Rahman, Mohammed Mizanur Rahman, Lokendra Pal, Mohammad Shahruzzaman and Khandoker Samaher Salem
{"title":"Recovery of cellulose nanocrystal from mixed office wastepaper and the development of bio-based coating matrixes with enhanced water, gas, oil, and grease resistances for packaging","authors":"Anik Baral, Niloy Roy Kerjee, Nazia Afrin Jashi, Md. Ismail Hossen Emon, Munmun Basak, Md. Mostafizur Rahman, A. F. M. Mustafizur Rahman, Mohammed Mizanur Rahman, Lokendra Pal, Mohammad Shahruzzaman and Khandoker Samaher Salem","doi":"10.1039/D5RA01516B","DOIUrl":"https://doi.org/10.1039/D5RA01516B","url":null,"abstract":"<p >This study on sustainable nanocellulose modifications for various packaging applications is driven by the global social awareness and growing demand for bioproducts to reduce the use of single-use plastics. Mixed office waste (MOW) was used as the raw material to extract cellulose nanocrystals (CNCs) <em>via</em> the acid hydrolysis method. The average length and diameter of the CNCs were approximately 104.08 ± 0.1 nm and 9.49 ± 0.3 nm, respectively. The crystallinity index was 87%, as confirmed using transmission electron microscopy and X-ray diffraction analysis. Coating solutions of varying concentrations were prepared by mixing CNCs with collagen hydrolysate and glycerin, and the coatings were applied to the surface of uncoated paper <em>via</em> a rod coating process. FTIR spectra confirmed the presence of CNCs in the coated paper. High-resolution FE-SEM images provided detailed information on the surface morphology of the coated papers. The barrier and mechanical performances of the coated paper were evaluated using the oil and grease resistance KIT, hot oil, water vapor permeability, air permeability, water contact angle, tensile index, burst index, percentage of elongation, and fold tests. All the coated paper samples passed the hot oil test and exhibited the highest KIT rating. The water vapor and air resistance values of the coated paper samples increased 14 times and 250 times, respectively, compared with the uncoated paper samples. The water contact angle of the coated paper samples increased to 99.40° from 60.13°, and the surface roughness decreased from 2.37 μm to 0.85 μm. The presence of coating also increased the tensile and burst indices by 5.28 times and 1.79 times, respectively, compared with the uncoated paper samples. No cytotoxic effects were found in the optimized coated paper, and all the samples were fully degraded within 49 days, as confirmed using the soil biodegradability test. Therefore, the coated paper can be a potential alternative to existing single-use plastics for packaging materials.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13188-13198"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01516b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871141","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}
引用次数: 0
Synthesis of fungal polysaccharide-based nanoemulsions for cancer treatment
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01349F
Archna Dhasmana, Pooja Dobhal, Abhilekh Sati, Ayushi Santhanam, Subham Preetam, Sumira Malik, Nupur Joshi, Sarvesh Rustagi and Ravi K. Deshwal
{"title":"Synthesis of fungal polysaccharide-based nanoemulsions for cancer treatment","authors":"Archna Dhasmana, Pooja Dobhal, Abhilekh Sati, Ayushi Santhanam, Subham Preetam, Sumira Malik, Nupur Joshi, Sarvesh Rustagi and Ravi K. Deshwal","doi":"10.1039/D5RA01349F","DOIUrl":"https://doi.org/10.1039/D5RA01349F","url":null,"abstract":"<p >Long valued for their therapeutic qualities, shiitake mushrooms (<em>Lentinula edodes</em>) are a staple of traditional Asian medicine and cuisine. They are high in bio-actives such as polysaccharides, proteins, lipids, vitamins, minerals, sterols, and phenolic compounds, which exhibit immunomodulatory, anticancer, antibacterial, anti-inflammatory, and anti-oxidant properties. Despite these advantages, the limited bioavailability and stability of shiitake's bio-active components often restrict their therapeutic use. Recent advances in nanotechnology have led to the development of nanoemulsions to encapsulate bioactives, which enhanced their bioavailability, stability, and therapeutic efficacy. In this study, we developed a biopolymeric blend of zein and chitosan as a nanoemulsion for the encapsulation of crude shiitake extract. Focusing on the synthesis and refinement of bio-compatible nanoemulsion formulations, this study investigates the medicinal potential of shiitake mushrooms and their nanoemulsions using several <em>in vitro</em> assays: the DPPH assay for anti-oxidant activity; the BSA denaturation assay for anti-inflammatory activity; the MIC test for antimicrobial activity; and the MTT assay for anticancer activity. This study aimed to attain three main goals: synthesis of nanoemulsions, biochemical analysis of shiitake extracts, and <em>in vitro</em> characterization of the therapeutic efficacy of the resulting formulations. This study found that shiitake nanoemulsions showed significantly improved bio-availability and therapeutic efficacy, suggesting promising applications in pharmaceuticals, nutraceuticals, cosmetics, medicine, and the food industry.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13300-13312"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01349f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871143","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}
引用次数: 0
Effective PVC-PVA@Chitosan quantum dot membrane for sustainable water purification 用于可持续水净化的高效 PVC-PVA@ 壳聚糖量子点膜
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01541C
Mahmoud F. Mubarak, Eman O. Taha, Omnia H. Abdelraheem and Heba M. El Sharkawy
{"title":"Effective PVC-PVA@Chitosan quantum dot membrane for sustainable water purification","authors":"Mahmoud F. Mubarak, Eman O. Taha, Omnia H. Abdelraheem and Heba M. El Sharkawy","doi":"10.1039/D5RA01541C","DOIUrl":"https://doi.org/10.1039/D5RA01541C","url":null,"abstract":"<p >This work introduces a novel synergistic approach for enhanced scale formation inhibition in desalination processes by employing a PVC-PVA@Chitosan Quantum Dot (PVA-PVC@CS QD) membrane, advancing sustainable water purification technologies further. The membrane's unique composition surpasses conventional membranes by fusing the exceptional properties of chitosan quantum dots with the robustness of polyvinyl alcohol (PVA) and polyvinyl chloride (PVC). The study investigates the mechanical, thermal, and electrical properties of the membrane in order to completely understand its behavior in desalination applications, as well as how well it inhibits the formation of scale, particularly calcite scale. In water purification systems, the membrane's durability and fouling resistance, which are assessed mechanically, are critical to long-term performance. Ion transport is facilitated by the membrane's capacity to maintain selectivity and its ability to support efficient desalination processes is assessed by examining its electrical properties. Experimental results demonstrate that the PVA-PVC@CS QD membrane outperforms conventional membranes in terms of scale inhibition due to the synergistic interactions among its constituents.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13323-13336"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01541c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871136","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}
引用次数: 0
Synthesis, molecular docking, and biological investigations of new pyrazolone chalcones†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01233C
Ahmed A. Noser, Maha M. Salem, Esraa M. ElSafty, Mohamed H. Baren, Adel I. Selim and Hamada S. A. Mandour
{"title":"Synthesis, molecular docking, and biological investigations of new pyrazolone chalcones†","authors":"Ahmed A. Noser, Maha M. Salem, Esraa M. ElSafty, Mohamed H. Baren, Adel I. Selim and Hamada S. A. Mandour","doi":"10.1039/D5RA01233C","DOIUrl":"https://doi.org/10.1039/D5RA01233C","url":null,"abstract":"<p >Heterocyclic compounds are essential to the drug development and discovery processes. Herein, we synthesized new pyrazolone chalcones (<strong>3a–g</strong>) through the reaction of azopyrazolone (<strong>2</strong>) with different aromatic aldehydes in a basic medium. Numerous techniques including elemental analysis, <small><sup>1</sup></small>H-NMR, <small><sup>13</sup></small>C-NMR, and FT-IR spectroscopies, were used to characterize pyrazolone chalcone derivatives. Compound <strong>3b</strong> exhibited the highest binding energy towards YAP/TEAD protein with a value of −8.45 kcal mol<small><sup>−1</sup></small> in <em>in silico</em> studies. This observation suggested that compound <strong>3b</strong> inhibits the YAP/TEAD Hippo signaling pathway. In addition, compound <strong>3b</strong> offered a prospective anticancer effect against various cancer cell lines, such as HepG-2, MCF-7, and HCT-116, among the other synthesized compounds, with IC<small><sub>50</sub></small> values equal to 5.03 ± 0.4, 3.92 ± 0.2, and 6.34 ± 0.5 μM, respectively. These results validated our findings regarding the <em>in silico</em> suppression of the YAP/TEAD protein. Its pharmacokinetic properties were theoretically observed using ADMET. Additionally, compound <strong>3b</strong> demonstrated a potent antioxidant scavenging action (<em>in vitro</em>) against DPPH free radicals. Thus, based on our findings, compound <strong>3b</strong> may act as a potential anticancer scaffold owing to its inhibitory impact towards the YAP/TEAD-mediated Hippo signaling pathway with a safe toxic profile on normal cells.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13214-13224"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01233c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871115","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}
引用次数: 0
Preparation of a Z-scheme BiVO4/Cu2O/PPy heterojunction and studying its CO2 reducing properties†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D4RA08130G
Hengxin Ren, Xinyu Sun, Tong Li, Zhixin Ren, Chaoyu Song, Yuguang Lv and Ying Wang
{"title":"Preparation of a Z-scheme BiVO4/Cu2O/PPy heterojunction and studying its CO2 reducing properties†","authors":"Hengxin Ren, Xinyu Sun, Tong Li, Zhixin Ren, Chaoyu Song, Yuguang Lv and Ying Wang","doi":"10.1039/D4RA08130G","DOIUrl":"https://doi.org/10.1039/D4RA08130G","url":null,"abstract":"<p >Herein, a new Z-scheme BiVO<small><sub>4</sub></small>/Cu<small><sub>2</sub></small>O/PPy heterostructure photocatalyst was developed with bismuth nitrate and ammonium vanadate as the precursors and sodium dodecyl benzyl sulfonate as the soft template. Through the spatial confinement effect of the sodium dodecyl benzyl sulfonate soft template, peanut-like BiVO<small><sub>4</sub></small> and the BiVO<small><sub>4</sub></small>/Cu<small><sub>2</sub></small>O/PPy heterojunction were synthesized. The best performance was observed for BiVO<small><sub>4</sub></small>/Cu<small><sub>2</sub></small>O/PPy (5%), and its photodegradation rate was 6.57 times higher than that of pure BiVO<small><sub>4</sub></small>. The mechanism study showed that a light hole (h<small><sup>+</sup></small>), superoxide radical (·O<small><sub>2</sub></small><small><sup>−</sup></small>), and hydroxyl radical (·OH) participated in the CO<small><sub>2</sub></small> reduction process, which was different from the pure BiVO<small><sub>4</sub></small> reaction system. Therefore, the proposed approach provides a new method for applying BiVO<small><sub>4</sub></small>/Cu<small><sub>2</sub></small>O/PPy photocatalysts and developing the same type of heterojunction photocatalyst, and they have effective practical application for environmental remediation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13313-13322"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08130g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871114","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}
引用次数: 0
In vitro and in silico analysis of synthesized N-benzyl indole-derived hydrazones as potential anti-triple negative breast cancer agents†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA02194D
Urva Farooq, Faizullah Khan, Suraj N. Mali, Uzma Ghaffar, Javid Hussain, Ajmal Khan, Somdatta Y. Chaudhari, Hind A. AL-Shwaiman, Abdallah M. Elgorban, Rahul D. Jawarkar, Waseem Ul Islam, Ahmed Al-Harrasi and Zahid Shafiq
{"title":"In vitro and in silico analysis of synthesized N-benzyl indole-derived hydrazones as potential anti-triple negative breast cancer agents†","authors":"Urva Farooq, Faizullah Khan, Suraj N. Mali, Uzma Ghaffar, Javid Hussain, Ajmal Khan, Somdatta Y. Chaudhari, Hind A. AL-Shwaiman, Abdallah M. Elgorban, Rahul D. Jawarkar, Waseem Ul Islam, Ahmed Al-Harrasi and Zahid Shafiq","doi":"10.1039/D5RA02194D","DOIUrl":"https://doi.org/10.1039/D5RA02194D","url":null,"abstract":"<p >Triple-negative breast cancer (TNBC) is one of the most aggressive forms of breast cancer, and it is characterized by a high recurrence rate and the rapid development of drug resistance across various subtypes. Currently, there is no targeted therapy, which is specifically approved for the treatment of TNBC. In this study, we synthesized a series of <em>N</em>-benzyl indole-3-carboxaldehyde-based hydrazones and subjected them to <em>in vitro</em> anticancer studies on MCF-10A and MDA-MB-231 breast cancer (BC) cell lines. Our <em>in vitro</em> results suggested that all the compounds exhibited significant anti-TNBC activity, especially on MDA-MB-231 cells. Compound <strong>5b</strong> showed excellent activity on MDA-MB-231 (IC<small><sub>50</sub></small> = 17.2 ± 0.4 nM). Furthermore, molecular docking analysis revealed that this compound had a higher binding affinity towards the target EGFR (epidermal growth factor receptor) with a docking score of −10.523 kcal mol<small><sup>−1</sup></small>. The molecular dynamics simulation of complex <strong>5b</strong>:3W2S showed stable binding over a period of 100 ns. A detailed multi-linear regression (MLR) QSAR denoted the importance of key molecular descriptors, such as com_accminus_2A, fringNlipo6A, and sp<small><sup>3</sup></small>Cplus_AbSA. These analyses indicate that the synthesized compounds deserve further studies for developing novel and more potent candidates against triple-negative breast cancer.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13284-13299"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02194d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871142","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}
引用次数: 0
Resistive nanostructured W18O49 gas sensors: an overview
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01197C
M. Hjiri, I. Najeh, Fatemah M. Barakat and G. Neri
{"title":"Resistive nanostructured W18O49 gas sensors: an overview","authors":"M. Hjiri, I. Najeh, Fatemah M. Barakat and G. Neri","doi":"10.1039/D5RA01197C","DOIUrl":"https://doi.org/10.1039/D5RA01197C","url":null,"abstract":"<p >The detection of toxic gases by resistive gas sensors, which are mainly fabricated using semiconducting metal oxides, is of importance from a safety point of view. These sensors have outstanding electrical and sensing properties as well as are inexpensive. W<small><sub>18</sub></small>O<small><sub>49</sub></small> (WO<small><sub>2.72</sub></small>), which is a non-stoichiometric tungsten oxide, possesses abundant oxygen vacancies, which are beneficial for the adsorption of oxygen gas molecules and act as sites for sensing reactions. Thus, through the rational design of W<small><sub>18</sub></small>O<small><sub>49</sub></small>-based gas sensors using strategies such as morphology engineering, doping, decoration, formation of composites or their combination, the fabrication of high-performance W<small><sub>18</sub></small>O<small><sub>49</sub></small> gas sensors is feasible. Herein, we present the gas-sensing features of pristine W<small><sub>18</sub></small>O<small><sub>49</sub></small>, doped W<small><sub>18</sub></small>O<small><sub>49</sub></small>, decorated W<small><sub>18</sub></small>O<small><sub>49</sub></small> and composite-based W<small><sub>18</sub></small>O<small><sub>49</sub></small> sensors. Moreover, focusing on the sensing mechanism of W<small><sub>18</sub></small>O<small><sub>49</sub></small> sensors, this review provides an in-depth understanding on the working principles of the sensing of toxic gases using W<small><sub>18</sub></small>O<small><sub>49</sub></small>.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13370-13396"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01197c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875276","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}
引用次数: 0
Unraveling the conglomeratic nature of methanol clusters adsorbed on graphene surfaces. Insights from molecular dynamics simulations†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA02122G
Juan García de la Concepción, Izaskun Jiménez-Serra, Ibon Alkorta, José Elguero and Pedro Cintas
{"title":"Unraveling the conglomeratic nature of methanol clusters adsorbed on graphene surfaces. Insights from molecular dynamics simulations†","authors":"Juan García de la Concepción, Izaskun Jiménez-Serra, Ibon Alkorta, José Elguero and Pedro Cintas","doi":"10.1039/D5RA02122G","DOIUrl":"https://doi.org/10.1039/D5RA02122G","url":null,"abstract":"<p >The expression of chirality in adsorption phenomena constitutes an important topic, not only relevant to asymmetric transformations involving solid surfaces, but also to the emergence of homochirality in both terrestrial and extraterrestrial scenarios. Methanol (MeOH) aggregation on graphite/graphene, one of the most idealized adsorbate–adsorbent systems, leads to islands of cyclic clusters of different sizes (<em>Nano Lett.</em>, 2016, <strong>16</strong>, 3142–3147). Here, we show that this aggregation occurs enantioselectively affording 2D conglomerates depending on the size of clusters, in close analogy to a Pasteurian racemate. Homochiral sequences are held together by hydrogen bonding and other non-covalent interactions, whose absolute configurations can be appropriately specified. A discussion involving the dichotomy between 2D racemates and conglomerates, is offered as well. In addition, the present simulations showcase a broad range of acyclic and cyclic structures, even if some discrete rings are the dominant species, in agreement with previous experimental data and theoretical modeling. Our results indicate that MeOH clusters show binding energies close to the experimental values, remaining intact at temperatures as high as 120 K and up to 150 K.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 16","pages":" 12246-12254"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02122g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871137","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}
引用次数: 0
Layered double hydroxide based composite core–shell electrospun nanofibers for lead and fluoride filtration from contaminated streams†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-25 DOI: 10.1039/D5RA01144B
Manu Sharma, Rushabh Murali, Karthik K., Keerthi P. and Somak Chatterjee
{"title":"Layered double hydroxide based composite core–shell electrospun nanofibers for lead and fluoride filtration from contaminated streams†","authors":"Manu Sharma, Rushabh Murali, Karthik K., Keerthi P. and Somak Chatterjee","doi":"10.1039/D5RA01144B","DOIUrl":"https://doi.org/10.1039/D5RA01144B","url":null,"abstract":"<p >Coaxial electrospinning was used to synthesize polyacrylonitrile–polyethersulfone (PAN–PES) core–shell nanofibers with magnesium–aluminum layered double hydroxide (Mg–Al LDH) for filtration of lead and fluoride from contaminated streams. Fiber geometry was characterized at a 0.5 mL h<small><sup>−1</sup></small> flow rate for the core polymer (PES/LDH) and 0.8 mL h<small><sup>−1</sup></small> flow rate for the shell polymer (PAN), with a potential of 23 kV and a distance of 15–17 cm between the collector and the needle head. A homogeneous fiber shape was achieved using an optimal LDH concentration of 0.7%. The prepared nanofibers served as an ultrafiltration membrane with a permeability of 5 × 10<small><sup>−12</sup></small> m s<small><sup>−1</sup></small> Pa<small><sup>−1</sup></small>. The uptake capacity of the produced nanofibers for fluoride and lead was estimated to be 948 mg g<small><sup>−1</sup></small> and 196 mg g<small><sup>−1</sup></small>, respectively at 298 K as per Langmuir's isotherm model. These fibers exhibited hydrophilic properties and possessed a significant level of porosity. XPS study revealed binding energies of 139.3 eV and 685.2 eV, indicating lead and fluoride uptake by the nanofibers. Ether, sulfone, hydroxyl and nitrile groups found in the nanofibers' shell and core most likely contributed to the lead and fluoride uptake. This facilitated the uptake of both ions on the surface of the nanofibers. In terms of the inhibition effect, fluoride had a stronger masking effect compared with lead in a multicomponent solution (consisting of lead and fluoride). Dynamic vacuum filtration was also investigated using the prepared nanofibers in artificial and real-life feed solutions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13337-13352"},"PeriodicalIF":3.9,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01144b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875279","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}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信