Molecular Systems Design & Engineering最新文献

筛选
英文 中文
Curved confinement directs anchoring-mediated structural transitions in highly chiral liquid crystal shells 在高手性液晶壳中,弯曲约束指导锚定介导的结构转变
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-08-01 DOI: 10.1039/D5ME00070J
Sepideh Norouzi, Jeremy Money, Stiven Villada-Gil, José A. Martínez-González and Monirosadat Sadati
{"title":"Curved confinement directs anchoring-mediated structural transitions in highly chiral liquid crystal shells","authors":"Sepideh Norouzi, Jeremy Money, Stiven Villada-Gil, José A. Martínez-González and Monirosadat Sadati","doi":"10.1039/D5ME00070J","DOIUrl":"https://doi.org/10.1039/D5ME00070J","url":null,"abstract":"<p >Cholesteric liquid crystals (CLCs) confined in curved geometries exhibit a rich spectrum of defect-mediated morphologies governed by the interplay between chirality, curvature, surface anchoring, and confinement. This study systematically investigates structural transitions in highly chiral CLC shells under asymmetric anchoring conditions, focusing on the effects of shell thickness and curvature on pitch axis reorientation and defect formation. Utilizing microfluidic techniques, we generate core–shell droplets with independently tunable anchoring at inner and outer aqueous interfaces. Transitioning from planar–planar to planar-homeotropic boundary conditions <em>via</em> surfactant-mediated modulation induces profound reorganizations in the director field, giving rise to focal conic domains (FCDs), stripe patterns, and hybrid textures. Optical microscopy reveals that thicker shells favor coherent FCD nucleation, while thinner shells exhibit asymmetric, fragmented domains due to increased spatial frustration and constrained elastic relaxation. In small-diameter shells, high curvature suppresses defect nucleation, promoting the emergence of periodic stripe textures as an energetically favorable alternative. Complementary continuum simulations based on the Landau–de Gennes framework reproduce experimental trends, highlighting anchoring energy thresholds that delineate morphological regimes and confirm the dominance of curvature in stabilizing non-defect-based modulations. The ability to engineer defect architectures and direct pitch axis orientation <em>via</em> geometrical and boundary condition control can open new avenues for designing responsive and reconfigurable optical materials and photonic elements.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 836-847"},"PeriodicalIF":3.2,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/me/d5me00070j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of corrosion inhibitor performance under droplet conditions on steel† 液滴条件下对钢†的缓蚀剂性能评价
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-29 DOI: 10.1039/D5ME00050E
Chathumini Samarawickrama, Sebastian Pöhlker, Philipp Eiden, Xiaobo Chen, Paul White, Patrick Keil and Ivan Cole
{"title":"Evaluation of corrosion inhibitor performance under droplet conditions on steel†","authors":"Chathumini Samarawickrama, Sebastian Pöhlker, Philipp Eiden, Xiaobo Chen, Paul White, Patrick Keil and Ivan Cole","doi":"10.1039/D5ME00050E","DOIUrl":"https://doi.org/10.1039/D5ME00050E","url":null,"abstract":"<p >Corrosion inhibitors play a crucial role in mitigating metal degradation, yet their performance varies significantly depending on environmental conditions and application methods. This study employs a high-throughput methodology utilising volume loss measurements <em>via</em> optical profilometry to assess corrosion inhibitor efficiency. A comparative analysis between the droplet-on-plate and full-immersion testing methods is conducted to evaluate their impacts on inhibitor performance using optical profilometry. The research delves into the chemistry of corrosion inhibitors specifically designed for droplet corrosion, where benzothiazole derivatives performed well in both environments, whereas thiazole derivatives exhibited weaker performance under droplet conditions, whilst focusing on how pH gradients evolve within a droplet over time and influence corrosion inhibitor effectiveness. Results indicate that localised pH variations significantly alter the adsorption behaviour and stability of corrosion inhibitors, affecting their protective capabilities. Furthermore, the interactions between corrosion inhibitors and oxide layers are explored, revealing that anodic inhibitors tend to accumulate around corrosion pits, suggesting a selective protection mechanism. Those findings provide critical insights into optimising corrosion inhibitor formulations and testing methodologies for sound corrosion assessments.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 880-897"},"PeriodicalIF":3.2,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discovery of metal–organic frameworks for inverse CO2/C2H2 separation by synergizing molecular simulation and machine learning† 通过分子模拟和机器学习的协同作用发现CO2/C2H2逆分离的金属-有机框架
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-28 DOI: 10.1039/D5ME00060B
Daohui Zhao, Mao Wang, Zhiming Zhang and Jianwen Jiang
{"title":"Discovery of metal–organic frameworks for inverse CO2/C2H2 separation by synergizing molecular simulation and machine learning†","authors":"Daohui Zhao, Mao Wang, Zhiming Zhang and Jianwen Jiang","doi":"10.1039/D5ME00060B","DOIUrl":"https://doi.org/10.1039/D5ME00060B","url":null,"abstract":"<p >Separation of carbon dioxide (CO<small><sub>2</sub></small>) from acetylene (C<small><sub>2</sub></small>H<small><sub>2</sub></small>) represents a significant challenge in the petrochemical industry, primarily due to their similar physicochemical properties. By synergizing molecular simulation (MS) and machine learning (ML), in this study, we aim to discover top-performing metal–organic frameworks (MOFs) for inverse CO<small><sub>2</sub></small>/C<small><sub>2</sub></small>H<small><sub>2</sub></small> separation. Initially, the adsorption of a CO<small><sub>2</sub></small>/C<small><sub>2</sub></small>H<small><sub>2</sub></small> mixture in MOFs from the Cambridge Structural Database (CSD) is evaluated through MS, structure–performance relationships are constructed, and top-performing CSD MOFs are shortlisted. Subsequently, ML models are trained by utilizing pore geometry, framework chemistry, as well as adsorption heat and Henry's constant as descriptors. The significance of these descriptors is quantitatively assessed through Gini impurity measures and Shapley additive explanations. Finally, the transferability of the ML models is evaluated through out-of-sample predictions for CO<small><sub>2</sub></small>/C<small><sub>2</sub></small>H<small><sub>2</sub></small> separation in the computation-ready experimental (CoRE) MOFs. Notably, a handful of CoRE MOFs are found to outperform the best CSD MOFs and their performance is further compared with existing literature. The synergized MS and ML approach in this study is anticipated to accelerate the discovery of MOFs in a large chemical space for CO<small><sub>2</sub></small>/C<small><sub>2</sub></small>H<small><sub>2</sub></small> separation and other important separation processes.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 734-745"},"PeriodicalIF":3.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Outstanding Reviewers for Molecular Systems Design & Engineering in 2024 2024年分子系统设计与工程杰出评审员
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-21 DOI: 10.1039/D5ME90025E
{"title":"Outstanding Reviewers for Molecular Systems Design & Engineering in 2024","authors":"","doi":"10.1039/D5ME90025E","DOIUrl":"https://doi.org/10.1039/D5ME90025E","url":null,"abstract":"<p >We would like to take this opportunity to thank all of <em>Molecular Systems Design &amp; Engineering</em>'s (<em>MSDE</em>) reviewers for helping to preserve quality and integrity in chemical science literature. We would also like to highlight the Outstanding Reviewers for <em>MSDE</em> in 2024.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 691-691"},"PeriodicalIF":3.2,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simulation and experimental evaluation of a freestanding triboelectric layer nanogenerator for self-powered electronics† 一种用于自供电电子器件的独立摩擦电层纳米发电机的仿真与实验评价
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-18 DOI: 10.1039/D5ME00055F
Kuldeep Singh, Akshpreet Kaur, Preetika Sharma and Gaurav Sapra
{"title":"Simulation and experimental evaluation of a freestanding triboelectric layer nanogenerator for self-powered electronics†","authors":"Kuldeep Singh, Akshpreet Kaur, Preetika Sharma and Gaurav Sapra","doi":"10.1039/D5ME00055F","DOIUrl":"https://doi.org/10.1039/D5ME00055F","url":null,"abstract":"<p >With the world swiftly evolving towards technology, the relentless quest for sustainable energy sources has garnered significant attention. Amidst the scientific advancements, triboelectric nanogenerators (TENGs) have emerged as a beacon of hope, providing a promising solution through energy generation from the ambient environment. This paper focuses on the development of a freestanding triboelectric layer (FTL) TENG for increasing output power energy by incorporating a PTFE layer. A comprehensive investigation is performed that involves mathematical modeling and COMSOL simulation of the FTL TENG. Experimentally, the novel FTL TENG is designed and fabricated using fur and PTFE/Cu electrodes. The results show a two-fold enhancement in the performance of the FTL TENG upon incorporating a PTFE layer over copper electrodes. The simulation results accurately predict voltage build up under open-circuit conditions and substantial current flow under short-circuit conditions, closely mirroring experimental results. The study also demonstrates the practicality of the FTL TENG in powering electronic devices through successful capacitor charging. This research underscores the FTL TENG's reliability as a clean and sustainable energy harvesting solution with potential applications across various fields, thereby illuminating the path towards self-powered electronic devices.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 746-754"},"PeriodicalIF":3.2,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of molecular tailoring of benzo[1,2-b:5,4-b′]dithiophene derivatives via side chain substitution on solution-processable organic field-effect transistors† 苯并[1,2-b:5,4-b ']二噻吩衍生物侧链取代分子裁剪对溶液可加工有机场效应晶体管的影响
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-17 DOI: 10.1039/D5ME00090D
Hwijoong Kim, Hongseok Jang, Jae-Jin Lee, Suk-Won Choi, Choongik Kim and SungYong Seo
{"title":"Impact of molecular tailoring of benzo[1,2-b:5,4-b′]dithiophene derivatives via side chain substitution on solution-processable organic field-effect transistors†","authors":"Hwijoong Kim, Hongseok Jang, Jae-Jin Lee, Suk-Won Choi, Choongik Kim and SungYong Seo","doi":"10.1039/D5ME00090D","DOIUrl":"https://doi.org/10.1039/D5ME00090D","url":null,"abstract":"<p >In this study, we report an investigation of the impact of molecular engineering through asymmetrical side chain substitution on the semiconducting performance of benzo[1,2-<em>b</em>:5,4-<em>b</em>′]dithiophene (BDT) derivatives in solution-processable organic field-effect transistors (OFETs). Pristine (2-(thiophen-2-yl)benzo[1,2-<em>b</em>:5,4-<em>b</em>′]dithiophene; compound <strong>1</strong>), linear octyl-substituted (2-(5-octylthiophen-2-yl)benzo[1,2-<em>b</em>:5,4-<em>b</em>′]dithiophene; compound <strong>2</strong>), and branched 2-ethylhexyl-substituted (2-(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-<em>b</em>:5,4-<em>b</em>′]dithiophene; compound <strong>3</strong>) BDT derivatives were synthesized and characterized to evaluate the role of alkyl side chains in modulating thermal, optical, electrochemical, and charge transport properties. Despite the improved solubility and thermal stability observed for the alkylated derivatives, compound <strong>1</strong> without any side chains exhibited the highest field-effect mobility of up to 0.024 cm<small><sup>2</sup></small> V<small><sup>−1</sup></small> s<small><sup>−1</sup></small> and superior thin-film crystallinity. Our results demonstrate that excessive steric hindrance induced by bulky side chains can disrupt molecular packing and degrade OFET performance. This work highlights the importance of precise side chain engineering for optimizing the balance between solution-processability and charge transport in organic semiconductors.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 868-879"},"PeriodicalIF":3.2,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational investigation of the impact of metal–organic framework topology on hydrogen storage capacity† 金属-有机骨架拓扑结构对储氢能力影响的计算研究
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-15 DOI: 10.1039/D5ME00078E
Kunhuan Liu, Haoyuan Chen, Timur Islamoglu, Andrew S. Rosen, Xijun Wang, Omar K. Farha and Randall Q. Snurr
{"title":"Computational investigation of the impact of metal–organic framework topology on hydrogen storage capacity†","authors":"Kunhuan Liu, Haoyuan Chen, Timur Islamoglu, Andrew S. Rosen, Xijun Wang, Omar K. Farha and Randall Q. Snurr","doi":"10.1039/D5ME00078E","DOIUrl":"https://doi.org/10.1039/D5ME00078E","url":null,"abstract":"<p >Metal–organic frameworks (MOFs) are promising, tunable materials for hydrogen storage. For application under cryogenic operating conditions, past work has run into a ceiling on performance due to a trade-off in the volumetric deliverable capacity (VDC) <em>versus</em> the gravimetric deliverable capacity (GDC). In this study, we computationally constructed and screened 105 230 MOF structures based on 529 nets to explore the effect of underlying topology on the hydrogen storage performance of the resulting materials. A machine learning model was developed based on simulated hydrogen uptake to facilitate screening of the entire dataset, and it successfully identified the top 10% of materials with a root-mean-square error of approximately 1 g L<small><sup>−1</sup></small> as validated by subsequent grand canonical Monte Carlo simulations. We identified a promising structure based on the <strong>tsx</strong> topology that exhibits both VDC and GDC higher than the current benchmark material, MOF-5. Our data-driven analysis indicates that nets with higher net density yield MOFs with enhanced volumetric and gravimetric surface areas, thereby improving maximum VDC while shifting the capacity trade-off toward higher GDC.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 817-835"},"PeriodicalIF":3.2,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/me/d5me00078e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Laterally shifted dipole effect on the three-dimensional microstructures of Janus magnetic colloidal suspensions† 横移偶极子效应对Janus磁性胶体悬浮液三维微观结构的影响
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-10 DOI: 10.1039/D5ME00029G
Jose F. Menacho-Abanto, Ubaldo M. Córdova-Figueroa and Ronal A. DeLaCruz-Araujo
{"title":"Laterally shifted dipole effect on the three-dimensional microstructures of Janus magnetic colloidal suspensions†","authors":"Jose F. Menacho-Abanto, Ubaldo M. Córdova-Figueroa and Ronal A. DeLaCruz-Araujo","doi":"10.1039/D5ME00029G","DOIUrl":"https://doi.org/10.1039/D5ME00029G","url":null,"abstract":"<p >The three-dimensional microstructures of a dilute suspension of magnetic Janus colloids with a magnetic dipole laterally displaced from their center were studied using Brownian dynamics simulations. The microstructure and aggregation properties were obtained from the temporal evolution of the positions and orientations of the colloidal particles. The mean average cluster size, the nucleation and growth process, the cluster size distribution, the orientational distribution, and the effective radius of the clusters were evaluated for different values of Janus balance, <em>i.e.</em>, the lateral dipolar shift (<em>s</em>)—dimensionless with the particle radius and taking values in the range of 0 ≤ <em>s</em> ≤ 1. At small dipolar shifts (<em>s</em> → 0), chain- and ring-shaped structures are formed that are typically observed in particles with a centered dipole (<em>s</em> = 0). However, at intermediate dipolar shifts (0.2 ≤ <em>s</em> ≤ 0.4), structures mainly form vesicles that in some cases coexist with rings and spherical micelles. Finally, for <em>s</em> &gt; 0.4, spherical micelles are observed that progressively decrease in size as <em>s</em> increases until clusters of 2 or 3 particles are reached. For intermediate and high dipolar shifts, the typical power-law aggregation is broken down, and the system saturates to a few particles per cluster. Therefore, the observed structural behavior could allow the better design of drug delivery encapsulation materials or, in turn, suspensions designed with high stability. This study suggests that new magnetic fluids can be designed by controlling the dipolar displacement of their component particles thereby influencing their microstructure and consequent macroscopic properties.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 722-733"},"PeriodicalIF":3.2,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lifecycle analysis of nanotechnology-enhanced soft materials in the circular economy 循环经济中纳米技术增强软材料的生命周期分析
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-07-08 DOI: 10.1039/D5ME00067J
Sanduni Dabare, Sisitha Rajapaksha and Imalka Munaweera
{"title":"Lifecycle analysis of nanotechnology-enhanced soft materials in the circular economy","authors":"Sanduni Dabare, Sisitha Rajapaksha and Imalka Munaweera","doi":"10.1039/D5ME00067J","DOIUrl":"https://doi.org/10.1039/D5ME00067J","url":null,"abstract":"<p >Nanotechnology-enhanced soft materials, ranging from polymers and gels to bio-based composites, offer improved functionality and durability across diverse sectors. As their use grows, assessing their environmental sustainability within the circular economy framework is critical. This study applies life cycle assessment (LCA) to evaluate the environmental impacts of these materials across production, use, and end-of-life stages. Findings reveal that while nanomaterials often incur high production impacts, especially in energy use and toxicity, their enhanced performance can offset these burdens during use. Green synthesis, renewable energy, and design-for-environment strategies show promise in reducing lifecycle impacts. This is the first conceptual review that systematically maps nanomaterial design features, such as synthesis routes, surface properties, and morphologies, to environmental performance metrics including energy use, toxicity, and end-of-life behavior. This study uniquely integrates a keyword co-occurrence analysis using the PRISMA methodology to identify thematic research clusters and underexplored intersections between nanotechnology, life cycle analysis, and circular economy. The network and density visualization maps provide further critical insights into the existing knowledge paving the path towards identification of underexplored keywords. By combining bibliometric analysis with design-performance mapping, this work pioneers a novel framework to guide future interdisciplinary research and sustainability assessments in the field. However, methodological gaps in LCA, such as the lack of nano-specific data and characterization factors, hinder comprehensive assessment. The study emphasizes the need for improved LCA models, stakeholder collaboration, and innovation management to support the sustainable integration of nanotechnology in circular value chains.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 10","pages":" 799-816"},"PeriodicalIF":3.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The evolution of antifreeze proteins and the inspiration for the development of novel antifreeze materials 抗冻蛋白的演变及其对新型抗冻材料开发的启示
IF 3.2 3区 工程技术
Molecular Systems Design & Engineering Pub Date : 2025-06-30 DOI: 10.1039/D5ME00045A
Yihang Gao, Caixia Han and Jianjun Wang
{"title":"The evolution of antifreeze proteins and the inspiration for the development of novel antifreeze materials","authors":"Yihang Gao, Caixia Han and Jianjun Wang","doi":"10.1039/D5ME00045A","DOIUrl":"https://doi.org/10.1039/D5ME00045A","url":null,"abstract":"<p >Uncontrolled ice formation poses a significant problem in various industries from atmospheric physics to cryobiology. Therefore, ice controlling strategies including regulating ice nucleation and controlling ice recrystallization and growth are highly pursued. In nature, antifreeze proteins (AFPs) exist in many cold-acclimated species, which can effectively control the size and shape of ice crystals, thus minimizing the deleterious effects of ice. Understanding how nature has evolved AFPs to adapt organisms to cold environments is crucial for guiding the design of novel antifreeze materials by human beings. Herein, we critically reviewed the evolutionary models underlying the development of AFPs, including escape from adaptive conflict (EAC) (primarily involving type III AFPs and Antarctic antifreeze glycoproteins, AFGPs), <em>de novo</em> evolution (exemplified by Arctic codfish AFGPs), horizontal gene transfer (HGT) (represented by type II AFPs and the DUF3494 family), and convergent evolution (predominantly involving type I AFPs and AFGPs). Furthermore, strategies for designing and fabricating bio-inspired antifreeze materials that mirror these evolutionary processes are also discussed. We anticipate that the insights presented here will inspire and aid in the identification of material design strategies for the future development of novel antifreeze materials.</p>","PeriodicalId":91,"journal":{"name":"Molecular Systems Design & Engineering","volume":" 9","pages":" 692-721"},"PeriodicalIF":3.2,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","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:604180095
Book学术官方微信