{"title":"Carbonohydrazonoyl dicyanide-linked indole carboxamides as a new scaffold for transmembrane H<sup>+</sup>/Cl<sup>-</sup> transport.","authors":"Akram Raza, Sandip Chattopadhayay, Debashis Mondal, Pinaki Talukdar","doi":"10.1039/d4cc06371f","DOIUrl":"https://doi.org/10.1039/d4cc06371f","url":null,"abstract":"<p><p>Herein, we introduced a series of carbonohydrazonoyl dicyanide-linked indole carboxamide 1a-1c transporters. Detailed mechanistic insight into the transport manifested that superior transporter 1a facilitates the movement of Cl<sup>-</sup> and H<sup>+</sup>/Cl<sup>-</sup> in a non-specific manner <i>via</i> the carrier mode. Geometrical optimization with the [1a + Cl<sup>-</sup>] complex provided an understanding of the Cl<sup>-</sup> ion binding process with the receptor 1a.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447323","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}
Soft MatterPub Date : 2025-02-19DOI: 10.1039/d4sm01464b
Shreyas A Shenoy, Kvs Chaithanya, Pratyush Dayal
{"title":"Shear-induced dynamics of an active Belousov-Zhabotinsky droplet.","authors":"Shreyas A Shenoy, Kvs Chaithanya, Pratyush Dayal","doi":"10.1039/d4sm01464b","DOIUrl":"https://doi.org/10.1039/d4sm01464b","url":null,"abstract":"<p><p>Controlled navigation of self-propelled active matter in complex biological environments has remained a significant challenge in engineering owing to a multitude of interactions that persist in the process. Active droplets, being some of the several synthetic active matters, have garnered significant attention owing to their ability to exhibit dynamic shape changes, self-sustained motion, interact with external stimuli such as flows, and mimic biological active matter. Here, we explore the dynamics of a self-propelled active droplet powered by the oscillatory Belousov-Zhabotinsky (BZ) reaction in the presence of a shear flow. We adapt a multicomponent lattice Boltzmann method (LBM) in conjunction with the phase-field model to simulate the droplet's interaction with the surrounding fluid. We unravel the collective effect of droplet deformation, reaction kinetics, and strength of the surrounding shear flow on droplet dynamics. Our findings depict that the shear flow disrupts the initial isotropic surface tension, and produces concentration nucleation spots in the droplet. The asymmetry thus generated produces Marangoni flow that ultimately propels the droplet. Our findings provide valuable insights into the mechanisms governing active droplet behavior and open new avenues for designing controllable synthetic active matter systems with potential applications in microfluidics, targeted delivery, and biomimetic technologies. In addition, our framework can potentially be integrated with the physics-informed machine learning framework to develop more efficient mesh-free methods.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447369","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}
Jing Wu, Guang Yin, Ji Liu, Zhong-Zhen Yu, Xiaofeng Li
{"title":"Multifunctional solar-driven interfacial evaporation system for simultaneous clean water production and high-value-added ion extraction.","authors":"Jing Wu, Guang Yin, Ji Liu, Zhong-Zhen Yu, Xiaofeng Li","doi":"10.1039/d4mh01857e","DOIUrl":"https://doi.org/10.1039/d4mh01857e","url":null,"abstract":"<p><p>The utilization of solar-driven interfacial evaporation (SIE) technology for clean water production has rapidly expanded, driven by global clean water scarcity and the energy crisis. Recent developments have demonstrated that combining SIE technology with the ion extraction process enables the effective use of abundant sunlight to economically and sustainably harvest high-value minerals from the ocean while simultaneously producing clean water. This synergy not only maximizes resource recovery but also enhances the ecological and economic benefits of solar energy utilization. In this review, we provide a comprehensive overview of the materials and methodologies used in designing multifunctional SIE systems for simultaneous clean water production and high-value ion extraction. The design rationale behind these multifunctional SIE systems, along with various ion extraction strategies and mechanisms, has been thoroughly discussed, identifying both the prevailing challenges and the potential research opportunities in this evolving field. This review aims to highlight the significant potential of SIE technology not only in enhancing clean water availability but also in contributing to sustainable energy and resource management.</p>","PeriodicalId":87,"journal":{"name":"Materials Horizons","volume":" ","pages":""},"PeriodicalIF":12.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soft MatterPub Date : 2025-02-19DOI: 10.1039/d4sm01278j
Saleh Assadi, Samuel C Lamont, Nitin Hansoge, Zhuonan Liu, Victor Crespo-Cuevas, Fay Salmon, Franck J Vernerey
{"title":"Nonaffine motion and network reorganization in entangled polymer networks.","authors":"Saleh Assadi, Samuel C Lamont, Nitin Hansoge, Zhuonan Liu, Victor Crespo-Cuevas, Fay Salmon, Franck J Vernerey","doi":"10.1039/d4sm01278j","DOIUrl":"https://doi.org/10.1039/d4sm01278j","url":null,"abstract":"<p><p>This paper presents a computational model designed to capture the mechanical behavior of entangled polymer networks, described by dynamic and slideable cross-linking junctions. The model adopts a network-level approach, where the polymer chains between junctions are represented by segments exhibiting entropic elasticity, and the sliding of chains through entanglements is governed by a frictional law. Additionally, the model incorporates stochastic processes for the creation and depletion of entanglement junctions, dynamically coupled with sliding mechanics. This framework enables the exploration of the time-dependent mechanical response of entangled polymers with and without covalent cross-links. We apply this model to study the nonlinear rheology of such networks, linking macroscopic stress-strain behavior to the underlying microscopic events within the network. The approach is computationally efficient, making it a useful tool for understanding how network design influences polymer performance in elasticity, rheology, and general mechanical features. This work provides valuable insights into the relationship between molecular-level interactions and the macroscopic properties of entangled polymer systems, with potential applications in the design and optimization of advanced polymer materials.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447365","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}
Soft MatterPub Date : 2025-02-19DOI: 10.1039/d4sm01052c
Parisa Shekari, Pierre Rognon, Benjy Marks
{"title":"Propagation of internal deformations in dense granular flows.","authors":"Parisa Shekari, Pierre Rognon, Benjy Marks","doi":"10.1039/d4sm01052c","DOIUrl":"https://doi.org/10.1039/d4sm01052c","url":null,"abstract":"<p><p>This paper analyses how local deformation develops in dense granular flows. Local kinematic fields including particle velocity fluctuations, local strain, and non-affine deformation are measured in simulated homogeneous shear flows at different inertial numbers <i>I</i>, prescribing the shear strain rate <i></i> and the normal stress. Results evidence that these fields are unsteady and spatially correlated, as previously observed in a wide range of soft materials. They reveal a mechanism of propagation of local deformation by which seed events of particle rearrangements trigger further rearrangements in their vicinity. It appears that this mechanism is strongly dependent on the inertial number, with cluster size and propagation velocity increasing as a power law of <i>I</i> when <i>I</i> → 0. This mechanism can help understand and model some behaviours of granular flows such as non-locality and transient rheology.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447448","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}
Fajun Tian, Zhenzhen Zhou, Junfeng Lu, Chengkui Qiao, Caixia Wang, Tao Pang, Linlin Guo, Jun Li, Rongli Pang, Hanzhong Xie
{"title":"Development and validation of a combined QuEChERS and HPLC-MS/MS method for trace analysis of ten diamide insecticides in agricultural products.","authors":"Fajun Tian, Zhenzhen Zhou, Junfeng Lu, Chengkui Qiao, Caixia Wang, Tao Pang, Linlin Guo, Jun Li, Rongli Pang, Hanzhong Xie","doi":"10.1039/d4ay02117g","DOIUrl":"https://doi.org/10.1039/d4ay02117g","url":null,"abstract":"<p><p>Diamide insecticides are being widely registered worldwide, yet most of them lack established maximum residue limits (MRLs) in agricultural products. In this study, we combined a QuEChERS (quick, easy, cheap, efficient, rugged, and safe) extraction method with high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS) analysis to simultaneously identify and quantify ten diamide insecticides in seven matrices for the first time. The method was validated in accordance with SANTE/11312/2021 guidelines, including sensitivity, linearity, trueness, and precision. Excellent linearity (<i>R</i><sup>2</sup> > 0.99) was obtained for all diamide insecticides within the concentration range of 5-1000 µg kg<sup>-1</sup>. The limit of detection (LOD) and limit of quantification (LOQ) were 0.01-1 µg kg<sup>-1</sup> and 5 µg kg<sup>-1</sup>, respectively. The recoveries of the ten diamide insecticides at three levels (5, 100, and 1000 µg kg<sup>-1</sup>) ranged from 76.6% to 108.2% with good intra-day relative standard deviation (RSD<sub>r</sub>) (1.0-13.4%) and inter-day relative standard deviation (RSD<sub>R</sub>) (2.3-15.7%). The proposed method was applied to analyze 70 real agricultural product samples, and only six samples contained diamide insecticides. The results demonstrated that the method was both convenient and reliable for detecting diamide insecticides in agricultural products. The method was then applied to analyze agricultural product samples collected in a field trial to estimate the MRLs for the next step.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447529","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}
Anahid Rezaeefar, Mir Ali Farajzadeh, Mahboob Nemati, Mohammad Reza Afshar Mogaddam, Farzaneh Lotfipour
{"title":"Retraction: Application of new N- and S-doped amorphous carbon in D-μSPE and its combination with deep eutectic solvent-based DLLME for the extraction of some mycotoxins from soymilk.","authors":"Anahid Rezaeefar, Mir Ali Farajzadeh, Mahboob Nemati, Mohammad Reza Afshar Mogaddam, Farzaneh Lotfipour","doi":"10.1039/d3ay90109b","DOIUrl":"https://doi.org/10.1039/d3ay90109b","url":null,"abstract":"<p><p>Retraction of 'Application of new N- and S-doped amorphous carbon in D-μSPE and its combination with deep eutectic solvent-based DLLME for the extraction of some mycotoxins from soymilk' by Anahid Rezaeefar <i>et al.</i>, <i>Anal. Methods</i>, 2021, <b>13</b>, 4604-4613, https://doi.org/10.1039/D1AY01057C.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447531","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}
Mohammadhossein Dabaghi, Ryan Singer, Alex Noble, Aidee Veronica Arizpe Tafoya, David A González-Martínez, Tamaghna Gupta, Cécile Formosa-Dague, Ivan O Rosas, Martin R Kolb, Yaron Shargall, Jose M Moran-Mirabal, Jeremy A Hirota
{"title":"Influence of lung extracellular matrix from non-IPF and IPF donors on primary human lung fibroblast biology.","authors":"Mohammadhossein Dabaghi, Ryan Singer, Alex Noble, Aidee Veronica Arizpe Tafoya, David A González-Martínez, Tamaghna Gupta, Cécile Formosa-Dague, Ivan O Rosas, Martin R Kolb, Yaron Shargall, Jose M Moran-Mirabal, Jeremy A Hirota","doi":"10.1039/d4bm00906a","DOIUrl":"https://doi.org/10.1039/d4bm00906a","url":null,"abstract":"<p><p>Fibrosis, a pathological hallmark of various chronic diseases, involves the excessive accumulation of extracellular matrix (ECM) components leading to tissue scarring and functional impairment. Understanding how cells interact with the ECM in fibrotic diseases such as idiopathic pulmonary fibrosis (IPF), is crucial for developing effective therapeutic strategies. This study explores the effects of decellularized extracellular matrix (dECM) coatings derived from non-IPF and IPF donor lung tissue samples on the behavior of primary human lung fibroblasts (HLFs). Utilizing a substrate coating method that preserves the diversity of <i>in situ</i> ECM, we studied both the concentration-dependent effects and the intrinsic biochemical cues of ECM on cell morphology, protein expression, mechanobiology biomarkers, and gene expression. Morphological analysis revealed that HLFs displayed altered spreading, shape, and nuclear characteristics in response to dECM coatings relative to control plastic, indicating a response to the physical and biochemical cues. Protein expression studies showed an upregulation of α-smooth muscle actin (α-SMA) in cells interacting with both non-IPF and IPF dECM coatings, that was more prominent at IPF dECM-coated surface. In addition, YAP localization, a marker of mechanotransduction, was also dysregulated on dECM coatings, reflecting changes in mechanical signaling pathways. Gene expression profiles were differentially regulated by the different dECM coatings. The developed dECM coating strategy in this work facilitates the integration of tissue-specific biochemical cues onto standard cell culture platforms, which is ideal for high-throughput screening. Importantly, it minimizes the requirement for human tissue samples, especially when compared to more sample-intensive 3D models like dECM-based hydrogels.</p>","PeriodicalId":65,"journal":{"name":"Biomaterials Science","volume":" ","pages":""},"PeriodicalIF":5.8,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143447532","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}
RSC AdvancesPub Date : 2025-02-19DOI: 10.1039/D4RA07855A
Weiping Shu, Lili Wang, Siqiang Zhang, Ye Liu and Qiang Han
{"title":"Alkali metal lithium doping promotes the high stability and ionic kinetics of cathode materials for sodium-ion batteries†","authors":"Weiping Shu, Lili Wang, Siqiang Zhang, Ye Liu and Qiang Han","doi":"10.1039/D4RA07855A","DOIUrl":"https://doi.org/10.1039/D4RA07855A","url":null,"abstract":"<p >Layered transition metal oxides for sodium-ion batteries are regarded as the most promising cathode materials for commercialization owing to their high theoretical specific capacity, high rate performance, and low cost. However, their drawbacks, such as unfavorable phase transitions, Na<small><sup>+</sup></small>/vacancy disorder, and slow dynamics, seriously hinder their further practical applications. In this work, we prepared a P2-Na<small><sub>0.67</sub></small>Ni<small><sub>0.1</sub></small>Co<small><sub>0.1</sub></small>Mn<small><sub>0.8</sub></small>O<small><sub>2</sub></small> cathode with a heteroatom-substitution doped at the alkali metal position. The unfavorable phase transition was suppressed to a certain extent, and the order of Na<small><sup>+</sup></small>/vacancy was optimized. The initial discharge-specific capacity of the prepared [Na<small><sub>0.57</sub></small>Li<small><sub>0.1</sub></small>]Ni<small><sub>0.1</sub></small>Co<small><sub>0.1</sub></small>Mn<small><sub>0.8</sub></small>O<small><sub>2</sub></small> at 0.1C (1C = 150 mA h g<small><sup>−1</sup></small>) was 151.3 mA h g<small><sup>−1</sup></small>. Doping with the alkali metal Li enhanced the stability of the layered structure, resulting in an improvement in cycling performance, and the capacity retention rate reached 87.9% after 100 cycles. In addition, the material had a stable structure and excellent Na<small><sup>+</sup></small> diffusion coefficient at a high current density of 10C. It also exhibited an excellent rate capacity of 88.2 mA h g<small><sup>−1</sup></small> in an Na half-cell system. Kinetic analysis showed that the increase in Na<small><sup>+</sup></small> diffusion rate was due to the increase in the Na<small><sup>+</sup></small>/vacancy disorder and the rise in Na interlayer spacing.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 8","pages":" 5720-5727"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra07855a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446394","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}
RSC AdvancesPub Date : 2025-02-19DOI: 10.1039/D4RA06510G
Sweta Sharma, Mirza A. Beg, Insha Latief, Jyoti Aboti, Samra Jamal, Pallavi Juneja, Supriya Tanwar, Kalicharan Sharma, Sayeed ur Rehman, Angamuthu Selvapandiyan and Syed Shafi
{"title":"Design, synthesis and biological activity of peptidyl β-nitrostyrenes as cysteine protease inhibitors against Leishmania donovani†","authors":"Sweta Sharma, Mirza A. Beg, Insha Latief, Jyoti Aboti, Samra Jamal, Pallavi Juneja, Supriya Tanwar, Kalicharan Sharma, Sayeed ur Rehman, Angamuthu Selvapandiyan and Syed Shafi","doi":"10.1039/D4RA06510G","DOIUrl":"https://doi.org/10.1039/D4RA06510G","url":null,"abstract":"<p >Cysteine proteases are essential for the survival of <em>Leishmania</em> parasites that cause several clinical forms of leishmaniases. Inhibiting cysteine protease can be a promising strategy against parasitic diseases because of their essential functions in the life cycles of these pathogens. The aim of the present study was to synthesize and evaluate peptidyl -nitrostyrenes as antipromastigote inhibitors against <em>Leishmania donovani</em> promastigotes. A library of 12 peptidyl β-nitrostyrenes was synthesized and evaluated for anti-promastigote activity. Most of the compounds exhibited comparable activity to the standard, with IC<small><sub>50</sub></small> values ranging from 1.468 to 16.81 μM. Notably, compounds <strong>14a</strong>, <strong>14e</strong>, <strong>14f</strong>, and <strong>14g </strong>showed significant activity against both <em>L. donovani</em> promastigotes and intracellular amastigotes. Compounds <strong>14e</strong> and <strong>14f</strong> displayed superior anti-promastigote activity with IC<small><sub>50</sub></small> values of 1.468 μM and 1.551 μM, respectively, compared to the standard (IC<small><sub>50</sub></small> = 3.073 μM). Moreover, compounds <strong>14e</strong> and <strong>14f</strong> demonstrated better inhibitory potential against intracellular amastigotes, with IC<small><sub>50</sub></small> values of 1.28 μM and 0.64 μM, respectively, outperforming AmphoB (IC<small><sub>50</sub></small> = 3.07 μM). Additionally, compounds <strong>14a</strong> and <strong>14g</strong> showed negligible cytotoxicity to mammalian macrophages even at a concentration of 28 μM. Given their high activity, favorable safety profiles, and cost-effective synthesis, this class of compounds holds promise for the development of anti-leishmanial drugs.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 8","pages":" 5703-5719"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra06510g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446393","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}