首页 > 最新文献

Cell Reports Physical Science最新文献

英文 中文
Applying the intrinsic principle of cell collectives to program robot swarms 将细胞集体的内在原理应用于机器人群编程
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-26 DOI: 10.1016/j.xcrp.2024.102122

Many control algorithms for formation of robot swarms are often inspired by animal swarms. However, these algorithms require robots having sensing and computational capabilities and are not applicable to robot swarms working in extreme environments, such as at micro/nanoscale and in space. Here, we directly apply the differential adhesion hypothesis (DAH) of cell biology to the formation of robot swarms. Like cell collectives, swarms of sensor-less robots aggregate and sort in a self-organized manner. We quantitatively investigate the DAH principle in both swarms of cells and robots. We find that the sorting time is nonlinearly related to the levels of adhesion differences. This sheds light on the mechanisms of timing control in morphogenesis. Based on these findings, we program robot swarms to form functional morphologies by tuning their adhesion. This work advances swarm robotics in forming functional morphologies in a self-organized manner and enables us to investigate morphogenesis in cell collectives using robot swarms.

许多形成机器人群的控制算法通常受到动物群的启发。然而,这些算法要求机器人具有感知和计算能力,不适用于在微/纳米尺度和太空等极端环境中工作的机器人群。在这里,我们直接将细胞生物学的差异粘附假说(DAH)应用于机器人群的形成。与细胞集体一样,无传感器机器人群以自组织的方式聚集和分类。我们对细胞群和机器人群的 DAH 原理进行了定量研究。我们发现,分拣时间与粘附差异水平呈非线性关系。这揭示了形态发生中的时间控制机制。基于这些发现,我们对机器人群进行编程,通过调整它们的粘附力来形成功能形态。这项工作推进了以自组织方式形成功能形态的蜂群机器人技术,使我们能够利用机器人蜂群研究细胞集体的形态发生。
{"title":"Applying the intrinsic principle of cell collectives to program robot swarms","authors":"","doi":"10.1016/j.xcrp.2024.102122","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102122","url":null,"abstract":"<p>Many control algorithms for formation of robot swarms are often inspired by animal swarms. However, these algorithms require robots having sensing and computational capabilities and are not applicable to robot swarms working in extreme environments, such as at micro/nanoscale and in space. Here, we directly apply the differential adhesion hypothesis (DAH) of cell biology to the formation of robot swarms. Like cell collectives, swarms of sensor-less robots aggregate and sort in a self-organized manner. We quantitatively investigate the DAH principle in both swarms of cells and robots. We find that the sorting time is nonlinearly related to the levels of adhesion differences. This sheds light on the mechanisms of timing control in morphogenesis. Based on these findings, we program robot swarms to form functional morphologies by tuning their adhesion. This work advances swarm robotics in forming functional morphologies in a self-organized manner and enables us to investigate morphogenesis in cell collectives using robot swarms.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"5 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tumor-treating fields increase cytotoxic degranulation of natural killer cells against cancer cells 肿瘤治疗场可增加自然杀伤细胞对癌细胞的细胞毒性脱颗粒作用
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-25 DOI: 10.1016/j.xcrp.2024.102119

Tumor-treating fields (TTFs) are a non-invasive treatment for glioblastoma (GBM) that applies low-intensity, intermediate-frequency, alternating electric fields. Given a 5-year survival of less than 7% for GBM patients, multi-modal treatments are required to improve survival. Natural killer (NK) cells are innate lymphocytes that kill cancer cells and are thus a major target for new immunotherapy approaches. There is potential to combine TTFs with an NK cell-based therapy for GBM treatment. Here, we investigate the impact of TTFs on NK cell viability and functions. Exposure to TTFs does not affect NK cell viability or interferon (IFN)-γ production, a key NK cell function. Of significance, exposure to TTFs increases NK cell degranulation, a proxy of cell killing. These data suggest that the combination of TTFs and NK cell-based therapy may boost tumor cell killing. This provides a basis to further explore this combination, with the end goal of enhancing NK cell immunotherapy potential for patients with GBM.

肿瘤治疗场(TTF)是一种治疗胶质母细胞瘤(GBM)的非侵入性疗法,它应用低强度、中频、交变电场。鉴于胶质母细胞瘤患者的 5 年存活率不到 7%,因此需要多模式疗法来提高存活率。自然杀伤(NK)细胞是能杀死癌细胞的先天性淋巴细胞,因此是新免疫疗法的主要目标。将 TTF 与基于 NK 细胞的疗法结合起来治疗 GBM 是有潜力的。在这里,我们研究了 TTF 对 NK 细胞活力和功能的影响。暴露于 TTFs 不会影响 NK 细胞的活力或干扰素 (IFN)-γ 的产生,而干扰素 (IFN)-γ 是 NK 细胞的一项关键功能。重要的是,暴露于 TTFs 会增加 NK 细胞的脱颗粒性,而脱颗粒性是细胞杀伤的一种代表。这些数据表明,TTFs 与 NK 细胞疗法的结合可能会增强对肿瘤细胞的杀伤力。这为进一步探索这种组合提供了基础,其最终目标是提高 NK 细胞免疫疗法治疗 GBM 患者的潜力。
{"title":"Tumor-treating fields increase cytotoxic degranulation of natural killer cells against cancer cells","authors":"","doi":"10.1016/j.xcrp.2024.102119","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102119","url":null,"abstract":"<p>Tumor-treating fields (TTFs) are a non-invasive treatment for glioblastoma (GBM) that applies low-intensity, intermediate-frequency, alternating electric fields. Given a 5-year survival of less than 7% for GBM patients, multi-modal treatments are required to improve survival. Natural killer (NK) cells are innate lymphocytes that kill cancer cells and are thus a major target for new immunotherapy approaches. There is potential to combine TTFs with an NK cell-based therapy for GBM treatment. Here, we investigate the impact of TTFs on NK cell viability and functions. Exposure to TTFs does not affect NK cell viability or interferon (IFN)-γ production, a key NK cell function. Of significance, exposure to TTFs increases NK cell degranulation, a proxy of cell killing. These data suggest that the combination of TTFs and NK cell-based therapy may boost tumor cell killing. This provides a basis to further explore this combination, with the end goal of enhancing NK cell immunotherapy potential for patients with GBM.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"62 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced recovery of activation metals for accelerated hydrogen generation from aluminum and seawater 加强活化金属回收,加速铝和海水制氢
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-25 DOI: 10.1016/j.xcrp.2024.102121

When activated, aluminum reacts with water to generate hydrogen gas, heat, and aluminum oxyhydroxide, a non-toxic and valuable commodity. This process serves as an efficient and cost-effective means of producing and transporting both hydrogen and thermal energy. The study presented here focuses on recovering a gallium-indium eutectic utilized as a surface coating to induce aluminum’s reactivity in water. The findings indicate that the addition of very low concentrations (0.02 M) of imidazole to seawater leads to rapid reactions being completed in under 10 min, enabling the retrieval and reuse of over 90% of the relatively costly gallium-indium eutectic and producing 99% of the anticipated hydrogen output based on the aluminum’s mass. Additionally, conducting the reaction at elevated temperatures ensures the swift and complete reaction of aluminum in saltwater.

铝被激活后,会与水发生反应,产生氢气、热量和氢氧化铝(一种无毒且有价值的商品)。这种工艺是生产和运输氢气和热能的一种高效、经济的方法。本文的研究重点是回收用作表面涂层的镓铟共晶,以诱导铝在水中的反应性。研究结果表明,在海水中加入极低浓度(0.02 M)的咪唑,可在 10 分钟内完成快速反应,从而回收和再利用 90% 以上相对昂贵的镓铟共晶,并根据铝的质量产生 99% 的预期氢输出。此外,在高温下进行反应可确保铝在盐水中迅速完全反应。
{"title":"Enhanced recovery of activation metals for accelerated hydrogen generation from aluminum and seawater","authors":"","doi":"10.1016/j.xcrp.2024.102121","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102121","url":null,"abstract":"<p>When activated, aluminum reacts with water to generate hydrogen gas, heat, and aluminum oxyhydroxide, a non-toxic and valuable commodity. This process serves as an efficient and cost-effective means of producing and transporting both hydrogen and thermal energy. The study presented here focuses on recovering a gallium-indium eutectic utilized as a surface coating to induce aluminum’s reactivity in water. The findings indicate that the addition of very low concentrations (0.02 M) of imidazole to seawater leads to rapid reactions being completed in under 10 min, enabling the retrieval and reuse of over 90% of the relatively costly gallium-indium eutectic and producing 99% of the anticipated hydrogen output based on the aluminum’s mass. Additionally, conducting the reaction at elevated temperatures ensures the swift and complete reaction of aluminum in saltwater.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"45 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancements and prospects of deep learning in biomaterials evolution 深度学习在生物材料进化方面的进展和前景
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-25 DOI: 10.1016/j.xcrp.2024.102116

In recent decades, significant strides have been made in advancing biomaterials for biomedical applications. Ideal biomaterials necessitate suitable mechanical properties, excellent biocompatibility, and specific bioactivities. However, the design and preparation of materials with these essential characteristics pose formidable challenges, persisting as significant issues in the field. The development and optimization of high-performance biomaterials, along with the construction of composites and hybrids with diverse biofunctions, present promising strategies for enhancing therapeutic and diagnostic procedures. However, reliance on traditional “trial and error” methods for acquiring a substantial volume of experimental data proves to be laborious, time consuming, and unreliable. An emerging and promising approach involves the successful application of artificial intelligence (AI), specifically deep learning (DL), to investigate and optimize the preparation and manufacturing techniques for various biomaterials. DL, as an automated and intelligent tool within the AI domain, finds widespread application in devising, analyzing, and optimizing different biomaterials. Through the “experiment-AI” technique, DL predicts the potential feature information and performance of biomaterials, showcasing remarkable potential in biomaterial research and development. This review comprehensively explores the application of DL-based technologies in the biomedical field, emphasizing cutting-edge advantages and providing insights and recommendations to enhance the efficacy of such approaches in biomaterials.

近几十年来,生物医学应用领域的生物材料取得了长足的进步。理想的生物材料必须具有合适的机械性能、良好的生物相容性和特定的生物活性。然而,设计和制备具有这些基本特性的材料是一项艰巨的挑战,一直是该领域的重要问题。高性能生物材料的开发和优化,以及具有不同生物功能的复合材料和混合材料的构建,为增强治疗和诊断程序提供了前景广阔的战略。然而,依靠传统的 "试错 "方法获取大量实验数据的做法既费力、费时,又不可靠。一种新兴且前景广阔的方法是成功应用人工智能(AI),特别是深度学习(DL),来研究和优化各种生物材料的制备和制造技术。作为人工智能领域的自动化智能工具,深度学习在设计、分析和优化不同生物材料方面有着广泛的应用。通过 "实验-人工智能 "技术,DL 可以预测生物材料的潜在特征信息和性能,在生物材料研究和开发中展现出巨大的潜力。本综述全面探讨了基于 DL 的技术在生物医学领域的应用,强调了其前沿优势,并就如何提高此类方法在生物材料中的功效提出了见解和建议。
{"title":"Advancements and prospects of deep learning in biomaterials evolution","authors":"","doi":"10.1016/j.xcrp.2024.102116","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102116","url":null,"abstract":"<p>In recent decades, significant strides have been made in advancing biomaterials for biomedical applications. Ideal biomaterials necessitate suitable mechanical properties, excellent biocompatibility, and specific bioactivities. However, the design and preparation of materials with these essential characteristics pose formidable challenges, persisting as significant issues in the field. The development and optimization of high-performance biomaterials, along with the construction of composites and hybrids with diverse biofunctions, present promising strategies for enhancing therapeutic and diagnostic procedures. However, reliance on traditional “trial and error” methods for acquiring a substantial volume of experimental data proves to be laborious, time consuming, and unreliable. An emerging and promising approach involves the successful application of artificial intelligence (AI), specifically deep learning (DL), to investigate and optimize the preparation and manufacturing techniques for various biomaterials. DL, as an automated and intelligent tool within the AI domain, finds widespread application in devising, analyzing, and optimizing different biomaterials. Through the “experiment-AI” technique, DL predicts the potential feature information and performance of biomaterials, showcasing remarkable potential in biomaterial research and development. This review comprehensively explores the application of DL-based technologies in the biomedical field, emphasizing cutting-edge advantages and providing insights and recommendations to enhance the efficacy of such approaches in biomaterials.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"69 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nanoimaging of SARS-CoV-2 viral invasion toward the nucleus and genome SARS-CoV-2 病毒入侵细胞核和基因组的纳米成像技术
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-24 DOI: 10.1016/j.xcrp.2024.102111

The SARS-CoV-2 virus, responsible for the COVID-19 pandemic, has been linked to significant worldwide illness and death. Examining the ultrastructure and nanomechanical characteristics of SARS-CoV-2 viruses, from a physical standpoint, aids in categorizing their mechanical attributes, providing valuable information for novel treatment approaches and pinpointing susceptible regions that can guide precise medical interventions. This review presents the structural and mechanical characteristics of SARS-CoV-2 virus particles, focusing on their interaction with cells and their effects on nuclear pore transit and epigenetic modifications. We present the latest progress in utilizing a high-speed atomic force microscope for nanoscale observation of the SARS-CoV-2 virus and its constituents. SARS-CoV-2 viruses utilize several components to interact with the host’s nuclear transport receptors and the nucleoporins of the nuclear pore complex to influence the host’s nuclear transport and genome modality. In this review, we also provide an updated summary of how the parts of SARS-CoV-2 interact with the host’s nuclear transport system and how these interactions change the host’s chromatin.

SARS-CoV-2 病毒是 COVID-19 大流行的罪魁祸首,在全球范围内造成了严重的疾病和死亡。从物理角度研究 SARS-CoV-2 病毒的超微结构和纳米机械特性,有助于对其机械属性进行分类,为新型治疗方法提供有价值的信息,并确定易感区域,从而指导精确的医疗干预措施。本综述介绍了 SARS-CoV-2 病毒颗粒的结构和机械特性,重点是它们与细胞的相互作用及其对核孔过境和表观遗传修饰的影响。我们介绍了利用高速原子力显微镜对 SARS-CoV-2 病毒及其成分进行纳米级观察的最新进展。SARS-CoV-2 病毒利用多种成分与宿主的核转运受体和核孔复合体的核蛋白相互作用,从而影响宿主的核转运和基因组模式。在这篇综述中,我们还对 SARS-CoV-2 的各个部分如何与宿主的核转运系统相互作用以及这些相互作用如何改变宿主的染色质进行了最新总结。
{"title":"Nanoimaging of SARS-CoV-2 viral invasion toward the nucleus and genome","authors":"","doi":"10.1016/j.xcrp.2024.102111","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102111","url":null,"abstract":"<p>The SARS-CoV-2 virus, responsible for the COVID-19 pandemic, has been linked to significant worldwide illness and death. Examining the ultrastructure and nanomechanical characteristics of SARS-CoV-2 viruses, from a physical standpoint, aids in categorizing their mechanical attributes, providing valuable information for novel treatment approaches and pinpointing susceptible regions that can guide precise medical interventions. This review presents the structural and mechanical characteristics of SARS-CoV-2 virus particles, focusing on their interaction with cells and their effects on nuclear pore transit and epigenetic modifications. We present the latest progress in utilizing a high-speed atomic force microscope for nanoscale observation of the SARS-CoV-2 virus and its constituents. SARS-CoV-2 viruses utilize several components to interact with the host’s nuclear transport receptors and the nucleoporins of the nuclear pore complex to influence the host’s nuclear transport and genome modality. In this review, we also provide an updated summary of how the parts of SARS-CoV-2 interact with the host’s nuclear transport system and how these interactions change the host’s chromatin.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"133 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Human-motion adaptability enhancement of wearable electromagnetic vibration energy harvesters toward self-sustained body sensor networks 增强可穿戴电磁振动能量收集器的人体运动适应性,实现自持式人体传感器网络
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-24 DOI: 10.1016/j.xcrp.2024.102117

As a critical element of the technological infrastructure of body sensor networks (BSNs), wearable electromagnetic vibration energy harvesters (EMVEHs) are a competitive candidate for breaking through the development bottleneck of BSNs’ sustainability, and thus facilitating their self-sustained operations with versatile functions. To this end, the prior concern of wearable EMVEHs is to enhance their adaptability to complex biomechanics of human motions for better power generation performance. Given the state-of-the-art progress of this BSN enabling technology, we provide a comprehensive and in-depth summary of recent excitation-adaptive designs of miniaturized wearable EMVEHs focusing on their insightful vibration pick-up structures here, to systematically clarify a developing roadmap of this branch of science and then offer inspirations for the underway endeavors focused on energy harvesting from human motions. In this way, we try to lift the impacts of current innovative efforts in this field and corresponding BSN achievements to a higher level.

作为人体传感器网络(BSN)技术基础设施的关键要素,可穿戴电磁振动能量收集器(EMVEHs)是突破 BSN 可持续性发展瓶颈的一个有竞争力的候选方案,从而促进其具有多功能的自持运行。为此,可穿戴式 EMVEHs 的首要问题是提高其对人体运动的复杂生物力学的适应性,以获得更好的发电性能。考虑到这项 BSN 使能技术的最新进展,我们在此全面、深入地总结了微型化可穿戴 EMVEH 的最新激励自适应设计,重点介绍了其具有洞察力的振动拾取结构,以系统地阐明这一科学分支的发展路线图,然后为正在进行的侧重于从人体运动中采集能量的研究提供启发。通过这种方式,我们试图将该领域当前的创新努力和相应的 BSN 成果的影响提升到一个更高的水平。
{"title":"Human-motion adaptability enhancement of wearable electromagnetic vibration energy harvesters toward self-sustained body sensor networks","authors":"","doi":"10.1016/j.xcrp.2024.102117","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102117","url":null,"abstract":"<p>As a critical element of the technological infrastructure of body sensor networks (BSNs), wearable electromagnetic vibration energy harvesters (EMVEHs) are a competitive candidate for breaking through the development bottleneck of BSNs’ sustainability, and thus facilitating their self-sustained operations with versatile functions. To this end, the prior concern of wearable EMVEHs is to enhance their adaptability to complex biomechanics of human motions for better power generation performance. Given the state-of-the-art progress of this BSN enabling technology, we provide a comprehensive and in-depth summary of recent excitation-adaptive designs of miniaturized wearable EMVEHs focusing on their insightful vibration pick-up structures here, to systematically clarify a developing roadmap of this branch of science and then offer inspirations for the underway endeavors focused on energy harvesting from human motions. In this way, we try to lift the impacts of current innovative efforts in this field and corresponding BSN achievements to a higher level.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"49 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141785528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanochemical trifluoromethoxylation of aryltrimethylammonium triflates, aryldiazonium tetrafluoroborates, and aryl pinacolboranes 芳基三甲基铵三氯酸盐、芳基偶氮鎓四氟硼酸盐和芳基频哪醇硼烷的三氟甲氧基化机械化学反应
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-24 DOI: 10.1016/j.xcrp.2024.102118

Aryl trifluoromethyl ethers (ArOCF3) are important structural motifs in pharmaceuticals, agrochemicals, and functional materials. However, the methods reported for the efficient synthesis of these scaffolds are extremely underdeveloped and limited. Here, we report a highly efficient mechanochemical approach for the selective transformation of aryltrimethylammonium triflates, aryldiazonium tetrafluoroborates, and aryl pinacolboranes to aryl trifluoromethyl ethers via in situ-generated OCF3 source using triphosgene and Co(II) fluoride (CoF2). The proposed synthetic protocol also shows potential for the selective transformation of other groups such as arylsulfonium and diaryliodonium functionalities. The present trifluoromethoxylation strategy exhibited a broad functional group tolerance and found to be superior over other existing protocols in terms of substrate scope, yields, operational simplicity, and reaction times.

三氟甲基芳基醚(ArOCF3)是医药、农用化学品和功能材料中的重要结构基团。然而,目前报道的高效合成这些支架的方法还非常欠缺和有限。在此,我们报告了一种高效的机械化学方法,利用三光气和氟化钴(CoF2)通过原位生成的 OCF3 源,将芳基三甲基铵三氟酸盐、芳基四氟硼酸盐和芳基频哪醇硼烷选择性地转化为芳基三氟甲基醚。所提出的合成方案还显示了选择性转化其他基团(如芳基锍和二芳基碘)的潜力。目前的三氟甲氧基化策略具有广泛的官能团耐受性,在底物范围、产率、操作简便性和反应时间方面均优于其他现有方案。
{"title":"Mechanochemical trifluoromethoxylation of aryltrimethylammonium triflates, aryldiazonium tetrafluoroborates, and aryl pinacolboranes","authors":"","doi":"10.1016/j.xcrp.2024.102118","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102118","url":null,"abstract":"<p>Aryl trifluoromethyl ethers (ArOCF<sub>3</sub>) are important structural motifs in pharmaceuticals, agrochemicals, and functional materials. However, the methods reported for the efficient synthesis of these scaffolds are extremely underdeveloped and limited. Here, we report a highly efficient mechanochemical approach for the selective transformation of aryltrimethylammonium triflates, aryldiazonium tetrafluoroborates, and aryl pinacolboranes to aryl trifluoromethyl ethers via <em>in situ</em>-generated OCF<sub>3</sub> source using triphosgene and Co(II) fluoride (CoF<sub>2</sub>). The proposed synthetic protocol also shows potential for the selective transformation of other groups such as arylsulfonium and diaryliodonium functionalities. The present trifluoromethoxylation strategy exhibited a broad functional group tolerance and found to be superior over other existing protocols in terms of substrate scope, yields, operational simplicity, and reaction times.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"53 4 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141785527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hybrid interconnecting layers reduce current leakage losses in perovskite/silicon tandems with 81.8% fill factor 混合互连层降低了过氧化物/硅串联系统中的电流泄漏损耗,填充因子达 81.8%
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-23 DOI: 10.1016/j.xcrp.2024.102114

To break through the Shockley-Queisser limit of single-junction photovoltaics, monolithic two-terminal (2T) perovskite/silicon tandem solar cells (TSCs) have shown promise in recent years. Self-assembled monolayers (SAMs) as interconnecting layers (ICLs) for efficient perovskite/silicon TSCs are favorable due to their negligible optical and electrical loss. However, the inhomogeneity of SAMs results in defects at the interface between SAMs and transparent conductive oxide (TCO). To solve this issue, in this work, we employ the sputtered nickel oxide (NiOx) as the seed layer of MeO-2PACz SAMs to build hybrid ICLs in perovskite/silicon TSCs. It is found that the hybrid ICLs of NiOx/MeO-2PACz significantly reduce current leakage and non-radiative recombination losses by avoiding direct contact between perovskites and TCO. As a result, we can fabricate reproducible and stable monolithic 2T perovskite/silicon TSCs with an efficiency of 28.47% and an impressive fill factor of 81.8%.

为了突破单结光伏技术的肖克利-奎塞尔极限,近年来,单片双端(2T)包荧光体/硅串联太阳能电池(TSCs)显示出了广阔的前景。自组装单层膜(SAMs)作为互连层(ICLs),由于其光损耗和电损耗可忽略不计,因此对高效的过氧化物/硅串联太阳能电池非常有利。然而,SAM 的不均匀性会导致 SAM 与透明导电氧化物(TCO)之间的界面出现缺陷。为了解决这个问题,我们在这项研究中采用了溅射氧化镍(NiOx)作为 MeO-2PACz SAMs 的种子层,在包晶/硅 TSCs 中构建混合 ICL。研究发现,NiOx/MeO-2PACz 混合 ICL 通过避免包晶和 TCO 之间的直接接触,显著降低了漏电流和非辐射重组损耗。因此,我们可以制造出可重复且稳定的单片 2T 包晶/硅 TSCs,其效率高达 28.47%,填充因子高达 81.8%。
{"title":"Hybrid interconnecting layers reduce current leakage losses in perovskite/silicon tandems with 81.8% fill factor","authors":"","doi":"10.1016/j.xcrp.2024.102114","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102114","url":null,"abstract":"<p>To break through the Shockley-Queisser limit of single-junction photovoltaics, monolithic two-terminal (2T) perovskite/silicon tandem solar cells (TSCs) have shown promise in recent years. Self-assembled monolayers (SAMs) as interconnecting layers (ICLs) for efficient perovskite/silicon TSCs are favorable due to their negligible optical and electrical loss. However, the inhomogeneity of SAMs results in defects at the interface between SAMs and transparent conductive oxide (TCO). To solve this issue, in this work, we employ the sputtered nickel oxide (NiO<sub><em>x</em></sub>) as the seed layer of MeO-2PACz SAMs to build hybrid ICLs in perovskite/silicon TSCs. It is found that the hybrid ICLs of NiO<sub><em>x</em></sub>/MeO-2PACz significantly reduce current leakage and non-radiative recombination losses by avoiding direct contact between perovskites and TCO. As a result, we can fabricate reproducible and stable monolithic 2T perovskite/silicon TSCs with an efficiency of 28.47% and an impressive fill factor of 81.8%.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"25 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine learning models with distinct Shapley value explanations decouple feature attribution and interpretation for chemical compound predictions 具有不同夏普利值解释的机器学习模型将特征归属与化合物预测解释分离开来
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-23 DOI: 10.1016/j.xcrp.2024.102110

Explaining black box predictions of machine learning (ML) models is a topical issue in artificial intelligence (AI) research. For the identification of features determining predictions, the Shapley value formalism originally developed in game theory is widely used in different fields. Typically, Shapley values quantifying feature contributions to predictions need to be approximated in machine learning. We introduce a framework for the calculation of exact Shapley values for 4 kernel functions used in support vector machine (SVM) models and analyze consistently accurate compound activity predictions based on exact Shapley values. Dramatic changes in feature contributions are detected depending on the kernel function, leading to mostly distinct explanations of predictions of the same test compounds. Very different feature contributions yield comparable predictions, which complicate numerical and graphical model explanation and decouple feature attribution and human interpretability.

解释机器学习(ML)模型的黑箱预测是人工智能(AI)研究中的一个热点问题。为了识别决定预测的特征,最初在博弈论中发展起来的夏普利值形式主义被广泛应用于不同领域。通常,在机器学习中需要对量化特征对预测贡献的夏普利值进行近似。我们为支持向量机(SVM)模型中使用的 4 个核函数引入了一个计算精确夏普利值的框架,并分析了基于精确夏普利值的持续准确的复合活动预测。根据核函数的不同,可以检测到特征贡献的巨大变化,从而对相同测试化合物的预测结果做出截然不同的解释。非常不同的特征贡献会产生相似的预测结果,这就使数字和图形模型解释变得复杂,并使特征归属和人类可解释性脱钩。
{"title":"Machine learning models with distinct Shapley value explanations decouple feature attribution and interpretation for chemical compound predictions","authors":"","doi":"10.1016/j.xcrp.2024.102110","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102110","url":null,"abstract":"<p>Explaining black box predictions of machine learning (ML) models is a topical issue in artificial intelligence (AI) research. For the identification of features determining predictions, the Shapley value formalism originally developed in game theory is widely used in different fields. Typically, Shapley values quantifying feature contributions to predictions need to be approximated in machine learning. We introduce a framework for the calculation of exact Shapley values for 4 kernel functions used in support vector machine (SVM) models and analyze consistently accurate compound activity predictions based on exact Shapley values. Dramatic changes in feature contributions are detected depending on the kernel function, leading to mostly distinct explanations of predictions of the same test compounds. Very different feature contributions yield comparable predictions, which complicate numerical and graphical model explanation and decouple feature attribution and human interpretability.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"25 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Environmentally tolerant conductive organohydrogel toward superior electromagnetic interference shielding and human motion detection 具有环境耐受性的导电有机水凝胶,可实现卓越的电磁干扰屏蔽和人体运动检测功能
IF 8.9 2区 综合性期刊 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-07-23 DOI: 10.1016/j.xcrp.2024.102109

Flexible wearable devices require conductive hydrogels that can withstand extreme conditions. Yet, most strategies for improving environmental tolerance compromise other properties, including mechanical modulus and electromagnetic interference (EMI) shielding. Herein, we design polyvinyl alcohol/polypyrrole double-network organohydrogels with tunable EMI shielding and mechanical properties by introducing specific ions and glycerol. The synergistic effect of high-concentration “salting-in” ions and glycerol/water systems enables 3 M AlCl3-treated organohydrogels to exhibit exceptional environmental tolerance. These gels display excellent shielding performance above 40 dB and enhanced modulus-like human skin. Glycerol restores the mechanical properties deteriorated by “salting-in” ions, and AlCl3 promotes ion migration to improve EMI shielding. Additionally, these organohydrogels can also serve as strain sensors, monitoring human motions and maintaining stable shielding (>25 dB) even after subzero treatment or long-term use. Overall, this work offers a generalizable strategy for fabricating multifunctional organohydrogels, paving the way for advancements in gel-based flexible wearable devices.

柔性可穿戴设备需要能够承受极端条件的导电水凝胶。然而,大多数提高环境耐受性的策略都会损害其他性能,包括机械模量和电磁干扰(EMI)屏蔽。在此,我们通过引入特定离子和甘油,设计出具有可调电磁干扰屏蔽和机械性能的聚乙烯醇/聚吡咯双网有机水凝胶。高浓度 "盐化 "离子和甘油/水体系的协同作用使 3 M AlCl3 处理过的有机水凝胶表现出卓越的环境耐受性。这些凝胶显示出 40 dB 以上的出色屏蔽性能,模量增强后与人体皮肤相似。甘油恢复了因离子 "盐析 "而恶化的机械性能,而 AlCl3 则促进了离子迁移,从而提高了 EMI 屏蔽性能。此外,这些有机水凝胶还可用作应变传感器,监测人体运动,并在经过零度以下处理或长期使用后仍能保持稳定的屏蔽(25 分贝)。总之,这项工作为制造多功能有机水凝胶提供了一种可推广的策略,为基于凝胶的柔性可穿戴设备的发展铺平了道路。
{"title":"Environmentally tolerant conductive organohydrogel toward superior electromagnetic interference shielding and human motion detection","authors":"","doi":"10.1016/j.xcrp.2024.102109","DOIUrl":"https://doi.org/10.1016/j.xcrp.2024.102109","url":null,"abstract":"<p>Flexible wearable devices require conductive hydrogels that can withstand extreme conditions. Yet, most strategies for improving environmental tolerance compromise other properties, including mechanical modulus and electromagnetic interference (EMI) shielding. Herein, we design polyvinyl alcohol/polypyrrole double-network organohydrogels with tunable EMI shielding and mechanical properties by introducing specific ions and glycerol. The synergistic effect of high-concentration “salting-in” ions and glycerol/water systems enables 3 M AlCl<sub>3</sub>-treated organohydrogels to exhibit exceptional environmental tolerance. These gels display excellent shielding performance above 40 dB and enhanced modulus-like human skin. Glycerol restores the mechanical properties deteriorated by “salting-in” ions, and AlCl<sub>3</sub> promotes ion migration to improve EMI shielding. Additionally, these organohydrogels can also serve as strain sensors, monitoring human motions and maintaining stable shielding (&gt;25 dB) even after subzero treatment or long-term use. Overall, this work offers a generalizable strategy for fabricating multifunctional organohydrogels, paving the way for advancements in gel-based flexible wearable devices.</p>","PeriodicalId":9703,"journal":{"name":"Cell Reports Physical Science","volume":"45 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Cell Reports Physical Science
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
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
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1