ACS Macro Letters最新文献_第10页

Insights into the Thermal Expansion of Amorphous Polymers 对无定形聚合物热膨胀的见解

IF 5.8

ACS Macro Letters Pub Date : 2024-10-24 DOI: 10.1021/acsmacrolett.4c00574

Sungoh Eim, Seungyun Jo, Junsu Kim, Sungmin Park, Dongjun Lee, Thomas P. Russell, Du Yeol Ryu

引用次数: 0

Insights into the Thermal Expansion of Amorphous Polymers 对无定形聚合物热膨胀的见解

IF 5.1

ACS Macro Letters Pub Date : 2024-10-24 DOI: 10.1021/acsmacrolett.4c0057410.1021/acsmacrolett.4c00574

Sungoh Eim, Seungyun Jo, Junsu Kim, Sungmin Park, Dongjun Lee, Thomas P. Russell* and Du Yeol Ryu*,

{"title":"Insights into the Thermal Expansion of Amorphous Polymers","authors":"Sungoh Eim, Seungyun Jo, Junsu Kim, Sungmin Park, Dongjun Lee, Thomas P. Russell* and Du Yeol Ryu*, ","doi":"10.1021/acsmacrolett.4c0057410.1021/acsmacrolett.4c00574","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00574https://doi.org/10.1021/acsmacrolett.4c00574","url":null,"abstract":"We investigated the thermal expansion of amorphous polystyrene (PS) and poly(methyl methacrylate) (PMMA) homopolymers using the temperature dependence of spatial electron-density correlations. The strong and broad X-ray interference maxima arising from inter- and intramolecular correlation distances were distinct, maintaining their shape during the heating of the samples to 250 °C. Three maxima characteristic of electron density correlations between the backbones, substituents along the chain, and repeat-units were observed. A remarkable temperature dependence was identified in the largest correlation distances arising from the intermolecular interactions. Based on the temperature dependence of the correlation distances, the coefficients of molecular expansion were very close to the coefficients of thermal expansion. This study provides a simple yet accurate way to correlate macroscopic volume expansions with the molecular expansion obtained from wide-angle X-ray scattering (WAXS) data.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"13 11","pages":"1490–1494 1490–1494"},"PeriodicalIF":5.1,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design and Modulation of Negative Thermal Expansion for Epoxy Polymers 环氧聚合物负热膨胀的设计与调制

IF 5.8

ACS Macro Letters Pub Date : 2024-10-23 DOI: 10.1021/acsmacrolett.4c00578

Jiajun Li, Zaiping Zou, Yingsheng Lai, Yeping Wu, Mao Chen, Xiuli Zhao, Zhongtao Chen

引用次数: 0

Design and Modulation of Negative Thermal Expansion for Epoxy Polymers 环氧聚合物负热膨胀的设计与调制

IF 5.1

ACS Macro Letters Pub Date : 2024-10-23 DOI: 10.1021/acsmacrolett.4c0057810.1021/acsmacrolett.4c00578

Jiajun Li, Zaiping Zou, Yingsheng Lai, Yeping Wu, Mao Chen, Xiuli Zhao* and Zhongtao Chen*,

{"title":"Design and Modulation of Negative Thermal Expansion for Epoxy Polymers","authors":"Jiajun Li, Zaiping Zou, Yingsheng Lai, Yeping Wu, Mao Chen, Xiuli Zhao* and Zhongtao Chen*, ","doi":"10.1021/acsmacrolett.4c0057810.1021/acsmacrolett.4c00578","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00578https://doi.org/10.1021/acsmacrolett.4c00578","url":null,"abstract":"Modulating the coefficient of thermal expansion (CTE) and realizing low or negative thermal expansion (NTE) for epoxy polymers are challenging issues. In this study, we developed an effective strategy to prepare epoxy polymers with an NTE performance. A novel motif DBCOD-NH2 based on the dibenzocyclooctadiene (DBCOD) was designed, synthesized, and utilized as a curing agent for several commercial epoxy resins. DBCOD-NH2 suppressed the thermal expansion of the epoxy polymer due to the conformational transition of DBCOD from boat to chair, resulting in low or negative CTE. The AFG90-based polymer showed the most significant thermal contraction behavior (−43.6 ppm/K, 40–80 °C) in the glassy state due to the high DBCOD content, chain rigidity, and cross-link density, which resulted from the high epoxy values, rigidity, and functionality of AFG90 resins. The structure–property interactions were examined and applied to modulate the NTE of epoxy polymers. Our findings are useful for the regulation of thermal expansion and the preparation of materials with desired CTE values.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"13 11","pages":"1483–1489 1483–1489"},"PeriodicalIF":5.1,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Inhibition of α-Synuclein Misfolding into β-Sheet Domains on Medium-Sized Gold Nanoclusters: Evidence from Enhanced Sampling MD Simulations 中等尺寸金纳米团簇抑制α-突触核蛋白错折叠成β片状结构域：来自增强采样 MD 模拟的证据

IF 5.1

ACS Macro Letters Pub Date : 2024-10-22 DOI: 10.1021/acsmacrolett.4c0053310.1021/acsmacrolett.4c00533

Shuai Gong, Guanbin Gao*, Taolei Sun* and Lei Shen*,

{"title":"Inhibition of α-Synuclein Misfolding into β-Sheet Domains on Medium-Sized Gold Nanoclusters: Evidence from Enhanced Sampling MD Simulations","authors":"Shuai Gong, Guanbin Gao*, Taolei Sun* and Lei Shen*, ","doi":"10.1021/acsmacrolett.4c0053310.1021/acsmacrolett.4c00533","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00533https://doi.org/10.1021/acsmacrolett.4c00533","url":null,"abstract":"Targeting Parkinson’s disease (PD) related protein, α-synuclein (αS), via gold nanoclusters (AuNCs) has received considerable attention in PD treatments, but its molecular basis on the initial interactions between αS and AuNCs remains elusive due to the absence of a unique secondary structure of αS chains. Here, at the single-cluster level, we incorporate well-tempered metadynamics simulations to explore the structural and thermodynamic characteristics of the full length αS adsorbed on different-sized AuNCs (Aun, n = 25, 36, 44, 68, 102) with modeled thiolated ligands (Aun@Lig). The conformational landscapes of αS indicate that uncharged Aun@SCH2OH chaperones the native intrinsically disordered conformations of αS, while negatively and positively charged AuNCs greatly increase the likelihood of forming intramolecular β-sheet domains, which are necessary for αS fibrillation and are a hallmark of PD. The binding details further demonstrate the significant inhibitory effect of the medium-sized Au36@SCH2OH on αS misfolding into β-sheet domains. This provides a valuable guideline for customizing AuNCs to precisely manipulate protein folding and misfolding behaviors, with potential implications for disease treatments.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"13 11","pages":"1476–1482 1476–1482"},"PeriodicalIF":5.1,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Inhibition of α-Synuclein Misfolding into β-Sheet Domains on Medium-Sized Gold Nanoclusters: Evidence from Enhanced Sampling MD Simulations 中等尺寸金纳米团簇抑制α-突触核蛋白错折叠成β片状结构域：来自增强采样 MD 模拟的证据

IF 5.8

ACS Macro Letters Pub Date : 2024-10-22 DOI: 10.1021/acsmacrolett.4c00533

Shuai Gong, Guanbin Gao, Taolei Sun, Lei Shen

{"title":"Inhibition of α-Synuclein Misfolding into β-Sheet Domains on Medium-Sized Gold Nanoclusters: Evidence from Enhanced Sampling MD Simulations","authors":"Shuai Gong, Guanbin Gao, Taolei Sun, Lei Shen","doi":"10.1021/acsmacrolett.4c00533","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00533","url":null,"abstract":"Targeting Parkinson’s disease (PD) related protein, α-synuclein (αS), via gold nanoclusters (AuNCs) has received considerable attention in PD treatments, but its molecular basis on the initial interactions between αS and AuNCs remains elusive due to the absence of a unique secondary structure of αS chains. Here, at the single-cluster level, we incorporate well-tempered metadynamics simulations to explore the structural and thermodynamic characteristics of the full length αS adsorbed on different-sized AuNCs (Aun, n = 25, 36, 44, 68, 102) with modeled thiolated ligands (Aun@Lig). The conformational landscapes of αS indicate that uncharged Aun@SCH2OH chaperones the native intrinsically disordered conformations of αS, while negatively and positively charged AuNCs greatly increase the likelihood of forming intramolecular β-sheet domains, which are necessary for αS fibrillation and are a hallmark of PD. The binding details further demonstrate the significant inhibitory effect of the medium-sized Au36@SCH2OH on αS misfolding into β-sheet domains. This provides a valuable guideline for customizing AuNCs to precisely manipulate protein folding and misfolding behaviors, with potential implications for disease treatments.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"66 1","pages":""},"PeriodicalIF":5.8,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142486763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Room-Temperature Synthesis of a Fluorine-Functionalized Nanoporous Organic Polymer for Highly Efficient SF6 Adsorption and Separation 用于高效吸附和分离 SF6 的氟官能化纳米多孔有机聚合物的室温合成

IF 5.8

ACS Macro Letters Pub Date : 2024-10-21 DOI: 10.1021/acsmacrolett.4c00559

Sihan Tong, Lu Yao, Qilin Wang, Jiangli Zhu, Zefeng Wang, Jun Yan

{"title":"Room-Temperature Synthesis of a Fluorine-Functionalized Nanoporous Organic Polymer for Highly Efficient SF6 Adsorption and Separation","authors":"Sihan Tong, Lu Yao, Qilin Wang, Jiangli Zhu, Zefeng Wang, Jun Yan","doi":"10.1021/acsmacrolett.4c00559","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00559","url":null,"abstract":"Sulfur hexafluoride (SF6) is widely used in the power industry and significantly contributes to the greenhouse effect, necessitating the development of efficient materials for SF6 capture, particularly fluorine-containing materials. However, existing fluorine-containing materials often require complex monomers and high synthesis temperatures. Herein, we report the synthesis of a fluorine-functionalized carbazole-based nanoporous organic polymer (CNOP-7) at room temperature, using commercially available 4,4′-bis(9H-carbazole-9-yl)-1,1′-biphenyl and 1,1,1-trifluoroacetone. CNOP-7 contains 14.7% fluorine atoms and exhibits a high specific surface area of 1270 m2·g–1, demonstrating excellent SF6 adsorption and separation performance. The SF6/N2 selectivity of CNOP-7 reaches 107 at 273 K and 73 at 298 K. Furthermore, dynamic breakthrough experiments confirm that CNOP-7 can efficiently and repeatedly separate SF6 from SF6/N2 mixtures. Molecular simulations reveal the mechanism behind its efficient separation. This work offers fresh perspectives on the development and fabrication of adsorbents for efficient SF6 sequestration.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"65 1","pages":""},"PeriodicalIF":5.8,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Room-Temperature Synthesis of a Fluorine-Functionalized Nanoporous Organic Polymer for Highly Efficient SF6 Adsorption and Separation 用于高效吸附和分离 SF6 的氟官能化纳米多孔有机聚合物的室温合成

IF 5.1

ACS Macro Letters Pub Date : 2024-10-21 DOI: 10.1021/acsmacrolett.4c0055910.1021/acsmacrolett.4c00559

Sihan Tong, Lu Yao, Qilin Wang, Jiangli Zhu, Zefeng Wang and Jun Yan*,

{"title":"Room-Temperature Synthesis of a Fluorine-Functionalized Nanoporous Organic Polymer for Highly Efficient SF6 Adsorption and Separation","authors":"Sihan Tong, Lu Yao, Qilin Wang, Jiangli Zhu, Zefeng Wang and Jun Yan*, ","doi":"10.1021/acsmacrolett.4c0055910.1021/acsmacrolett.4c00559","DOIUrl":"https://doi.org/10.1021/acsmacrolett.4c00559https://doi.org/10.1021/acsmacrolett.4c00559","url":null,"abstract":"Sulfur hexafluoride (SF6) is widely used in the power industry and significantly contributes to the greenhouse effect, necessitating the development of efficient materials for SF6 capture, particularly fluorine-containing materials. However, existing fluorine-containing materials often require complex monomers and high synthesis temperatures. Herein, we report the synthesis of a fluorine-functionalized carbazole-based nanoporous organic polymer (CNOP-7) at room temperature, using commercially available 4,4′-bis(9H-carbazole-9-yl)-1,1′-biphenyl and 1,1,1-trifluoroacetone. CNOP-7 contains 14.7% fluorine atoms and exhibits a high specific surface area of 1270 m2·g–1, demonstrating excellent SF6 adsorption and separation performance. The SF6/N2 selectivity of CNOP-7 reaches 107 at 273 K and 73 at 298 K. Furthermore, dynamic breakthrough experiments confirm that CNOP-7 can efficiently and repeatedly separate SF6 from SF6/N2 mixtures. Molecular simulations reveal the mechanism behind its efficient separation. This work offers fresh perspectives on the development and fabrication of adsorbents for efficient SF6 sequestration.","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"13 11","pages":"1469–1475 1469–1475"},"PeriodicalIF":5.1,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effects of a Mechanically Interlocked Structure on Ionic Conductivity in Polyrotaxane-Based Polymer Electrolytes 机械互锁结构对聚罗双环烷基聚合物电解质离子电导率的影响

IF 5.1

ACS Macro Letters Pub Date : 2024-10-16 DOI: 10.1021/acsmacrolett.4c0048010.1021/acsmacrolett.4c00480

Bitgaram Kim, Eunji Lee and Ji-Hun Seo*,

引用次数: 0

Effects of a Mechanically Interlocked Structure on Ionic Conductivity in Polyrotaxane-Based Polymer Electrolytes 机械互锁结构对聚罗双环烷基聚合物电解质离子电导率的影响

IF 5.8

ACS Macro Letters Pub Date : 2024-10-16 DOI: 10.1021/acsmacrolett.4c00480

Bitgaram Kim, Eunji Lee, Ji-Hun Seo

引用次数: 0