The Royal Society of Chemistry最新文献

{"title":"Effects of microscans on the results of orbitrap mass spectrometry analysis of natural organic matter.","authors":"Sophia M Byvsheva, Mikhail A Proskurnin, Dmitry S Volkov","doi":"10.1039/d5ay01313e","DOIUrl":"https://doi.org/10.1039/d5ay01313e","url":null,"abstract":"<p><p>This study experimentally confirms that averaging individual spectral transients (microscans) is not equivalent to averaging scans in the enhanced FT algorithm of data acquisition within the orbitrap performance. The effect of microscans on the absolute noise level is studied; signal-to-noise ratio (SNR) and results of qualitative molecular analysis of natural organic matter (NOM) were obtained. Our studies have shown significant differences in the structure of obtained spectra and especially in the intensity and appearance of noise signals. Increasing the number of microscans leads to an increase in SNR, which is especially important for systems with a large content of low-intensity analytical peaks like NOM. The influence is significant and must be considered both during in-laboratory measurements for various samples and when comparing results across different laboratories.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145147292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Decoding the relationship between the molecular structure and sweetness intensity of plant-derived chalcones based on 3D-QSAR.","authors":"Lufang Chen, Yanling Lin, Yi Zhang, Shuting Lai, Shuhuan Zheng, Hui Ni, Feng Chen, Fan He","doi":"10.1039/d5fo01775k","DOIUrl":"https://doi.org/10.1039/d5fo01775k","url":null,"abstract":"<p><p>Natural plant-derived chalcones exhibit sweetening properties and bioactive health benefits, making them promising natural sweeteners. However, their unsatisfying sweetness intensity restricts their applications in the food industry. To clarify the structure-sweetness relationship, 25 chalcones were characterized for their sweetness threshold and structural features using sensory evaluation and molecular superposition. The quantitative conformational relationship on the structure-sweetness of chalcones was explored by 3D-QSAR based on comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA). Results showed that introducing a negatively charged group at the C2 site of ring A, a positively charged group at the C4 site, and a small-volume group with a positive charge at the C6 site could effectively increased the sweetness. Additionally, a negatively charged group at the C3' site of ring B and large-volume groups at the C4' and C5' sites were helpful in improving the sweetness. The sweetness intensity of some chalcones was predicted and evaluated, and the results followed with the proposed model, confirming the validation of 3D-QSAR. Molecular docking also verified the model's findings. This study provided theoretical insights into the structure-sweetness relationship of chalcones, offering potential information for understanding the sweetness from natural plants and a foundation for the development of natural sweeteners with improved sweetness and functional benefits.</p>","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.4,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145147328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lifetime and fluctuations of specific bonds between anisotropic colloids mediated through depletion interactions.","authors":"M Mayarani, Justine Laurent, Martin Lenz, Olivia du Roure, Julien Heuvingh","doi":"10.1039/d5sm00841g","DOIUrl":"https://doi.org/10.1039/d5sm00841g","url":null,"abstract":"<p><p>To fabricate large-scale structures using colloidal particle self-assembly, one of the main challenges is to prevent kinetic trapping in metastable states. Therefore, interactions and colloids must be carefully chosen to ensure selectivity to guide the assembly, reversibility to enable large-scale reorganization and flexibility to finely tune colloid positioning. In pursuit of this, we study simple anisotropic colloids in the shape of half-disks fabricated using two-photon lithography and drive their self-assembly through their vertical faces using depletion interactions. Depletion interactions are widely used in the literature to induce colloidal self-assembly and can provide reversible interactions at low depletant concentrations. The specificity is a consequence of the geometry of the colloids, where the attraction between flat faces is favored by depletion interactions. We demonstrate that these interactions are transient, with survival times that depend on the shape of the interacting faces. The bond lifetime as a function of the depletant concentration is correctly predicted by a theoretical model based on the excluded volume. We also show that the flat surfaces can slide relative to each other offering flexibility to the bonds. We quantify this sliding and show that it follows a Boltzmann distribution governed by the depletion energy. Bond breaking between surfaces occurred predominantly when they are offset relative to each other. Incorporating this flexibility on bond lifetime in our model yields better quantitative agreement on the bond lifetimes. This quantification of specific, transient, and flexible bonds between simple anisotropic colloids could pave the way for the self-assembly of larger, defect-free colloidal structures.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145147076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles insights into sulfur and nitrogen co-doped Ti2CO2 MXene as an advanced anchoring material for sodium polysulfides in sodium–sulfur batteries","authors":"Nguyen Van Nghia, Trinh Thu Bien, Nguyen Truong Long and Minh Triet Dang","doi":"10.1039/D5RA05003K","DOIUrl":"https://doi.org/10.1039/D5RA05003K","url":null,"abstract":"<p >Room-temperature sodium–sulfur (Na–S) batteries have attracted significant attention for large-scale energy storage due to their high energy density, environmental compatibility, and cost-effectiveness. Nevertheless, their practical application is severely hindered by the shuttle effect resulting from the dissolution of sodium polysulfides into electrolyte solvents and the intrinsically poor conductivity of sulfur cathodes. In this work, we systematically investigate, by first-principles density functional theory calculations, the effectiveness of doping sulfur (S) and co-doping nitrogen (N) and sulfur (S) atoms on Ti<small>₂</small>CO<small>₂</small> MXene as anchoring materials for sodium polysulfides (Na<small>₂</small>S<small>_<em>x</em></small>). Our results indicate that both doping and co-doping significantly enhance the adsorption strength of Na<small>₂</small>S<small>_<em>x</em></small> clusters on Ti<small>₂</small>CO<small>₂</small> surfaces compared to pristine MXene, with the NS co-doped Ti<small>₂</small>CO<small>₂</small> exhibiting the strongest adsorption ability, especially for high-order polysulfides (Na<small>₂</small>S<small>₆</small>, Na<small>₂</small>S<small>₈</small>). We identify distinct adsorption mechanisms based on Bader charge analysis and projected density of states calculations, revealing substantial charge transfer from the adsorbed clusters to the MXene surface. Additionally, doping with S and NS co-doping significantly enhances electronic conductivity. Our findings offer theoretical insights into the beneficial role of heteroatom doping in MXenes and highlight NS co-doped Ti<small>₂</small>CO<small>₂</small> as a promising candidate for mitigating polysulfide shuttle effects in next-generation Na–S batteries.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 42","pages":" 35586-35597"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra05003k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Heavy metal pollution in aquatic environments and removal using highly efficient bimetallic metal–organic framework adsorbents","authors":"Kawan F. Kayani and Sewara J. Mohammed","doi":"10.1039/D5RA06296A","DOIUrl":"https://doi.org/10.1039/D5RA06296A","url":null,"abstract":"<p >Rapid urbanization and industrial development worldwide have significantly increased the release and spread of anthropogenic heavy metals, extending their impact from local sources to broader regions. This growing pollution poses serious risks to human health and aquatic ecosystems. Although extensive research has been conducted on the removal of heavy metal from water, existing treatment methods still require optimization for improved efficiency and specificity. Among these, adsorption is recognized as the most effective technique, with bimetallic metal–organic frameworks (BMOFs) emerging as highly promising adsorbents due to their exceptional adsorption capabilities and potential to address complex environmental challenges. Therefore, it is essential to implement measures that reduce heavy metal concentrations in water to safe levels. This review provides a detailed account of the sources and toxicity of heavy metals to humans and ecosystems. It explains BMOFs, their synthesis, and mechanisms of interaction with heavy metals, and, for the first time, explores the application of BMOFs for the removal of heavy metals from aqueous environments. In summary, this review offers a comprehensive overview of the latest progress in BMOF-based heavy metal remediation, providing valuable insights for future BMOF synthesis and practical solutions for water decontamination.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 43","pages":" 35756-35769"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra06296a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Beyond the oral niche: <i>Lacticaseibacillus paracasei</i> LPC-37 unlocks oral-gastric-intestinal crosstalk for butyric acid-dependent oral inflammation alleviation.","authors":"Yonglu Li, Xin Gao, Lihan Jiang, Hongdi Song, Chen Yang, Cong Wu, Yapeng Li, Shihai Yan, Ping Li, Qing Gu","doi":"10.1039/d5fo02279g","DOIUrl":"https://doi.org/10.1039/d5fo02279g","url":null,"abstract":"<p><p>Oral inflammatory diseases are prevalent yet poorly understood in the context of systemic microbiota interactions along the oral-gastric-intestinal axis. Current interventions primarily target direct inflammation inhibition <i>in situ</i>, leaving the cross-compartmental microbial mechanisms underlying oral inflammation underexplored. Moreover, the therapeutic potential of probiotics in modulating multi-site microbiota dynamics to alleviate oral inflammation remains limited by insufficient mechanistic insights. Using an acetic acid-induced oral inflammatory mouse model, this study systematically tracked alterations in the digestive microbiota across distinct gastrointestinal compartments during oral inflammation progression, thereby elucidating the microbiota-driven mechanisms of oral inflammation through both holistic and site-specific analyses of the digestive tract. Additionally, the potent anti-inflammatory efficacy of the commercially utilized probiotic <i>Lacticaseibacillus paracasei</i> LPC-37 was evaluated. The anti-inflammatory mechanism of LPC-37 was deciphered through microbiota structural analysis, gastrointestinal survival assessment, co-culture characterization, and short-chain fatty acid profiling. LPC-37, exhibiting robust gastrointestinal resistance, demonstrated enhanced intestinal colonization. This promoted a synergistic interaction with same-family bacteria to elevate <i>Ligilactobacillus</i> abundance, enabling antagonism against the marker microbe <i>Aerococcus</i> while upregulating <i>Clostridium saccharolyticum</i> WM1, a butyrate-producing strain. These microbial shifts drove butyrate biosynthesis, ultimately alleviating oral inflammation. The findings unravel a systemic microbiota interplay along the oral-gastric-intestinal axis and propose a novel probiotic-based strategy for anti-oral-inflammatory therapy.</p>","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.4,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145147256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A practical synthesis of enantiopure syn-β-amino-α-hydroxy acids from α-amino acids with application in the formal syntheses of l-TFB-TBOA and (S)-vigabatrin","authors":"Bohua Long, Peng Zhang, Mengmeng Jiang, Pengfei Guo, Xuanluan Chen, Shunlei Shang and Zhengzhi Wu","doi":"10.1039/D5RA05586E","DOIUrl":"https://doi.org/10.1039/D5RA05586E","url":null,"abstract":"<p >Enantiopure <em>syn</em>-β-amino-α-hydroxy acids have been synthesized from α-amino acids in a multi-step procedure that exhibits a high level of stereoselectivity and good overall yields. A stepwise oxidation of the terminal olefin to a carboxylic acid delivered an essentially quantitative yield <em>via</em> a cleaner process relative to the conventional one-pot oxidation. The practical value of this transformation has been demonstrated in the formal synthesis of <small>L</small>-TFB-TBOA and (S)-vigabatrin.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 42","pages":" 35635-35641"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra05586e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"PVP-functionalized Dy2O3/Pr2O3 nanocomposites: a multifunctional platform for photoluminescence, WLEDs, latent fingerprinting, and anti-counterfeiting applications","authors":"Kartik Gopal and Sunitha D. V.","doi":"10.1039/D5RA06661A","DOIUrl":"https://doi.org/10.1039/D5RA06661A","url":null,"abstract":"<p >Luminescent nanomaterials that combine high optical performance with multifunctional utility are essential for next-generation optoelectronic and forensic applications. However, achieving simultaneous enhancement of photoluminescence efficiency and practical applicability remains a challenge. Here, we report the synthesis of PVP-functionalized Dy<small>₂</small>O<small>₃</small>/Pr<small>₂</small>O<small>₃</small> nanocomposites <em>via</em> a solution combustion route, where surface passivation with 9 wt% polyvinylpyrrolidone (PVP) effectively reduced crystallite size and improved dispersion. Structural and spectroscopic analyses confirmed strong polymer–oxide interactions, leading to defect passivation and enhanced luminescence. Photoluminescence studies demonstrated intense Dy<small>³⁺</small>–Pr<small>³⁺</small> emissions with a prolonged decay lifetime (5.2 ns) and a high quantum yield (92.16%). Chromaticity analysis indicated warm white light emission (CCT ≈ 5826 K, CRI ≈ 92), underscoring their suitability for high-quality WLEDs. Beyond lighting, the nanocomposites enabled clear visualization of latent fingerprints under UV illumination, revealing level 1–3 ridge details, and served as a covert UV-responsive ink for anti-counterfeiting applications. These results position PVP-coated Dy<small>₂</small>O<small>₃</small>/Pr<small>₂</small>O<small>₃</small> nanocomposites as a versatile platform bridging solid-state lighting, forensics, and security technologies.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 42","pages":" 35553-35565"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra06661a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative evaluation of amoxicillin loading and release behavior from waste-derived hydroxyapatite synthesized by solid-state and wet chemical routes","authors":"Mashrafi Bin Mobarak, Sumaya Tabassum, Md Sohag Hossain, Nourin Tarannum, Fariha Chowdhury, Md. Sahadat Hossain, Nazmul Islam Tanvir and Samina Ahmed","doi":"10.1039/D5RA06021D","DOIUrl":"https://doi.org/10.1039/D5RA06021D","url":null,"abstract":"<p >This study presents a comparative analysis of amoxicillin loading and release behaviors of hydroxyapatite (HAp) synthesized by two methods, solid-state reaction (S-HAp1000) and wet chemical precipitation (W-HAp1000) using waste chicken eggshells as the calcium source and calcination at 1000 °C for 2 hours. Structural and morphological characterization revealed significant differences: S-HAp1000 exhibited a biphasic composition with 75.5% HAp and 24.5% β-TCP based on Rietveld refinement, larger crystallite size (88 nm), and higher amoxicillin entrapment efficiency (11.63%), while W-HAp1000 exhibited 99.6% phase-pure HAp, smaller crystallite size (83 nm), and lower entrapment efficiency (7.28%). Drug release in simulated body fluid (SBF) at pH 7.4 and 4.0 showed that W-HAp1000 released 62.96% and 79.18% of amoxicillin respectively, compared to 44.66% and 66.01% for S-HAp1000. Release kinetics revealed that amoxicillin release from S-HAp1000 followed an anomalous (non-Fickian) transport mechanism at physiological pH (7.4), which shifted toward a diffusion-controlled (Fickian) mechanism under acidic conditions (pH 4.0). In contrast, W-HAp1000 exhibited a concentration-dependent, zero-order release profile at pH 7.4, transitioning to a case II transport mechanism, characterized by matrix relaxation or erosion at pH 4.0. W-HAp1000 also showed broader antibacterial activity, inhibiting both <em>S. aureus</em> and <em>E. coli</em>, whereas S-HAp1000 was only effective against <em>S. aureus</em>. These findings suggest that synthesis methodology significantly influences the drug delivery performance of HAp for osteomyelitis therapy.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 42","pages":" 35617-35633"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra06021d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Ti nanoparticle additives enhance combustion behavior and reactivity in B-based thermites","authors":"Yingke Chang, Wanjun Zhao, Enyi Chu, Jianxin Nie, Wei Ren, Buren Duan and Qingjie Jiao","doi":"10.1039/D5RA90107C","DOIUrl":"https://doi.org/10.1039/D5RA90107C","url":null,"abstract":"<p >Correction for ‘Ti nanoparticle additives enhance combustion behavior and reactivity in B-based thermites’ by Yingke Chang <em>et al.</em>, <em>RSC Adv.</em>, 2025, <strong>15</strong>, 23867–23873, https://doi.org/10.1039/D5RA02909K.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 43","pages":" 35726-35726"},"PeriodicalIF":4.6,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra90107c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141810","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}