The Royal Society of Chemistry最新文献

筛选
英文 中文
Investigating Li2Mg2(WO4)3: structure, morphology, and electrical properties with ultra-low dielectric loss for optimizing laser host materials
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D4RA08888C
Mehdi Akermi, Ines Mbarek, Rym Hassani, Saber Nasri and Abderrazek Oueslati
{"title":"Investigating Li2Mg2(WO4)3: structure, morphology, and electrical properties with ultra-low dielectric loss for optimizing laser host materials","authors":"Mehdi Akermi, Ines Mbarek, Rym Hassani, Saber Nasri and Abderrazek Oueslati","doi":"10.1039/D4RA08888C","DOIUrl":"https://doi.org/10.1039/D4RA08888C","url":null,"abstract":"<p >With technological advancements driving the demand for innovative materials, triple tungstate compounds, like Li<small><sub>2</sub></small>Mg<small><sub>2</sub></small>(WO<small><sub>4</sub></small>)<small><sub>3</sub></small> (LMWO), offer exceptional properties for optoelectronic technologies. To investigate these potential outcomes, the LMWO compound was prepared <em>via</em> the solid-state reaction approach. The X-ray diffraction analysis revealed a single-phase material crystallizing in the orthorhombic structure, belonging to the <em>Pnma</em> space group. The crystallite size of the material was determined to be 58.32 nm, which played a significant role in enhancing its electrical performance. Scanning electron microscopy (SEM) revealed prismatic or rod-shaped particles with an average grain size of approximately 2.83 μm. Additionally, EDX confirmed the elemental composition, verifying the presence of Mg, W, and O, and ensuring the material's purity. Nyquist plots indicated non-Debye type relaxation, and further analysis of the relaxation frequency confirmed long-range motion of charge carriers. The temperature dependence of dielectric relaxation followed the Arrhenius law, yielding an activation energy of 0.84 eV. The frequency dependent behavior of <em>M</em>′′ and <em>Z</em>′′ at various temperatures indicated a shift from short-range to long-range mobility of charge carriers. The conductivity of the material increased with both temperature and frequency, demonstrating its semiconducting behavior. The temperature dependence of Jonscher's exponent suggests that conduction follows the non-overlapping small polaron tunneling (NSPT) model. This compound exhibited a high dielectric constant (<em>ε</em> ∼ 10<small><sup>5</sup></small>) and low dielectric loss at high frequencies, making it promising for applications in laser host materials and energy storage.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13064-13075"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08888c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861087","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
Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D5RA00684H
Pooja Das, Soumi Halder, Partha Pratim Ray, Narayan Ch. Jana, Priyanka Sahu, Anvarhusein A. Isab, Rambabu Dandela, Ramalingam Natarajan and Joydev Dinda
{"title":"Single step site-selective reaction to construct a Ag2Au2 ← Ag4 supramolecular assembly from hybrid N-heterocyclic carbene (NHC): synthesis, structures and optoelectronic properties†","authors":"Pooja Das, Soumi Halder, Partha Pratim Ray, Narayan Ch. Jana, Priyanka Sahu, Anvarhusein A. Isab, Rambabu Dandela, Ramalingam Natarajan and Joydev Dinda","doi":"10.1039/D5RA00684H","DOIUrl":"https://doi.org/10.1039/D5RA00684H","url":null,"abstract":"<p >Two supramolecular complex assemblies, [Ag<small><sub>4</sub></small>(<strong>1</strong>)<small><sub>2</sub></small>][PF<small><sub>6</sub></small>]<small><sub>4</sub></small>·4MeCN <strong>2</strong> and Ag(<small>I</small>)–Au(<small>I</small>) mixed metal complex [Ag<small><sub>2</sub></small>Au<small><sub>2</sub></small>(<strong>1</strong>)<small><sub>2</sub></small>][PF<small><sub>6</sub></small>]<small><sub>4</sub></small>·4MeCN <strong>3</strong>, have been prepared from 3-(pyridylmethyl)imidazo[1,5-<em>a</em>]pyridin-4-ylium hexafluorophosphate (<strong>1</strong> HPF<small><sub>6</sub></small>), which is the precursor of N-heterocyclic carbene (NHC). These complexes were subsequently analyzed using various spectroscopic techniques to confirm their structural and chemical properties. Transmetallation of Au(<small>I</small>) onto the Ag<small><sub>4</sub></small> macrocycle results in the formation of an Ag<small><sub>2</sub></small>Au<small><sub>2</sub></small> macrocyclic assembly. Au(<small>I</small>) selectively binds with the soft donor C<small><sub>carbene</sub></small>, whereas Ag(<small>I</small>) binds with comparatively hard donor N<small><sub>py</sub></small> (py = pyridine). The geometries of <strong>2</strong> and <strong>3</strong> were established by single-crystal X-ray diffraction studies. Both molecules form a 2D network through M–M and several non-covalent interactions. Electrical conductivity measurements revealed that Ag(<small>I</small>) complex <strong>2</strong> is better conductor than Au(<small>I</small>) complex <strong>3</strong>. Optoelectronic studies revealed the utility of complexes <strong>2</strong> and <strong>3</strong> as photovoltaic devices. Furthermore, MS-junction potential measurements show that they are suitable for semiconductor devices, with complex <strong>2</strong> being more efficient than complex <strong>3</strong>. Finally, in this study, we aimed to explore the scope of (i) the development of heterobimetallic supramolecular organometallic complexes (SOC), (ii) the charge transport behaviour of SOCs, and (iii) the modification of intrinsically conductive SOCs-based electronics.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13086-13094"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00684h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865365","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
Coumarin–naphthalene conjugate for rapid optical detection of OCl− and Y3+ in a cascade manner: combined experimental and theoretical studies†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D5RA00689A
T. Shyam, N. Jahan and D. Das
{"title":"Coumarin–naphthalene conjugate for rapid optical detection of OCl− and Y3+ in a cascade manner: combined experimental and theoretical studies†","authors":"T. Shyam, N. Jahan and D. Das","doi":"10.1039/D5RA00689A","DOIUrl":"https://doi.org/10.1039/D5RA00689A","url":null,"abstract":"<p >The coumarin–naphthalene conjugate (<strong>A3</strong>), an ESIPT-active probe, selectively recognized OCl<small><sup>−</sup></small> in a ratiometric manner in DMSO–water media. The recognition was associated with sky-blue emission (under UV light) as well as yellow emission (under visible light). The OCl<small><sup>−</sup></small> assisted inhibition of the ESIPT process <em>via</em> H-bonding resulted in an intense emission at 484 nm (<em>λ</em><small><sub>ex</sub></small> = 365 nm). It allowed for the detection of OCl<small><sup>−</sup></small> as low as 18.42 nM with a strong association constant, <em>K</em> = 1.08 × 10<small><sup>5</sup></small> M<small><sup>−1</sup></small>, around physiological pH. Furthermore, the <strong>A3</strong>-OCl<small><sup>−</sup></small> adduct (<strong>Ad1</strong>) ratiometrically detected Y<small><sup>3+</sup></small> <em>via</em> bright orange emission at 556 nm (<em>λ</em><small><sub>ex</sub></small> = 440 nm) under both UV and visible light. Detection up to 98.51 nM was achieved with a binding constant, <em>K</em> = 1.38 × 10<small><sup>5</sup></small> M<small><sup>−1</sup></small>, at physiological pH. Density functional theory (DFT) and lifetime decay measurements substantiated the interactions. Real sample analysis were also achieved with the developed method.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13111-13118"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00689a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865364","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
Applicability of NMR spectroscopy to quantify microplastics across varying concentrations in polymer mixtures†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D5RA01174D
Julia Schmidt, Marte Haave and Wei Wang
{"title":"Applicability of NMR spectroscopy to quantify microplastics across varying concentrations in polymer mixtures†","authors":"Julia Schmidt, Marte Haave and Wei Wang","doi":"10.1039/D5RA01174D","DOIUrl":"https://doi.org/10.1039/D5RA01174D","url":null,"abstract":"<p >Quantitative nuclear magnetic resonance (qNMR) spectroscopy could potentially be used for environmental microplastic analyses, provided the challenges posed by mixed polymer samples with varying concentrations and overlapping signals are understood. This study investigates the feasibility of qNMR as a reliable and cost-efficient method for quantifying synthetic polymers in mixtures of low and varying concentrations, addressing key challenges and limitations. Polymer mixtures were analysed using deuterated chloroform (CDCl<small><sub>3</sub></small>) and deuterated tetrahydrofuran (THF-d<small><sub>8</sub></small>) as solvents, with polystyrene (PS), polybutadiene-cis (PB), polyisoprene-cis (PI), polyvinyl chloride (PVC), polyurethane (PU), and polylactic acid (PLA) as selected polymers. Mixtures contained either low and high concentrations of each polymer or equal concentrations of all six polymers. Polymer concentrations were measured using the internal standard method. The method showed low relative errors for low concentrations of PS in CDCl<small><sub>3</sub></small> and PVC in THF-d<small><sub>8</sub></small>, with values of −5% and 0%, respectively, while PB and PI in CDCl<small><sub>3</sub></small> show relative errors of +5% and −3%, respectively. We observe significant linearity between nominal and measured concentrations with <em>R</em><small><sup>2</sup></small> values ranging from 0.9655 to 0.9981, except for PU, which had high relative errors and poor linearity (<em>R</em><small><sup>2</sup></small> = 0.9548). Moreover, simultaneous quantification of six polymers in THF-d<small><sub>8</sub></small> proves effective at intermediate concentrations. However, overlapping proton signals are observed, causing high-concentration polymers to mask low-concentration ones. While this study demonstrates low limit of quantification (LOQ) and advances in simultaneous polymer quantification, further research is needed to improve qNMR accuracy for mixed polymer samples and environmentally relevant concentrations.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13041-13052"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01174d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861085","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
Selective hydrogenation of HMF to DHMF with Ru–PNP complexes in ionic liquids†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D5RA01002K
Valeria Nori, Haliru Abdulrahman Sidi and Martin Nielsen
{"title":"Selective hydrogenation of HMF to DHMF with Ru–PNP complexes in ionic liquids†","authors":"Valeria Nori, Haliru Abdulrahman Sidi and Martin Nielsen","doi":"10.1039/D5RA01002K","DOIUrl":"https://doi.org/10.1039/D5RA01002K","url":null,"abstract":"<p >The catalytic hydrogenation of 5-hydroxymethylfurfural (HMF) to 2,5-dihydroxymethylfuran (DHMF) represents a promising pathway for the valorisation of lignocellulosic-derived biomass feedstock. This study investigates the use of Ru–PNP complexes as (pre)catalysts to achieve efficient and highly selective hydrogenation of HMF in ionic liquids (ILs) as green reaction media under mild reaction conditions. Our results indicate that <small><sup>iPr</sup></small>Ru-MACHO leads to excellent conversion and yield (up to 99%) of HMF to DHMF using 1-butyl-3-methylimidazolium acetate (BMIM OAc). The analogous cationic Ru–PNP complex bearing acetonitrile as ancillary ligand and hexafluorophosphate (PF<small><sub>6</sub></small><small><sup>−</sup></small>) as counterion also shows high catalytic activity (up to 99% conversion) in BMIM OAc under mild reaction conditions. Interestingly, the IL seems to prevent HMF polymerization to humins. Furthermore, the recyclability and reusability of the ionic liquid are systematically investigated.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 16","pages":" 12791-12796"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01002k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861022","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
Influence of LNA modifications on the activity of the 10–23 DNAzyme†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D5RA00161G
Marcelo Muñoz-González, Rodrigo Aguilar, Adrian A. Moreno and Marjorie Cepeda-Plaza
{"title":"Influence of LNA modifications on the activity of the 10–23 DNAzyme†","authors":"Marcelo Muñoz-González, Rodrigo Aguilar, Adrian A. Moreno and Marjorie Cepeda-Plaza","doi":"10.1039/D5RA00161G","DOIUrl":"https://doi.org/10.1039/D5RA00161G","url":null,"abstract":"<p >The 10–23 DNAzyme is a catalytic DNA molecule that efficiently cleaves RNA in the presence of divalent cations such as Mg<small><sup>2+</sup></small> or Ca<small><sup>2+</sup></small>. Following their discovery, the 10–23 DNAzymes demonstrated numerous advantages that quickly led them to be considered powerful molecular tools for the development of gene-silencing tools. In this study, we evaluate the efficiency of the 10–23 DNAzyme and an LNA-modified analog in cleaving human MALAT1, an RNA overexpressed in cancer cells. First, we perform <em>in vitro</em> assays using a 20 nt RNA fragment from the MALAT1 sequence, with 2 mM and 10 mM Mg<small><sup>2+</sup></small> and Ca<small><sup>2+</sup></small> as cofactors, to evaluate how LNA modifications influence catalytic activity. We found that the activity is increased in the LNA-modified DNAzyme compared to the unmodified version with both cofactors, in a concentration-dependent manner. Finally, the RNA-cleaving activity of the LNA-modified, catalytically active 10–23 DNAzyme was tested in MCF7 human breast cancer cells. We found that the DNAzyme persists for up to 72 h in cells and effectively silences MALAT1 RNA in a concentration-dependent manner as early as 12 h post-transfection.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13031-13040"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00161g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861083","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
Facile synthesis of a ZnO nanoplate/Ag nanoparticle hybrid as a highly sensitive SERS substrate for indigo carmine detection
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D4RA08973A
Thi Thu Ha Pham, Ngo Thi Lan, Tran Thu Trang, Nguyen Dac Dien, Truong Xuan Vuong, Thi Thu Thuy Nguyen, Tran Thi Kim Chi, Tran Thi Huong Giang, Nguyen Van Hao, Pham Thi Nga, Dong Thi Linh and Xuan Hoa Vu
{"title":"Facile synthesis of a ZnO nanoplate/Ag nanoparticle hybrid as a highly sensitive SERS substrate for indigo carmine detection","authors":"Thi Thu Ha Pham, Ngo Thi Lan, Tran Thu Trang, Nguyen Dac Dien, Truong Xuan Vuong, Thi Thu Thuy Nguyen, Tran Thi Kim Chi, Tran Thi Huong Giang, Nguyen Van Hao, Pham Thi Nga, Dong Thi Linh and Xuan Hoa Vu","doi":"10.1039/D4RA08973A","DOIUrl":"https://doi.org/10.1039/D4RA08973A","url":null,"abstract":"<p >This work presents the utilization of a hydrothermal treatment and a reduction reaction to synthesize a heterogeneous ZnO nanoplate (NPl)/Ag nanoparticle (NP) nanostructure for application in surface-enhanced Raman scattering (SERS). Under hydrothermal conditions, at 180 °C and 20 h, ZnO NPls with a thickness of 40 nm and edgewise size of 200 nm × 350 nm were prepared from precursors containing zinc acetate (CH<small><sub>3</sub></small>COO)<small><sub>2</sub></small>Zn and sodium hydroxide (NaOH). Then, Ag NPs with an average diameter of 17 nm were deposited onto the surface of the ZnO NPls by reducing AgNO<small><sub>3</sub></small> using trisodium citrate (TSC). The structural, morphological, and compositional behaviors of the prepared heterostructure were analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and energy dispersive X-ray spectroscopy (EDS). The optical properties of the as-prepared products were analyzed using Raman, ultraviolet-visible (UV-Vis) absorption and Fourier transform infrared (FTIR) spectroscopies and photoluminescence (PL) technique. Results confirmed the formation of a ZnO NPl/Ag NP heterostructure, with the Ag NPs adhering to the surface of the 2D semiconducting ZnO NPls. The SERS signal from the chemisorbed indigo carmine (IC) molecules on the ZnO/Ag surface was observed at various concentrations between 5 × 10<small><sup>−9</sup></small> M and 10<small><sup>−4</sup></small> M. The produced SERS substrate demonstrated superior SERS performance in detecting IC, with a low limit of detection (LOD) of 5 × 10<small><sup>−9</sup></small> M, a high enhancement factor (EF) of 1.57 × 10<small><sup>5</sup></small>, and good uniformity with a relative standard deviation (RSD) of 3.6%. Raman scattering signals from IC adsorbed on this ZnO/Ag heterostructure showed a significant enhancement compared with those of the same molecules adsorbed on a glass substrate. The surface-enhanced Raman scattering of ZnO/Ag was owing to the hotspots at the Ag NPs and effective charge transport among plasmonic Ag NPs, semiconducting ZnO NPls, and the IC molecules. The most captivating aspect of this study is that the molecular structure of IC was compared using computational and experimental methods; in particular, density functional theory (DFT) calculations using the B97 (d,p) basis set were performed to obtain the optimized geometric structure and frontier molecular orbital of IC molecules. This study provides definitive experimental validation underpinning the phenomenon of SERS on metal oxide semiconductor/noble metal hybrids, which can effectively enhance Raman signals owing to the synergistic action of the electromagnetic (EM) and chemical (CM) mechanisms.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13095-13110"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08973a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865363","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
An experimental and numerical investigation of secondary char formation in hydrothermal carbonization: revealing morphological changes via hydrodynamics† 热液碳化过程中二次炭形成的实验和数值研究:通过流体力学揭示形态变化†。
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D4RA08995B
Omar M. Abdeldayem, Capucine Dupont, David Ferras and Maria Kennedy
{"title":"An experimental and numerical investigation of secondary char formation in hydrothermal carbonization: revealing morphological changes via hydrodynamics†","authors":"Omar M. Abdeldayem, Capucine Dupont, David Ferras and Maria Kennedy","doi":"10.1039/D4RA08995B","DOIUrl":"https://doi.org/10.1039/D4RA08995B","url":null,"abstract":"<p >Hydrothermal carbonization (HTC) research has mainly focused on primary char production, with limited attention to secondary char, which is formed through polymerization and condensation of dissolved organic compounds in the liquid phase. This research aims to address this gap <em>via</em> an experimental investigation of the impact of stirring on the mass and carbon balance of HTC reaction products, surface functional groups, and surface morphology of secondary char, using fructose as a model compound. A 3D hydrodynamic simulation model was developed for a two-liter HTC stirred reactor. The experimental results indicated that stirring did not significantly influence the pH, mass, carbon balance, and surface functional groups of secondary char produced under the range of experimental conditions (180 °C, 10% biomass to water (B/W) ratio, and a residence time of 0–120 min) studied. Nonetheless, it was observed that a stirring rate of 200 rpm influenced the morphology and shape of the secondary char microspheres, leading to a significant increase in their size <em>i.e.</em>, from 1–2 μm in unstirred conditions compared with 70 μm at a stirring rate of 200 rpm. This increase in size was attributed to the aggregation of microspheres into irregular aggregates at stirring rates &gt; 65 rpm and residence times &gt; 1 h. The hydrodynamic model revealed that high turbulence of Re &gt; 10<small><sup>4</sup></small> and velocities &gt; 0.17 m s<small><sup>−1</sup></small> correlated with regions of secondary char formation, emphasizing their role in particle aggregation. Particle aggregation is significant above a stirring rate of 65 rpm, which corresponds to the onset of turbulent flow in the reactor. Finally, a mechanism is proposed, based on reactor hydrodynamics under stirred conditions, that explains secondary char deposition on the reactor walls and stirrer.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 16","pages":" 12723-12738"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08995b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861021","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
Prioritization of novel anti-infective stilbene derivatives by combining metabolomic data organization and a stringent 3R-infection model in a knowledge graph†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-23 DOI: 10.1039/D4RA08421G
Olivier Auguste Kirchhoffer, Luis Quirós-Guerrero, Jahn Nitschke, Louis-Félix Nothias, Frédéric Burdet, Laurence Marcourt, Nabil Hanna, Florence Mehl, Bruno David, Antonio Grondin, Emerson Ferreira Queiroz, Marco Pagni, Thierry Soldati and Jean-Luc Wolfender
{"title":"Prioritization of novel anti-infective stilbene derivatives by combining metabolomic data organization and a stringent 3R-infection model in a knowledge graph†","authors":"Olivier Auguste Kirchhoffer, Luis Quirós-Guerrero, Jahn Nitschke, Louis-Félix Nothias, Frédéric Burdet, Laurence Marcourt, Nabil Hanna, Florence Mehl, Bruno David, Antonio Grondin, Emerson Ferreira Queiroz, Marco Pagni, Thierry Soldati and Jean-Luc Wolfender","doi":"10.1039/D4RA08421G","DOIUrl":"https://doi.org/10.1039/D4RA08421G","url":null,"abstract":"<p >The rising threat of multidrug-resistant tuberculosis, caused by <em>Mycobacterium tuberculosis</em>, underscores the urgent need for new therapeutic solutions to tackle the challenge of antibiotic resistance. The current study utilized an innovative 3R infection model featuring the amoeba <em>Dictyostelium discoideum</em> infected with <em>Mycobacterium marinum</em>, serving as stand-ins for macrophages and <em>M. tuberculosis</em>, respectively. This high-throughput phenotypic assay allowed for the evaluation of more specific anti-infective activities that may be less prone to resistance mechanisms. To discover novel anti-infective compounds, a diverse collection of 1600 plant NEs from the Pierre Fabre Library was screened using the latter assay. Concurrently, these NEs underwent untargeted UHPLC-HRMS/MS analysis. The biological screening flagged the NE from <em>Stauntonia brunoniana</em> as one of the anti-infective hit NEs. High-resolution HPLC micro-fractionation coupled with bioactivity profiling was employed to highlight the natural products driving this bioactivity. Stilbenes were eventually identified as the primary active compounds in the bioactive fractions. A knowledge graph was then used to leverage the heterogeneous data integrated into it to make a rational selection of stilbene-rich NEs. Using both CANOPUS chemical classes and Jaccard similarity indices to compare features within the metabolome of the 1600 plant NEs collection, 14 NEs rich in stilbenes were retrieved. Among those, the roots of <em>Gnetum edule</em> were flagged as possessing broader chemo-diversity in their stilbene content, along with the corresponding NE also being a strict anti-infective. Eventually, a total of 11 stilbene oligomers were isolated from <em>G. edule</em> and fully characterized by NMR with their absolute stereochemistry established through electronic circular dichroism. Six of these compounds are new since they possess a stereochemistry which was never described in the literature to the best of our knowledge. All of them were assessed for their anti-infective activity and (−)-gnetuhainin M was reported as having the highest anti-infective activity with an IC<small><sub>50</sub></small> of 22.22 μM.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 17","pages":" 13010-13030"},"PeriodicalIF":3.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08421g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861084","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
Phytochemical and antioxidant comparison of Quercus ilex and Quercus robur acorn extracts obtained by matrix solid-phase dispersion†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-04-22 DOI: 10.1039/D4RA08675A
Diego Gonzalez-Iglesias, Laura Rubio, Francisco Martinez-Vazquez, Aly Castillo, Maria Celeiro, Carmen Garcia-Jares and Marta Lores
{"title":"Phytochemical and antioxidant comparison of Quercus ilex and Quercus robur acorn extracts obtained by matrix solid-phase dispersion†","authors":"Diego Gonzalez-Iglesias, Laura Rubio, Francisco Martinez-Vazquez, Aly Castillo, Maria Celeiro, Carmen Garcia-Jares and Marta Lores","doi":"10.1039/D4RA08675A","DOIUrl":"https://doi.org/10.1039/D4RA08675A","url":null,"abstract":"<p >Oak (<em>Quercus</em> spp.) acorns are used in animal feed and in the treatment of specific diseases due to their nutritional value and high content of bioactive compounds. The aim of the present work is to investigate and compare polyphenolic compounds and the antioxidant activity of <em>Quercus ilex</em> and <em>Quercus robur</em> acorn extracts. This is performed using the matrix solid-phase dispersion (MSPD) extraction process, in an environmentally friendly way with different generally recognised as safe (GRAS) solvents. The GRAS solvents considered were an alcohol, a ketone, an ester and a glycol. Total polyphenolic content (TPC) and antioxidant activity (DPPH and ABTS scavenging test) were determined spectrophotometrically. The different antioxidant data obtained by two approaches are discussed. All <em>Quercus robur</em> extracts show better results than <em>Quercus ilex</em> in both total polyphenolic content and antioxidant activity, the highest results being obtained with ethyl lactate, 76 mgGAE g<small><sup>−1</sup></small> DW and 2636 μmolTE g<small><sup>−1</sup></small> DW, respectively. These results demonstrate the correlation between total polyphenolic content and antioxidant activity, and that free radical scavenging is concentration dependent. Individual quantification of the polyphenols was performed by liquid chromatography-tandem mass spectrometry (LC-MS/MS), with the major compounds being gallic acid, ellagic acid, catechin, quercetin and gallotannins in all extracts. MSPD, for the first time applied to acorns, has proven to be a good alternative to conventional processes for obtaining antioxidant extracts rich in bioactive compounds.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 16","pages":" 12538-12546"},"PeriodicalIF":3.9,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08675a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856355","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