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Catalytic conversion of mixed polyolefins under mild atmospheric pressure 混合聚烯烃在温和常压下的催化转化
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-02-03 DOI: 10.1016/j.xinn.2024.100586
Binzhi Zhao, Hui Tan, Jie Yang, Xiaohui Zhang, Zidi Yu, Hanli Sun, Jialiang Wei, Xinyi Zhao, Yufeng Zhang, Lili Chen, Dali Yang, Jin Deng, Yao Fu, Zheng Huang, Ning Jiao

The chemical recycling of polyolefin presents a considerable challenge, especially as upcycling methods struggle with the reality that plastic wastes typically consist of mixtures of polyethylene (PE), polystyrene (PS), and polypropylene (PP). We report a catalytic aerobic oxidative approach for polyolefins upcycling with the corresponding carboxylic acids as the product. This method encompasses three key innovations. Firstly, it operates under atmospheric pressure and mild conditions, using O2 or air as the oxidant. Secondly, it is compatible with HDPE (high-density polyethylene), LDPE (low-density polyethylene), PS, PP, and their blends; Thirdly, it utilizes an economical and recoverable metal catalyst. It has been demonstrated that this approach can efficiently degrade mixed wastes of plastic bags, bottles, masks, and foam boxes.

聚烯烃的化学回收是一项巨大的挑战,特别是由于塑料废物通常由聚乙烯(PE)、聚苯乙烯(PS)和聚丙烯(PP)的混合物组成,因此升级再循环方法很难解决这一现实问题。我们报告了一种以相应的羧酸为产品的催化有氧氧化聚烯烃升级再循环方法。该方法包含三项关键创新。首先,它在常压和温和条件下运行,使用氧气或空气作为氧化剂。其次,它与高密度聚乙烯(HDPE)、低密度聚乙烯(LDPE)、聚苯乙烯(PS)、聚丙烯(PP)以及它们的混合物兼容;第三,它使用了一种经济且可回收的金属催化剂。事实证明,这种方法可以有效降解塑料袋、瓶子、口罩和泡沫箱等混合废物。
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引用次数: 0
Metabolic collaboration between cells in the tumor microenvironment has a negligible effect on tumor growth 肿瘤微环境中细胞间的代谢协作对肿瘤生长的影响微乎其微
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-30 DOI: 10.1016/j.xinn.2024.100583
Johan Gustafsson, Fariba Roshanzamir, Anders Hagnestål, Sagar M. Patel, Oseeyi I. Daudu, Donald F. Becker, Jonathan L. Robinson, Jens Nielsen

The tumor microenvironment is comprised of a complex mixture of different cell types interacting under conditions of nutrient deprivation, but the metabolism therein is not fully understood due to difficulties in measuring metabolic fluxes and exchange of metabolites between different cell types in vivo. Genome-scale metabolic modeling enables estimation of such exchange fluxes as well as an opportunity to gain insight into the metabolic behavior of individual cell types. Here, we estimated the availability of nutrients and oxygen within the tumor microenvironment using concentration measurements from blood together with a metabolite diffusion model. In addition, we developed an approach to efficiently apply enzyme usage constraints in a comprehensive metabolic model of human cells. The combined modeling reproduced severe hypoxic conditions and the Warburg effect, and we found that limitations in enzymatic capacity contribute to cancer cells’ preferential use of glutamine as a substrate to the citric acid cycle. Furthermore, we investigated the common hypothesis that some stromal cells are exploited by cancer cells to produce metabolites useful for the cancer cells. We identified over 200 potential metabolites that could support collaboration between cancer cells and cancer associated fibroblasts, but when limiting to metabolites previously identified to participate in such collaboration, no growth advantage was observed. Our work highlights the importance of enzymatic capacity limitations for cell behaviors and exemplifies the utility of enzyme constrained models for accurate prediction of metabolism in cells and tumor microenvironments.

肿瘤微环境由不同类型细胞在营养匮乏条件下相互作用的复杂混合物组成,但由于难以测量体内不同类型细胞之间的代谢通量和代谢物交换,人们对其中的新陈代谢还不完全了解。基因组尺度的代谢模型可以估算这种交换通量,并有机会深入了解单个细胞类型的代谢行为。在这里,我们利用血液浓度测量数据和代谢物扩散模型估算了肿瘤微环境中营养物质和氧气的可用性。此外,我们还开发了一种在人类细胞综合代谢模型中有效应用酶使用限制的方法。我们发现,酶能力的限制导致癌细胞优先使用谷氨酰胺作为柠檬酸循环的底物。此外,我们还研究了一个常见的假设,即一些基质细胞被癌细胞利用来产生对癌细胞有用的代谢物。我们发现了 200 多种可能支持癌细胞与癌相关成纤维细胞之间合作的代谢物,但如果仅限于以前发现的参与这种合作的代谢物,则没有观察到任何生长优势。我们的工作强调了酶能力限制对细胞行为的重要性,并体现了酶约束模型在准确预测细胞和肿瘤微环境代谢方面的实用性。
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引用次数: 0
Shedding light on gene therapy of Parkinson’s disease in non-human primates 揭示非人灵长类动物帕金森病基因疗法的奥秘
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-24 DOI: 10.1016/j.xinn.2024.100581
Xunyi Yan, Xin Jin
Abstract not available
无摘要
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引用次数: 0
Time for a change: Rethinking the global renewable energy transition from the Sustainable Development Goals and the Paris Climate Agreement 改变的时刻到了:从可持续发展目标和《巴黎气候协定》反思全球可再生能源转型
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-24 DOI: 10.1016/j.xinn.2024.100582
Guanglei Yang, Donglan Zha, Dongqin Cao, Guoxing Zhang
Abstract not available
无摘要
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引用次数: 0
Sungai Lembing's green tourism: Pioneering the future of resource-based urban renewal 双溪兰滨的绿色旅游:开拓资源型城市更新的未来
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-12 DOI: 10.1016/j.xinn.2024.100578
Haoxuan Yu, Ginura Gunaratna, Izni Zahidi, Chow Ming Fai
Abstract not available
无摘要
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引用次数: 0
Promoting interactions between cognitive science and large language models 促进认知科学与大型语言模型之间的互动
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-12 DOI: 10.1016/j.xinn.2024.100579
Youzhi Qu, Penghui Du, Wenxin Che, Chen Wei, Chi Zhang, Wanli Ouyang, Yatao Bian, Feiyang Xu, Bin Hu, Kai Du, Haiyan Wu, Jia Liu, Quanying Liu
Abstract not available
无摘要
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引用次数: 0
Taming heat with tiny pressure 用微小的压力控制热量
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-11 DOI: 10.1016/j.xinn.2024.100577
Kun Zhang, Zhe Zhang, Hailong Pan, Haoyu Wang, Xueting Zhao, Ji Qi, Zhao Zhang, Ruiqi Song, Chenyang Yu, Biaohong Huang, Xujing Li, Huaican Chen, Wen Yin, Changlong Tan, Weijin Hu, Michael Wübbenhorst, Jiangshui Luo, Dehong Yu, Zhidong Zhang, Bing Li

Heat is almost everywhere. Unlike for electricity, which can be easily manipulated, the current ability to control heat is still highly limited owing to spontaneous thermal dissipation imposed by the second law of thermodynamics. Optical illumination and pressure have been used to switch endothermic/exothermic responses of materials via phase transitions; however, these strategies are less cost-effective and unscalable. Herein, we spectroscopically demonstrate the glassy crystal state of 2-amino-2-methyl-1,3-propanediol (AMP) to realise an affordable, easily manageable approach for thermal energyrecycling. The supercooled state of AMP is so sensitive to pressure that even several mega-pascals can induce crystallization to the ordered crystal, resulting in an substantial temperature increase of 48 K within 20 s. Furthermore, we demonstrate a proof-of-concept device capable of programming heat with an extremely high work-to-heat conversion efficiency of ∼383. Such delicate, efficient tuning of heat might remarkably facilitate rational utilisation of waste heat.

热几乎无处不在。与可以轻松操纵的电不同,由于热力学第二定律所规定的自发热耗散,目前控制热量的能力仍然非常有限。光学照明和压力已被用于通过相变来切换材料的内热/外热反应;然而,这些策略的成本效益较低,且不可扩展。在此,我们通过光谱学方法展示了 2-氨基-2-甲基-1,3-丙二醇(AMP)的玻璃晶体状态,从而实现了一种经济实惠、易于管理的热能回收方法。AMP 的过冷状态对压力非常敏感,即使是几兆帕斯的压力也能诱导结晶成有序晶体,从而在 20 秒内大幅升温 48 K。这种微妙、高效的热量调节可能会显著促进废热的合理利用。
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引用次数: 0
Carbon preservation in sedimentary deposits: Beyond mineral protection 沉积矿床中的碳保存:超越矿物保护
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-09 DOI: 10.1016/j.xinn.2024.100576
Yunpeng Zhao, Juan Jia, Chengzhu Liu, Xiaojuan Feng
Abstract not available
无摘要
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引用次数: 0
Overlooked uneven progress across sustainable development goals at the global scale: Challenges and opportunities 被忽视的全球范围内可持续发展目标进展不均衡的问题:挑战与机遇
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-08 DOI: 10.1016/j.xinn.2024.100573
Yali Liu, Jianqing Du, Yanfen Wang, Xiaoyong Cui, Jichang Dong, Pan Gu, Yanbin Hao, Kai Xue, Hongbo Duan, Anquan Xia, Yi Hu, Zhi Dong, Bingfang Wu, Jürgen P. Kropp, Bojie Fu

Differences in progress across sustainable development goals (SDGs) are widespread globally; meanwhile, the rising call for prioritizing specific SDGs may exacerbate such gaps. Nevertheless, how these progress differences would influence global sustainable development has been long neglected. Here, we present the first quantitative assessment of SDGs’ progress differences globally by adopting the SDGs progress evenness index. Our results highlight that the uneven progress across SDGs has been a hindrance to sustainable development because: (1) it is strongly associated with many public health risks (e.g., air pollution), social inequalities (e.g., gender inequality, modern slavery, and wealth gap), and a reduction in life expectancy; (2) it is also associated with deforestation and habitat loss in terrestrial and marine ecosystems, increasing the challenges related to biodiversity conservation; (3) most countries with a low average SDGs performance show lower progress evenness, which further hinders their fulfillment of SDGs; (4) many countries with a high average SDGs performance also showcase stagnation or even retrogression in progress evenness, which is partly ascribed to the antagonism between climate actions and other goals. These findings highlight that while setting SDGs priorities might be more realistic under the constraints of multiple global stressors, caution must be exercised to avoid new problems from intensifying uneven progress across goals. Moreover, our study reveals that the urgent needs regarding SDGs of different regions seem complementary, emphasizing that regional collaborations (e.g., demand-oriented carbon trading between SDGs poorly-performed and well-performed countries) may promote sustainable development achievements at the global scale.

可持续发展目标(SDGs)之间的进展差异在全球范围内普遍存在;同时,要求优先实现特定可持续发展目标的呼声日益高涨,这可能会加剧这种差距。然而,这些进展差异将如何影响全球可持续发展却长期被忽视。在此,我们首次采用可持续发展目标进展均匀度指数对全球可持续发展目标的进展差异进行了定量评估。我们的研究结果表明,可持续发展目标的进展不均衡阻碍了可持续发展,因为:(1) 这种不均衡与许多公共健康风险(如空气污染)、社会不平等(如性别不平等、现代奴隶制、贫困)密切相关、(2) 它还与森林砍伐以及陆地和海洋生态系统栖息地的丧失密切相关,增加了与生物多样性保护相关的挑战;(3) 大多数可持续发展目标平均绩效较低的国家显示出较低的进展均衡性,这进一步阻碍了其可持续发展目标的实现;(4) 许多可持续发展目标平均绩效较高的国家也显示出进展均衡性的停滞甚至倒退,这部分归因于气候行动与其他目标之间的对立。这些发现突出表明,在多重全球压力的制约下,确定可持续发展目标的优先事项可能更加现实,但必须谨慎行事,以避免新问题加剧各目标之间的进展不平衡。此外,我们的研究表明,不同地区对可持续发展目标的迫切需求似乎是互补的,这强调了地区合作(例如,在可持续发展目标执行不力的国家和执行良好的国家之间开展以需求为导向的碳交易)可能会促进全球范围内的可持续发展成就。
{"title":"Overlooked uneven progress across sustainable development goals at the global scale: Challenges and opportunities","authors":"Yali Liu, Jianqing Du, Yanfen Wang, Xiaoyong Cui, Jichang Dong, Pan Gu, Yanbin Hao, Kai Xue, Hongbo Duan, Anquan Xia, Yi Hu, Zhi Dong, Bingfang Wu, Jürgen P. Kropp, Bojie Fu","doi":"10.1016/j.xinn.2024.100573","DOIUrl":"https://doi.org/10.1016/j.xinn.2024.100573","url":null,"abstract":"<p>Differences in progress across sustainable development goals (SDGs) are widespread globally; meanwhile, the rising call for prioritizing specific SDGs may exacerbate such gaps. Nevertheless, how these progress differences would influence global sustainable development has been long neglected. Here, we present the first quantitative assessment of SDGs’ progress differences globally by adopting the SDGs progress evenness index. Our results highlight that the uneven progress across SDGs has been a hindrance to sustainable development because: (1) it is strongly associated with many public health risks (e.g., air pollution), social inequalities (e.g., gender inequality, modern slavery, and wealth gap), and a reduction in life expectancy; (2) it is also associated with deforestation and habitat loss in terrestrial and marine ecosystems, increasing the challenges related to biodiversity conservation; (3) most countries with a low average SDGs performance show lower progress evenness, which further hinders their fulfillment of SDGs; (4) many countries with a high average SDGs performance also showcase stagnation or even retrogression in progress evenness, which is partly ascribed to the antagonism between climate actions and other goals. These findings highlight that while setting SDGs priorities might be more realistic under the constraints of multiple global stressors, caution must be exercised to avoid new problems from intensifying uneven progress across goals. Moreover, our study reveals that the urgent needs regarding SDGs of different regions seem complementary, emphasizing that regional collaborations (e.g., demand-oriented carbon trading between SDGs poorly-performed and well-performed countries) may promote sustainable development achievements at the global scale.</p>","PeriodicalId":36121,"journal":{"name":"The Innovation","volume":"214 1","pages":""},"PeriodicalIF":32.1,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139397708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Organic crystal structure prediction via coupled generative adversarial networks and graph convolutional networks 通过耦合生成式对抗网络和图卷积网络预测有机晶体结构
IF 32.1 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-01-08 DOI: 10.1016/j.xinn.2023.100562
Zhuyifan Ye, Nannan Wang, Jiantao Zhou, Defang Ouyang

Organic crystal structures exert a profound impact on the physicochemical properties and biological effects of organic compounds. Quantum mechanics (QM) based crystal structure predictions (CSP) have somewhat alleviated the dilemma that experimental crystal structure investigations struggle to conduct complete polymorphism studies, but the high computing cost poses a challenge to its widespread application. The current study aims to construct DeepCSP, a feasible pure machine learning framework for minute-scale rapid organic crystal structure prediction. Initially, based on 177,746 data entries from the Cambridge Crystal Structure Database (CSD), a generative adversarial network was built to conditionally generate trial crystal structures under selected feature constraints for the given molecule. Simultaneously, a graph convolutional attention network was employed to predict the density of stable crystal structures for the input molecule. Subsequently, the distances between the predicted density and the definition-based calculated density would be considered as the crystal structure screening and ranking basis, and finally, the density-based crystal structure ranking would be output. Such two distinct algorithms, performing the generation and ranking functionalities respectively, collectively constitute the DeepCSP, which has demonstrated compelling performance in marketed drug validations, achieving an accuracy rate exceeding 80% and hit rate surpassing 85%. Inspiringly, the computing speed of the pure machine learning methodology demonstrates the potential of artificial intelligence in advancing CSP research.

有机晶体结构对有机化合物的理化性质和生物效应有着深远的影响。基于量子力学(QM)的晶体结构预测(CSP)在一定程度上缓解了实验晶体结构研究难以进行完整的多态性研究的困境,但高昂的计算成本对其广泛应用提出了挑战。本研究旨在构建一个可行的纯机器学习框架--DeepCSP,用于分钟级快速有机晶体结构预测。最初,基于剑桥晶体结构数据库(CSD)中的 177,746 个数据条目,建立了一个生成对抗网络,在给定分子的选定特征约束下有条件地生成试验晶体结构。同时,采用图卷积注意力网络预测输入分子的稳定晶体结构密度。随后,预测密度与基于定义计算的密度之间的距离将被视为晶体结构筛选和排序的基础,最后输出基于密度的晶体结构排序。这两种不同的算法分别执行生成和排序功能,共同构成了 DeepCSP,它在上市药物验证中表现出令人信服的性能,准确率超过 80%,命中率超过 85%。令人鼓舞的是,纯机器学习方法的计算速度证明了人工智能在推进 CSP 研究方面的潜力。
{"title":"Organic crystal structure prediction via coupled generative adversarial networks and graph convolutional networks","authors":"Zhuyifan Ye, Nannan Wang, Jiantao Zhou, Defang Ouyang","doi":"10.1016/j.xinn.2023.100562","DOIUrl":"https://doi.org/10.1016/j.xinn.2023.100562","url":null,"abstract":"<p>Organic crystal structures exert a profound impact on the physicochemical properties and biological effects of organic compounds. Quantum mechanics (QM) based crystal structure predictions (CSP) have somewhat alleviated the dilemma that experimental crystal structure investigations struggle to conduct complete polymorphism studies, but the high computing cost poses a challenge to its widespread application. The current study aims to construct DeepCSP, a feasible pure machine learning framework for minute-scale rapid organic crystal structure prediction. Initially, based on 177,746 data entries from the Cambridge Crystal Structure Database (CSD), a generative adversarial network was built to conditionally generate trial crystal structures under selected feature constraints for the given molecule. Simultaneously, a graph convolutional attention network was employed to predict the density of stable crystal structures for the input molecule. Subsequently, the distances between the predicted density and the definition-based calculated density would be considered as the crystal structure screening and ranking basis, and finally, the density-based crystal structure ranking would be output. Such two distinct algorithms, performing the generation and ranking functionalities respectively, collectively constitute the DeepCSP, which has demonstrated compelling performance in marketed drug validations, achieving an accuracy rate exceeding 80% and hit rate surpassing 85%. Inspiringly, the computing speed of the pure machine learning methodology demonstrates the potential of artificial intelligence in advancing CSP research.</p>","PeriodicalId":36121,"journal":{"name":"The Innovation","volume":"569 1","pages":""},"PeriodicalIF":32.1,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139397474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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The Innovation
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