Pub Date : 2024-07-26DOI: 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.
{"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}
Pub Date : 2024-07-25DOI: 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}
Pub Date : 2024-07-25DOI: 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.
{"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}
Pub Date : 2024-07-25DOI: 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.
{"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}
Pub Date : 2024-07-24DOI: 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.
{"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}
Pub Date : 2024-07-24DOI: 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.
{"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}
Pub Date : 2024-07-24DOI: 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.
{"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}
Pub Date : 2024-07-23DOI: 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%.
{"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}
Pub Date : 2024-07-23DOI: 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.
{"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}
Pub Date : 2024-07-23DOI: 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 (>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}