The Royal Society of Chemistry最新文献

{"title":"Nonlinear behavior of stochastic athermal fiber networks with elastic-plastic fibers.","authors":"Syed N Amjad, Nishan Parvez, Catalin R Picu","doi":"10.1039/d4sm01427h","DOIUrl":"https://doi.org/10.1039/d4sm01427h","url":null,"abstract":"<p><p>Stochastic fiber networks form the structural component of network materials, which are broadly encountered in engineering and biology. Apparent elastic-plastic behavior, characterized by a yield point and softening at larger strains, is observed in some of these materials. A range of mechanisms, some of which being unrelated to fiber plasticity, may cause this behavior. In this work we investigate network plasticity caused by the plastic deformation of fibers and develop a comprehensive perspective on its relationship with network structural parameters. We determine the scaling of the yield stress and yield strain with network parameters emphasizing differences between the affine and non-affine deformation regimes. The non-linear response of the network is more complex when fiber plasticity takes place than in the purely elastic case. We describe four non-linear regimes and their dependence on network parameters. Further, we evaluate the dissipation and residual strains resulting upon loading-unloading cycles for a variety of networks and discuss design strategies for maximizing energy dissipation. Finally, we provide guidelines for the interpretation of experimental results and discuss ways to distinguish between various mechanisms that may cause a yield point and apparent elastic-plastic behavior.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707778","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":"A nearly transparent Ni-based oxygen-evolving catalyst for photoelectrocatalysis.","authors":"Qiu Zhang, Peikun Zhang, Chunhua Cui","doi":"10.1039/d5cc00865d","DOIUrl":"https://doi.org/10.1039/d5cc00865d","url":null,"abstract":"<p><p>An adaptive Ni-based catalyst derived from soluble nickel-bipyridine [Ni(bpy)₃]²⁺ exhibits increased active sites, and yet is nearly transparent to solar light; hence, this catalyst on nickel-sputtered Si exhibits a 250 mV negative shift of overpotential at 20 mA cm^-2 relative to the pristine Ni/Si photoanode.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coarse-grained molecular dynamics simulations of slide-ring gels under finite deformation: influence of sliding ring rearrangement on softness and extensibility.","authors":"Yusuke Yasuda, Takeyoshi Masumoto, Koichi Mayumi, Masatoshi Toda, Hideaki Yokoyama, Hiroshi Morita, Kohzo Ito","doi":"10.1039/d5sm00003c","DOIUrl":"https://doi.org/10.1039/d5sm00003c","url":null,"abstract":"<p><p>Slide-ring (SR) gels are a class of polymer gels known for their unique softness, toughness, and high extensibility. The defining structural feature of SR gels is their figure-of-eight-shaped slidable cross-links, whose sliding dynamics are believed to underpin their mechanical properties. However, the relationship between the sliding mechanics and observed mechanical behavior of SR gels remains unclear because their structure differs considerably from those of conventional fixed cross-link gels and vulcanized rubbers. In this work, we employed coarse-grained molecular dynamics simulations to investigate the mechanical behavior of SR gels up to large deformation. By visualizing the correlated distribution of network strand orientation and stress loading, we found that SR gels under strain exhibit uniform chain orientation and efficient stress dispersion throughout the network, in contrast to gels with fixed cross-links, which display regions of highly oriented and heavily stressed chains. Furthermore, we observed that the distribution of network-strand length changes under deformation, indicating that chains are reconfigured into shorter and longer sections during stretching. Notably, we demonstrated that the finite network-strand length (<i>N</i>_max) determines the finite extensibility of SR gels, corresponding to the maximum elongation ratio (<i>λ</i>_max). These findings provide new insights into the molecular mechanisms driving the high extensibility and toughness of SR gels and offer valuable guidance for designing SR gels with tailored mechanical properties.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707767","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":"Harnessing nanoparticles and bioorthogonal chemistries for improving precision of nuclear medicine.","authors":"Gayathri R Ediriweera, Mengdie Li, Nicholas L Fletcher, Zachary H Houston, Muneer Ahamed, Idriss Blakey, Kristofer J Thurecht","doi":"10.1039/d4bm01387e","DOIUrl":"https://doi.org/10.1039/d4bm01387e","url":null,"abstract":"<p><p>The convergence of nanotechnology, radiopharmaceutical development and molecular imaging has unveiled exciting opportunities for the progress of innovative diagnostic and therapeutic strategies, paving the way for significant advancements in biomedical research, especially in relation to cancer. For example, the use of highly sensitive and quantitative nuclear imaging techniques including PET and SPECT, together with nanoparticles for tumour imaging and therapy has recently expanded rapidly. While the long circulating properties of many nanomaterials are beneficial for prodrug chemotherapy formulations, due to the constant decay processes involved in nuclear medicines, directly labelled materials result in prolonged systemic radiation exposure and reduced therapeutic indices due to the unfavourable target-to-background ratios. This is due to the tendency for long circulating nanomaterials to distribute within the blood to other organs, such as the liver and spleen. The recent integration of bioorthogonal chemistry with nanotechnology and molecular imaging/radiotherapy has revolutionized the field by allowing the decoupling of the targeting molecule (<i>i.e.</i> nanomaterial with a bioorthogonal tag) and the imaging/therapeutic radioisotope. In this way, the detection/therapeutic element can be administered as a secondary \"chase\" molecule that contains the bioorthogonal partner, thereby creating an avenue to improve therapeutic index and provide imaging and treatments with reduced risk. This review will provide an overview of the progress made thus far in the field of nuclear imaging and radiotherapy for cancer using the combination of nanomaterials and bioorthogonal chemistry. We also provide a critical evaluation of the challenges and opportunities for using these approaches to better understand disease and treatment mechanisms, with the potential for downstream clinical translation.</p>","PeriodicalId":65,"journal":{"name":"Biomaterials Science","volume":" ","pages":""},"PeriodicalIF":5.8,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative assessment of flavonoid content in banana pulp and peel and their role in mitigating bone loss conditions and promoting osteoblast differentiation.","authors":"Shradha Sinha, Anirban Sardar, Divya Rai, Ashish Kumar Tripathi, Priyanka Kothari, Ruchika Rajput, Ashutosh Pandey, Ritu Trivedi","doi":"10.1039/d4fo04943h","DOIUrl":"https://doi.org/10.1039/d4fo04943h","url":null,"abstract":"<p><p>Banana fruit is widely grown and serves as a source of income across the tropics. It is known for its nutritional qualities and well-recognized medicinal applications. Given that banana pulp and peel are rich in flavonoids, such as naringenin, kaempferol, and quercetin, which are already known for their role in bone health, we hypothesize that banana pulp and peel can accelerate fracture healing, mitigate bone loss in post-menopausal conditions, and promote osteoblast differentiation. The current study was proposed to assess a comparative and parallel investigation of the differential flavonoid expression in banana pulp and peel and their concomitant bone anabolic effects. The pulp extract exhibited its osteogenic potential when administered orally for 2 weeks at doses of 250, 500 and 750 mg per kg per day in the osteotomy Balb/c mice model (<i>n</i> = 10), while the peel extract showed similar effects at comparatively much lower doses of 50, 100 and 250 mg per kg per day for the same duration. The effective lower doses in both cases, <i>i.e.</i>, 250 mg per kg per day for the pulp and 50 mg per kg per day for the peel, were used to further investigate the anti-osteoporotic potential <i>in vivo</i> over a span of 8 weeks (<i>n</i> = 10). Banana pulp ameliorated the microarchitectural deterioration of the bones by increasing the rate of bone formation while simultaneously limiting exaggerated resorption, as assessed by micro-CT, calcein labelling, TRAP staining, bone strength parameters and measurement of bone formation and resorption markers in serum. Similar results were obtained with the banana peel extract at considerably lower doses. The osteogenic potential of the pulp and peel extracts was also tested in an <i>in vitro</i> setup. Osteoblast viability and differentiation, as assessed by MTT, ALP, mineralization and RT-PCR, demonstrated that bone formation potential was observed at 2.5 μg ml^-1 and 5 μg ml^-1 of the pulp extract, whereas in the case of the peel extract, it was observed at 0.625 μg ml^-1 and 1.25 μg ml^-1. These findings indicate that banana peel can exert similar osteogenic and osteoprotective effects as the pulp but at a much lower dose. This highlights banana peel as a prospective, sustainable feedstock for the healthcare sector, providing an alternative to its disposal.</p>","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707739","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":"Microfluidic mimicry of the Golgi-linked <i>N</i>-glycosylation machinery.","authors":"Florin N Isenrich, Marie-Estelle Losfeld, Markus Aebi, Andrew J deMello","doi":"10.1039/d5lc00005j","DOIUrl":"https://doi.org/10.1039/d5lc00005j","url":null,"abstract":"<p><p>The complexity of the eukaryotic glycosylation machinery hinders the development of cell-free protein glycosylation since <i>in vitro</i> methods struggle to simulate the natural environment of the glycosylation machinery. Microfluidic technologies have the potential to address this limitation due to their ability to control glycosylation parameters, such as enzyme/substrate concentrations and fluxes, in a rapid and precise manner. However, due to the complexity and sensitivity of the numerous components of the glycosylation machinery, very few \"glycobiology-on-a-chip\" systems have been proposed or reported in the literature. Herein, we describe the design, fabrication and proof-of-concept of a droplet-based microfluidic platform able to mimic <i>N</i>-linked glycan processing along the secretory pathway. Within a single microfluidic device, glycoproteins and glycosylation enzymes are encapsulated and incubated in water-in-oil droplets. Additional glycosylation enzymes are subsequently supplied to these droplets <i>via</i> picoinjection, allowing further glycoprotein processing in a user-defined manner. After system validation, the platform is used to perform two spatiotemporally separated consecutive enzymatic <i>N</i>-glycan modifications, mirroring the transition between the endoplasmic reticulum and early Golgi.</p>","PeriodicalId":85,"journal":{"name":"Lab on a Chip","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A sulfonated supramolecular host based on pillar[5]arene for succinylcholine-induced neuromuscular blockade reversal.","authors":"Mengyao Li, Yujie Cheng, Rui Fei, Danyu Xia, Zibin Zhang, Shaolong Qi, Jianshi Du","doi":"10.1039/d5cc00728c","DOIUrl":"https://doi.org/10.1039/d5cc00728c","url":null,"abstract":"<p><p>A per-sulfonated pillar[5]arene (SP[5]A) is designed as a reversal agent to reverse neuromuscular blockade induced by succinylcholine (Sch) <i>via</i> host-guest recognition. SP[5]A can rapidly and specifically recognize and encapsulate Sch <i>in vivo</i> for elimination with a binding affinity as high as 10⁵ M^-1. SP[5]A mitigates Sch-induced adverse reactions including hyperkalemia, arrhythmias, and rhabdomyolysis.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel insights into nanoscale surface displacement detection in polystyrene thin films using photothermal mirror- and atomic force microscopy-mid-IR spectroscopy†","authors":"Ufuk Yilmaz, Gustavo V. B. Lukasievicz, Elizandra Sehn, Yide Zhang, Nelson G. C. Astrath, Georg Ramer and Bernhard Lendl","doi":"10.1039/D5RA00555H","DOIUrl":"https://doi.org/10.1039/D5RA00555H","url":null,"abstract":"<p >Photothermal spectroscopy techniques operating at single wavelengths in the vis-NIR range have been widely used to measure optical absorption and thermal characteristics of materials owing to their high sensitivity. We introduced photothermal mirror spectroscopy employing a highly tunable mid-IR pump laser (PTM-IR) for the chemical analysis of thin film polystyrene samples on IR transparent calcium fluoride substrates. PTM-IR spectroscopy surpasses conventional PTM spectroscopy as it provides chemical specificity through molecule-specific absorption <em>via</em> the detection of the magnitude of the PTM signal as a function of the excitation wavelength. We compared the obtained spectra with those measured using atomic force microscopy-infrared spectroscopy (AFM-IR), an already well-established photothermal technique also operating in the mid-IR range, and standard Fourier-transform infrared (FT-IR) spectroscopy. Numerical simulations using finite element analysis were employed to estimate the expected increase in temperature and surface deformation induced by the laser pulse train in each photothermal technique. Excellent agreement was obtained across the studied techniques in terms of qualitative mid-IR spectra and thickness determination.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 12","pages":" 9243-9253"},"PeriodicalIF":3.9,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00555h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698395","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":"Cynarin protects against seizures and neuronal death in a rat model of kainic acid-induced seizures.","authors":"Cheng-Wei Lu, Tzu-Yu Lin, Wun-Jing Pan, Kuan-Ming Chiu, Ming-Yi Lee, Su-Jane Wang","doi":"10.1039/d4fo05464d","DOIUrl":"https://doi.org/10.1039/d4fo05464d","url":null,"abstract":"<p><p>The potential therapeutic value of cynarin, a phenolic compound derived from artichoke, in treating epilepsy has not yet been reported. The present study evaluated the effects of cynarin on a kainic acid (KA)-induced seizure rat model and its potential mechanism. Cynarin was administered through oral gavage at a dosage of 10 mg kg^-1 daily for 7 days before the induction of seizures with KA (15 mg kg^-1) <i>via</i> intraperitoneal injection. The results showed that pretreatment with cynarin effectively attenuated the KA-induced seizure score and electroencephalogram (EEG) changes and prevented neuronal loss and glial cell activation in the hippocampi of KA-treated rats. In addition, pretreatment with cynarin dramatically prevented the aberrant levels of high mobility group box 1 (HMGB1), toll-like receptor-4 (TLR4), p-IκB, p65-NFκB, interleukin-1β (IL-1β), interleukin-6 (IL-6) and tumor necrosis factor (TNF-α) induced by KA administration in hippocampal tissues. Additionally, KA substantially increased hippocampal glutamate levels and decreased cerebral blood flow, which were significantly alleviated by pretreatment with cynarin. The observed effects of cynarin were comparable to those of the antiepileptic drug carbamazepine (CBZ). Furthermore, there was no significant difference in the serum AST, ALT, creatinine, or bilirubin levels between the cynarin-treated rats and the control rats. Cynarin has a neuroprotective effect on a rat model of seizures induced by KA, reducing seizures, gliosis, inflammatory cytokines, and glutamate elevation and increasing cerebral blood flow. Thus, cynarin has therapeutic potential for preventing epilepsy.</p>","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143727196","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":"Structural analyses of <i>Glycyrrhiza glabra</i> C-glycosyltransferase: a molecular dynamics study to elucidate catalytically active complexes.","authors":"Gonzalo A Jaña, Fabiola E Medina, Francisco Barrios, Jorge I Martínez-Araya, Fernanda Mendoza","doi":"10.1039/d4ob01814a","DOIUrl":"https://doi.org/10.1039/d4ob01814a","url":null,"abstract":"<p><p>C-Glycosides belong to a class of bioactive compounds biosynthesized by C-glycosyltransferases, also known as C-GTs. Despite their practical significance, C-GTs have scarcely been studied due to the limited availability of their crystal structures. In this study, we applied molecular dynamics (MD) simulations and density functional theory (DFT) calculations to investigate <i>Glycyrrhiza glabra</i> C-GT (<i>Gg</i>CGT), focusing on the impact of protonation states of two histidine residues and specific mutations on enzyme-substrate configurations. We explored nine native ternary models, considering all possible combinations of protonation states for the His351/His373 pair, which we proposed as fundamental for catalysis. We also included four different mutants designed to assess the role of residues found to be essential for catalytic activity through mutagenesis experiments: His12Ala, His12Lys, His12Lysn and Asp375Ala. MD simulations revealed that only two models (M1 and M3) satisfied the criteria for catalytic competence, where the protonation states of His351 and His373 significantly influenced the relative position between donor and acceptor substrates, as well as the acceptor substrate conformation, adopting extended and packed states. DFT calculations confirmed that these conformations impact the electron density distribution, influencing substrate reactivity. Mutant simulations further supported the experimental data: His12Ala, His12Lys, and Asp375Ala mutants failed to meet the catalytic distance criteria, leading us to infer that these mutations prevented the formation of a reactive enzyme-substrate complex. Conversely, the His12Lysn mutant partially meets the criteria, which could help to explain the catalytic activity of this mutant. These findings provide the first molecular interpretation of the role of key residues in substrate binding and catalysis, which are essential for understanding catalytic activity. Furthermore, they offer new structural insights into residues such as His351/His373, which are often overlooked in GT modeling despite their potential to modulate the Michaelis complex. We hope that these findings will contribute to the rational engineering of more efficient C-GTs for biotechnological applications.</p>","PeriodicalId":96,"journal":{"name":"Organic & Biomolecular Chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143727243","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}