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Exploring Sensitized Photon Upconversion - From Past to Present. 探索敏化光子上转换--从过去到现在。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-21 DOI: 10.2533/chimia.2024.518
Colette M Sullivan, Lea Nienhaus

The conversion of low energy photons into high energy photons via triplet-triplet annihilation (TTA) photon upconversion (UC) has become a promising avenue for furthering a wide range of optoelectronic applications. Through the decades of research, many combinations of triplet sensitizer species and annihilator molecules have been investigated unlocking the entire visible spectrum upon proper pairings of sensitizer and annihilator identities. Here, we reflect upon the seminal works which lay the foundation for TTA-UC originating from solution-based methods and highlight the recent advances made within the solid state primarily focusing on perovskite-based triplet generation.

通过三重-三重湮灭(TTA)光子上转换(UC)将低能光子转换为高能光子,已成为促进广泛光电应用的一条大有可为的途径。经过数十年的研究,人们对三重增感剂和湮灭剂分子的多种组合进行了研究,通过增感剂和湮灭剂的适当配对解开了整个可见光谱。在此,我们回顾了为基于溶液方法的 TTA-UC 奠定基础的开创性工作,并重点介绍了最近在固态领域取得的进展,主要侧重于基于过氧化物的三重态生成。
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引用次数: 0
Do we really need ligands in Ir-catalyzed C-H borylation? 在铱催化的 C-H 硼酰化反应中真的需要配体吗?
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-21 DOI: 10.2533/chimia.2024.513
Janis M Zakis, Simone L Kuhn, Joanna Wencel-Delord, Tomas Smejkal

Direct borylation of C-H bonds is a privileged strategy to access versatile building blocks and valuable derivatives of complex molecules (late-stage functionalization, metabolite synthesis). This perspective aims to provide an overview and classification of the catalytic systems developed in this fast-growing area of research. Unexpected selectivity differences between two established directed-borylation systems have been discovered using high-throughput experimentation highlighting the importance of classical control experiments in catalysis research.

C-H 键的直接溴化反应是获得复杂分子的多功能构件和有价值的衍生物(后期官能化、代谢物合成)的重要策略。本视角旨在对这一快速发展的研究领域所开发的催化系统进行概述和分类。利用高通量实验发现了两个已建立的定向伯赖氨酸化系统之间意想不到的选择性差异,这凸显了经典控制实验在催化研究中的重要性。
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引用次数: 0
A Decade of Computational Mass Spectrometry from Reference Spectra to Deep Learning. 从参考图谱到深度学习的计算质谱十年。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-21 DOI: 10.2533/chimia.2024.525
Michael A Stravs

Computational methods are playing an increasingly important role as a complement to conventional data evaluation methods in analytical chemistry, and particularly mass spectrometry. Computational mass spectrometry (CompMS) is the application of computational methods on mass spectrometry data. Herein, advances in CompMS for small molecule chemistry are discussed in the areas of spectral libraries, spectrum prediction, and tentative structure identification (annotation): Automatic spectrum curation is facilitating the expansion of openly available spectral libraries, a crucial resource both for compound annotation directly and as a resource for machine learning algorithms. Spectrum prediction and molecular fingerprint prediction have emerged as two key approaches to compound annotation. For both, multiple methods based on classical machine learning and deep learning have been developed. Driven by advances in deep learning-based generative chemistry, de novo structure generation from fragment spectra is emerging as a new field of research. This review highlights key publications in these fields, including our approaches RMassBank (automatic spectrum curation) and MSNovelist (de novo structure generation).

计算方法作为分析化学,尤其是质谱分析中传统数据评估方法的补充,发挥着越来越重要的作用。计算质谱法(CompMS)是将计算方法应用于质谱数据的方法。本文讨论了计算质谱在光谱库、光谱预测和暂定结构鉴定(注释)领域的进展:自动光谱整理促进了公开光谱库的扩展,这既是直接进行化合物注释的重要资源,也是机器学习算法的重要资源。光谱预测和分子指纹预测已成为化合物注释的两种关键方法。基于经典机器学习和深度学习的多种方法已被开发出来。在基于深度学习的生成化学进展的推动下,从片段光谱生成新结构正成为一个新的研究领域。本综述重点介绍了这些领域的主要出版物,包括我们的方法 RMassBank(自动光谱整理)和 MSNovelist(从头结构生成)。
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引用次数: 0
Enhancing Drug Discovery and Development through the Integration of Medicinal Chemistry, Chemical Biology, and Academia-Industry Partnerships: Insights from Roche's Endocannabinoid System Projects. 通过整合药物化学、化学生物学和学术界与产业界的合作伙伴关系来加强药物发现和开发:罗氏公司内源性大麻素系统项目的启示。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-21 DOI: 10.2533/chimia.2024.499
Johannes Aebi, Kenneth Atz, Simon M Ametamey, Jörg Benz, Julie Blaising, Stefania Butini, Giuseppe Campiani, Erick M Carreira, Ludovic Collin, Eva De Lago, Thais Gazzi, Jürg Gertsch, Luca Gobbi, Wolfgang Guba, Javier Fernández-Ruiz, Jürgen Fingerle, Ahmed Haider, Yingfang He, Laura H Heitman, Michael Honer, Daniel Hunziker, Bernd Kuhn, Mauro Maccarrone, Hans Peter Märki, Rainer E Martin, Peter Mohr, Linjing Mu, Marc Nazaré, David F Nippa, Sergio Oddi, Fionn O'Hara, Pal Pacher, Julian Romero, Stephan Röver, Arne C Rufer, Roger Schibli, Gisbert Schneider, Antonia F Stepan, David A Sykes, Christoph Ullmer, Mario Van der Stelt, Dmitry B Veprintsev, Matthias B Wittwer, Uwe Grether

The endocannabinoid system (ECS) is a critical regulatory network composed of endogenous cannabinoids (eCBs), their synthesizing and degrading enzymes, and associated receptors. It is integral to maintaining homeostasis and orchestrating key functions within the central nervous and immune systems. Given its therapeutic significance, we have launched a series of drug discovery endeavors aimed at ECS targets, including peroxisome proliferator-activated receptors (PPARs), cannabinoid receptors types 1 (CB1R) and 2 (CB2R), and monoacylglycerol lipase (MAGL), addressing a wide array of medical needs. The pursuit of new therapeutic agents has been enhanced by the creation of specialized labeled chemical probes, which aid in target localization, mechanistic studies, assay development, and the establishment of biomarkers for target engagement. By fusing medicinal chemistry with chemical biology in a comprehensive, translational end-to-end drug discovery strategy, we have expedited the development of novel therapeutics. Additionally, this strategy promises to foster highly productive partnerships between industry and academia, as will be illustrated through various examples.

内源性大麻素系统(ECS)是一个重要的调节网络,由内源性大麻素(eCB)、其合成和降解酶以及相关受体组成。它是维持中枢神经和免疫系统平衡和协调关键功能不可或缺的部分。鉴于其治疗意义,我们针对 ECS 靶点开展了一系列药物研发工作,包括过氧化物酶体增殖激活受体 (PPAR)、大麻素受体 1 型 (CB1R) 和 2 型 (CB2R) 以及单酰基甘油脂肪酶 (MAGL),以满足广泛的医疗需求。专门标记的化学探针有助于靶点定位、机理研究、检测开发和建立靶点参与的生物标志物,从而促进了对新治疗药物的开发。通过将药物化学与化学生物学融合在一个全面、转化的端到端药物发现战略中,我们加快了新型疗法的开发。此外,这一战略有望促进产业界和学术界之间建立卓有成效的合作伙伴关系,我们将通过各种实例来说明这一点。
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引用次数: 0
Editorial. 社论
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-08-21
Christian G Bochet
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引用次数: 0
Building Solid-State Batteries: Insights from Swiss Research Labs. 制造固态电池:瑞士研究实验室的见解。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.2533/chimia.2024.403
Kostiantyn V Kravchyk, Corsin Battaglia, Valerie Siller, Barthélémy Lelotte, Mario El Kazzi, Jedrzej Morzy, Moritz Futscher, Yaroslav Romanyuk, Michael Stalder, Axel Fuerst, Maksym Kovalenko

This review article delves into the growing field of solid-state batteries as a compelling alternative to conventional lithium-ion batteries. The article surveys ongoing research efforts at renowned Swiss institutions such as ETH Zurich, Empa, Paul Scherrer Institute, and Berner Fachhochschule covering various aspects, from a fundamental understanding of battery interfaces to practical issues of solid-state battery fabrication, their design, and production. The article then outlines the prospects of solid-state batteries, emphasizing the imperative practical challenges that remain to be overcome and highlighting Swiss research groups' efforts and research directions in this field.

这篇综述文章深入探讨了固态电池作为传统锂离子电池令人瞩目的替代品这一日益增长的领域。文章调查了苏黎世联邦理工学院、Empa、保罗舍勒研究所和伯尔尼高等师范学院等瑞士知名机构正在进行的研究工作,涉及从对电池界面的基本了解到固态电池制造、设计和生产的实际问题等各个方面。文章随后概述了固态电池的发展前景,强调了仍有待克服的紧迫的实际挑战,并重点介绍了瑞士研究小组在这一领域的努力和研究方向。
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引用次数: 0
Understanding The Benefits and Risks of Sustainable Nanomaterials in a Research Environment. 在研究环境中了解可持续纳米材料的益处和风险。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.2533/chimia.2024.397
Sandeep Keshavan, Alke Petri-Fink, Barbara Rothen-Rutishauser

Nanomaterials hold immense potential for numerous applications in energy, health care, and environmental sectors, playing an important role in our daily lives. Their utilization spans from improving energy efficiency to enhancing medical diagnostics, and mitigating environmental pollution, thus presenting a multifaceted approach towards achieving sustainability goals. To ensure the sustainable and safe utilization of nanomaterials, a thorough evaluation of potential hazards and risks is essential throughout their lifecycle-from resource extraction and production to use and disposal. In this review, we focus on understanding and addressing potential environmental and health risks associated with nanomaterial utilization. We advocate for a balanced approach with early hazard identification, safe-by-design principles, and life cycle assessments, while emphasizing safe handling and disposal practices, collaboration, and continuous improvement. Our goal is to ensure responsible nanotechnology development, fostering innovation alongside environmental and community well-being, through a holistic approach integrating science, ethics, and proactive risk assessment.

纳米材料在能源、医疗保健和环境领域的应用潜力巨大,在我们的日常生活中发挥着重要作用。纳米材料的应用范围包括提高能源效率、增强医疗诊断能力和减轻环境污染,因此是实现可持续发展目标的一种多层面方法。为确保纳米材料的可持续和安全利用,必须对其整个生命周期(从资源提取和生产到使用和处置)的潜在危害和风险进行全面评估。在本综述中,我们重点关注了解和解决与纳米材料利用相关的潜在环境和健康风险。我们主张采用一种平衡的方法,包括早期危害识别、安全设计原则和生命周期评估,同时强调安全处理和处置实践、协作和持续改进。我们的目标是通过整合科学、伦理和前瞻性风险评估的整体方法,确保负责任地开发纳米技术,在促进创新的同时,为环境和社区带来福祉。
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引用次数: 0
EquipSent - Enabling Sustainable Education, Everywhere. EquipSent - 让可持续教育无处不在。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.2533/chimia.2024.427
Elise Komarczuk, Laura Galazzo, Sergei Kuzin, Jörg Fischer, Markus Teucher

EquipSent is a volunteer-based non-profit organization aiming at creating conditions for sustainable teaching, study, and academic research worldwide. Used, functional equipment is collected by its members, who are responsible for matching the donations with the receivers in need. After starting in 2017, nine big transfers were accomplished that significantly impacted the quality of local scientific and educational life. In this article, we show how EquipSent as an organization strives to align with the Sustainable Development Goals (SDG) in Chemistry in Switzerland.

EquipSent 是一个以志愿者为基础的非营利组织,旨在为全世界的可持续教学、学习和学术研究创造条件。二手的功能性设备由其成员收集,他们负责将捐赠物与有需要的接收者进行匹配。自 2017 年启动以来,已完成了九次大额转让,对当地科学和教育生活的质量产生了重大影响。在这篇文章中,我们将展示 EquipSent 作为一个组织,是如何在瑞士化学领域努力实现可持续发展目标(SDG)的。
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引用次数: 0
Women in Natural Sciences (WiNS) at ETH Zurich Celebrates its 10th Anniversary - A Retrospective and Outlook. 苏黎世联邦理工学院自然科学妇女组织 (WiNS) 庆祝成立十周年--回顾与展望。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.2533/chimia.2024.431
Valentina Gasser, Amrita Singh-Morgan, Magdalena Lederbauer, Mercede Azizbaig Mohajer, Elise Komarczuk

For this CHIMIA special issue on the United Nations Sustainable Development Goals (SDGs) and the coincidental 10th anniversary of the association of Women in Natural Sciences (WiNS) at ETH Zurich, there is no better opportunity to share what we have achieved in the last decade. WiNS was originally founded by female PhD students and PostDocs at the Department of Chemistry and Applied Biosciences (D-CHAB) and has expanded to include three additional departments at ETH Zurich. Join us in celebrating our anniversary, reflecting on what we and other associations with the same mission have done to promote gender equality and reduced inequalities for all. We invite you to reflect on what yet has to be done to enact a systemic change towards achieving equal opportunities for all, rather than simply accommodating the female perspective to Switzerland's predominantly masculine working culture.

本期《CHIMIA》特刊的主题是联合国可持续发展目标 (SDGs),恰逢苏黎世联邦理工学院自然科学女性协会 (WiNS) 成立十周年,因此没有比这更好的机会来分享我们在过去十年中取得的成就了。WiNS 最初由化学与应用生物科学系(D-CHAB)的女博士生和博士后创立,现已扩展到苏黎世联邦理工学院的另外三个系。与我们一起庆祝我们的周年纪念日,回顾我们和其他具有相同使命的协会在促进性别平等和减少所有人的不平等方面所做的工作。我们邀请您思考,要实现人人机会平等的系统性变革,而不仅仅是在瑞士男性占主导地位的工作文化中迎合女性的观点,还有哪些工作要做。
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引用次数: 0
Sustainable Development Goals in Chemistry in Switzerland. 瑞士化学中的可持续发展目标。
IF 1.1 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-26 DOI: 10.2533/chimia.2024.369
Jovana V Milić

The UN Sustainable Development Goals (SDGs) provide a framework for addressing some of the most pressing global challenges, from rising inequalities to economic growth and environmental impact. Chemistry is relevant to these issues and this Editorial reviews the contributions in the chemistry community in Switzerland.

联合国可持续发展目标(SDGs)为应对一些最紧迫的全球性挑战提供了一个框架,这些挑战包括日益加剧的不平等、经济增长和环境影响。化学与这些问题息息相关,本社论回顾了瑞士化学界的贡献。
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引用次数: 0
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Chimia
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