The Royal Society of Chemistry最新文献_第6页

Boosting the electrochemical performance of the Ni-rich LiNi_0.96Co_0.02Mn_0.02O₂ cathode by high-valence Zr/Mo dual-doping. 通过高价Zr/Mo双掺杂提高富镍LiNi0.96Co0.02Mn0.02O2阴极的电化学性能。

IF 4.3 2区化学

Chemical Communications Pub Date : 2024-11-20 DOI: 10.1039/d4cc04275a

Hongmei Cao, Yudong Zhang, Xunzhu Zhou, Jie Yu, Xiang Chen, Lin Li

引用次数: 0

A multi-scale framework for predicting α-cyclodextrin assembly on polyethylene glycol axles. 预测α-环糊精在聚乙二醇轴上组装的多尺度框架。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm01048e

Cameron D Smith, Chenfeng Ke, Wenlin Zhang

{"title":"A multi-scale framework for predicting α-cyclodextrin assembly on polyethylene glycol axles.","authors":"Cameron D Smith, Chenfeng Ke, Wenlin Zhang","doi":"10.1039/d4sm01048e","DOIUrl":"10.1039/d4sm01048e","url":null,"abstract":"Controlling the distribution of rings on polymer axles, such as α-cyclodextrin (αCD) on polyethylene glycol (PEG), is paramount in imparting robust mechanical properties to slide-ring gels and polyrotaxane-based networks. Previous experiments demonstrated that the functionalization of polymer ends could modulate the coverage of αCDs on PEG. To explore the design rule, we propose a multi-scale framework for predicting αCD assembly on bare and functionalized PEG. Our approach combines all-atom molecular dynamics with two-dimensional (2D) umbrella sampling to compute the free energy landscapes of threading αCDs onto PEG with ends functionalized by various moieties. Together with the predicted free energy landscapes and a lattice treatment for αCD and polymer diffusion in dilute solutions, we construct a kinetic Monte Carlo (kMC) model to predict the number and intra-chain distribution of αCDs along the polymer axle. Our model predicts the effects of chain length, concentration, and threading barrier on the supramolecular structure of end-functionalized polypseudorotaxane. With simple modifications, our approach can be extended to explore the design rule of polyrotaxane-based materials with advanced network architectures.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":"9068-9082"},"PeriodicalIF":2.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602457","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}

引用次数: 0

Outstanding high-temperature capacitive performance in all-organic dielectrics enabled by synergistic optimization of molecular traps and aggregation structures. 通过协同优化分子陷阱和聚集结构，实现全有机电介质的出色高温电容性能。

IF 12.2 2区材料科学

Materials Horizons Pub Date : 2024-11-20 DOI: 10.1039/d4mh01407c

Bo Peng, Pengbo Wang, Hang Luo, Guanghu He, Haoran Xie, Yuan Liu, Sheng Chen, Xiaona Li, Yuting Wan, Ru Guo

{"title":"Outstanding high-temperature capacitive performance in all-organic dielectrics enabled by synergistic optimization of molecular traps and aggregation structures.","authors":"Bo Peng, Pengbo Wang, Hang Luo, Guanghu He, Haoran Xie, Yuan Liu, Sheng Chen, Xiaona Li, Yuting Wan, Ru Guo","doi":"10.1039/d4mh01407c","DOIUrl":"https://doi.org/10.1039/d4mh01407c","url":null,"abstract":"Improving the high-temperature performance of polymer dielectrics is critical for the development of advanced electrical systems. The deterioration of the capacitive performance of polymer dielectrics at high electric fields and elevated temperatures is attributable to the exponentially increased conduction loss. Herein, a synergistic strategy of molecular trap and aggregation structure optimization is developed to suppress the conduction loss of polymer dielectrics. A molecular semiconductor - HAT-CN with high electron-affinity (EA) and special distribution of electrostatic potential is designed in this work. The theoretical calculation and experimental results show that HAT-CN can introduce electron traps and simultaneously interrupt the conjugation between aromatic rings in molecular chains via electrostatic interaction with polyetherimide (PEI). Consequently, the collective effect of electron trap and aggregation structure optimization reduces the leakage current density of PEI by nearly an order of magnitude at 200 °C and improves the mechanical properties of films. Finally, the HAT-CN/PEI all-organic composite achieves a discharge energy density of 3.8 J cm-3 with efficiencies above 90% (Uη>90%) and long-term reliability over 100 000 cycles at 200 °C, outperforming most current polymer dielectrics. This work provides a new idea for the design of high-temperature polymer dielectrics based on molecularly engineered organic semiconductors.","PeriodicalId":87,"journal":{"name":"Materials Horizons","volume":" ","pages":""},"PeriodicalIF":12.2,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142674499","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}

引用次数: 0

Piezo-to-piezo (P2P) conversion: simultaneous β-phase crystallization and poling of ultrathin, transparent and freestanding homopolymer PVDF films via MHz-order nanoelectromechanical vibration. 压电到压电（P2P）转换：通过兆赫级纳米机电振动同时实现超薄、透明和独立均聚聚丙烯聚偏二氟乙烯（PVDF）薄膜的β相结晶和极化。

IF 12.2 2区材料科学

Materials Horizons Pub Date : 2024-11-20 DOI: 10.1039/d4mh00794h

Robert Komljenovic, Peter C Sherrell, Eirini Goudeli, Amgad R Rezk, Leslie Y Yeo

{"title":"Piezo-to-piezo (P2P) conversion: simultaneous β-phase crystallization and poling of ultrathin, transparent and freestanding homopolymer PVDF films via MHz-order nanoelectromechanical vibration.","authors":"Robert Komljenovic, Peter C Sherrell, Eirini Goudeli, Amgad R Rezk, Leslie Y Yeo","doi":"10.1039/d4mh00794h","DOIUrl":"https://doi.org/10.1039/d4mh00794h","url":null,"abstract":"An unconventional yet facile low-energy method for uniquely synthesizing neat poly(vinylidene fluoride) (PVDF) films for energy harvesting applications by utilizing nanoelectromechanical vibration through a 'piezo-to-piezo' (P2P) mechanism is reported. In this concept, the nanoelectromechanical energy from a piezoelectric substrate is directly coupled into another polarizable material (i.e., PVDF) during its crystallization to produce an optically transparent micron-thick film that not only exhibits strong piezoelectricity, but is also freestanding-properties ideal for its use for energy harvesting, but which are difficult to achieve through conventional synthesis routes. We show, particularly through in situ characterization, that the unprecedented acceleration associated with the nanoelectromechanical vibration in the form of surface reflected bulk waves (SRBWs) facilitates preferentially-oriented nucleation of the ferroelectric PVDF β-phase, while simultaneously aligning its dipoles to pole the material through the SRBW's intense native evanescent electric field . The resultant neat (additive-free) homopolymer film synthesized through this low voltage method, which requires only -orders-of-magnitude lower than energy-intensive conventional poling methods utilizing high kV electric potentials, is shown to possess a 76% higher macroscale piezoelectric charge coefficient d33, together with a similar improvement in its power generation output, when compared to gold-standard commercially-poled PVDF films of similar thicknesses.","PeriodicalId":87,"journal":{"name":"Materials Horizons","volume":" ","pages":""},"PeriodicalIF":12.2,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142674500","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}

引用次数: 0

Correction: Controllable biomolecule release from self-assembled organic nanotubes with asymmetric surfaces: pH and temperature dependence. 更正：具有不对称表面的自组装有机纳米管的可控生物分子释放：pH 值和温度依赖性。

IF 2.9 3区化学

Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm90187h

Naohiro Kameta, Hiroyuki Minamikawa, Mitsutoshi Masuda, Go Mizuno, Toshimi Shimizu

引用次数: 0

Next-generation methods for precise pH detection in ocular chemical burns: a review of recent analytical advancements. 用于精确检测眼部化学烧伤 pH 值的新一代方法：最新分析进展综述。

IF 2.7 3区化学

Analytical Methods Pub Date : 2024-11-20 DOI: 10.1039/d4ay01178c

H H P Benuwan Sandaruwan, Danushika C Manatunga, Renuka N Liyanage, Narahenpitage Pabakara Costha, Rohan S Dassanayake, Ruchire Eranga Wijesinghe, Yang Zhou, Yuanyuan Liu

{"title":"Next-generation methods for precise pH detection in ocular chemical burns: a review of recent analytical advancements.","authors":"H H P Benuwan Sandaruwan, Danushika C Manatunga, Renuka N Liyanage, Narahenpitage Pabakara Costha, Rohan S Dassanayake, Ruchire Eranga Wijesinghe, Yang Zhou, Yuanyuan Liu","doi":"10.1039/d4ay01178c","DOIUrl":"https://doi.org/10.1039/d4ay01178c","url":null,"abstract":"Ocular burns due to accidental chemical spillage pose an immediate threat, representing over 20% of emergency ocular traumas. Early detection of the ocular pH is imperative in managing ocular chemical burns. Alkaline chemical burns are more detrimental than acidic chemical burns. Current practices utilize litmus, nitrazine strips, bromothymol blue, fluorescent dyes, and micro-combination glass probes to detect ocular pH. However, these methods have inherent drawbacks, leading to inaccurate pH measurements, less sensitivity, photodegradation, limited pH range, and longer response time. Hence, there is a tremendous necessity for developing relatively simple, accurate, precise ocular pH detection methods. The current review aims to provide comprehensive coverage of the conventional practices of ocular pH measurement during accidental chemical burns, highlighting their strengths and weaknesses. Besides, it delves into cutting-edge technologies, including pH-sensing contact lenses, microfluidic contact lenses, fluorescent scleral contact lenses, fiber optic pH technology, and pH-sensitive thin films. The study meticulously examines the reported work since 2000. The collected data have also helped propose future directions, and the research gap needs to be filled to provide a more rapid, sensitive, and accurate measurement of ocular pH in eye clinics. For the first time, this review consolidates current techniques and recent advancements in ocular pH detection, offering a strategic overview to propel ophthalmic-related research forward and enhance ocular burn management during a chemical spillage.","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142674545","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}

引用次数: 0

Synthesis of aryl fluorocyclopropanes from aryl fluorodiazirines and alkenes in continuous flow. 用芳基氟二氮杂环烷和烯烃在连续流中合成芳基氟环丙烷。

IF 4.3 2区化学

Chemical Communications Pub Date : 2024-11-20 DOI: 10.1039/d4cc01881h

Hoang-Minh To, Shima Mirakhorli, Thierry Ollevier

引用次数: 0

Investigation of the hypoglycemic bioactive components of Phyllanthi Fructus through biological assessment combined with ultrafiltration affinity mass spectrometry. 通过生物评估结合超滤亲和质谱法研究菲兰提果的降血糖生物活性成分。

IF 5.1 1区农林科学

Food & Function Pub Date : 2024-11-20 DOI: 10.1039/d4fo04198d

Yifan Zhang, Qiang Yu, Peng Tan, Shimin Tian, Junzhi Lin, Mengqi Li, Li Han, Haozhou Huang, Dingkun Zhang

{"title":"Investigation of the hypoglycemic bioactive components of Phyllanthi Fructus through biological assessment combined with ultrafiltration affinity mass spectrometry.","authors":"Yifan Zhang, Qiang Yu, Peng Tan, Shimin Tian, Junzhi Lin, Mengqi Li, Li Han, Haozhou Huang, Dingkun Zhang","doi":"10.1039/d4fo04198d","DOIUrl":"https://doi.org/10.1039/d4fo04198d","url":null,"abstract":"Phyllanthi Fructus (PF) is a tropical fruit with the potential to effectively reduce postprandial blood glucose. However, the lack of quantitative evaluation methods and comprehensive understanding of hypoglycemic active compounds has hindered the development and application of functional foods and dietary supplements derived from PF. In this study, based on the \"mass reaction parallel line method\", with acarbose as the control and PF extract as the test material, a biological evaluation method for PF hypoglycemic activity based on α-glucosidase inhibition was established for the first time. The in vitro and in vivo validation experiments showed that the coefficient (r) of correlation between the biological evaluation results and the AUC of rat postprandial blood glucose concentration was as high as 0.866, which confirmed the reliability of the evaluation method. The analysis of 20 batches of PF samples showed that the hypoglycemia potency of PF ranged from 2.66 to 8.39 U mg-1, with an average value of 4.00 U mg-1, and the standard deviation was 1.5. UF-LC-MS was used to identify 36 components of PF capable of binding to α-glucosidase. Molecular docking results showed that the binding energy was between -3.5 and -14.3 kJ mol-1. The hypoglycemic activity of 17 available control products was tested, and 8 inhibitors were found, including hyperoside, gallic acid, and corilagin. Dose-effect analysis suggested that flavonoids and polyphenols with a phenolic hydroxyl structure could inhibit α-glucosidase. In short, this study provides a basis for the development of PF hypoglycemic functional foods.","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.1,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142674583","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}

引用次数: 0

Geometrical impacts of platonic particles on nematic liquid crystal dynamics. 柏拉图粒子对向列液晶动力学的几何影响

IF 2.9 3区化学

Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm00870g

Stiven Villada-Gil, Monirosadat Sadati, Juan D Ospina-Correa, Daniel A Olaya-Muñoz, Juan P Hernández-Ortiz, José A Martínez-González

引用次数: 0

Correction: Spin-dependent Seebeck effect in zigzag-edge antimonene nanoribbons. 更正：之字边锑纳米带中的自旋依赖性塞贝克效应。

IF 2.9 3区化学

Physical Chemistry Chemical Physics Pub Date : 2024-11-20 DOI: 10.1039/d4cp90183e

Liyan Lin, Yue Jiang, Xinyi Gao, Yandong Guo, Hongli Zeng, Xiaohong Yan

引用次数: 0