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.
{"title":"Exploring Sensitized Photon Upconversion - From Past to Present.","authors":"Colette M Sullivan, Lea Nienhaus","doi":"10.2533/chimia.2024.518","DOIUrl":"https://doi.org/10.2533/chimia.2024.518","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Do we really need ligands in Ir-catalyzed C-H borylation?","authors":"Janis M Zakis, Simone L Kuhn, Joanna Wencel-Delord, Tomas Smejkal","doi":"10.2533/chimia.2024.513","DOIUrl":"https://doi.org/10.2533/chimia.2024.513","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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).
{"title":"A Decade of Computational Mass Spectrometry from Reference Spectra to Deep Learning.","authors":"Michael A Stravs","doi":"10.2533/chimia.2024.525","DOIUrl":"https://doi.org/10.2533/chimia.2024.525","url":null,"abstract":"<p><p>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).</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Enhancing Drug Discovery and Development through the Integration of Medicinal Chemistry, Chemical Biology, and Academia-Industry Partnerships: Insights from Roche's Endocannabinoid System Projects.","authors":"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","doi":"10.2533/chimia.2024.499","DOIUrl":"10.2533/chimia.2024.499","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Editorial.","authors":"Christian G Bochet","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Building Solid-State Batteries: Insights from Swiss Research Labs.","authors":"Kostiantyn V Kravchyk, Corsin Battaglia, Valerie Siller, Barthélémy Lelotte, Mario El Kazzi, Jedrzej Morzy, Moritz Futscher, Yaroslav Romanyuk, Michael Stalder, Axel Fuerst, Maksym Kovalenko","doi":"10.2533/chimia.2024.403","DOIUrl":"https://doi.org/10.2533/chimia.2024.403","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141466540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Understanding The Benefits and Risks of Sustainable Nanomaterials in a Research Environment.","authors":"Sandeep Keshavan, Alke Petri-Fink, Barbara Rothen-Rutishauser","doi":"10.2533/chimia.2024.397","DOIUrl":"https://doi.org/10.2533/chimia.2024.397","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141466550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"EquipSent - Enabling Sustainable Education, Everywhere.","authors":"Elise Komarczuk, Laura Galazzo, Sergei Kuzin, Jörg Fischer, Markus Teucher","doi":"10.2533/chimia.2024.427","DOIUrl":"https://doi.org/10.2533/chimia.2024.427","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141466544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Women in Natural Sciences (WiNS) at ETH Zurich Celebrates its 10th Anniversary - A Retrospective and Outlook.","authors":"Valentina Gasser, Amrita Singh-Morgan, Magdalena Lederbauer, Mercede Azizbaig Mohajer, Elise Komarczuk","doi":"10.2533/chimia.2024.431","DOIUrl":"https://doi.org/10.2533/chimia.2024.431","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141466551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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.
{"title":"Sustainable Development Goals in Chemistry in Switzerland.","authors":"Jovana V Milić","doi":"10.2533/chimia.2024.369","DOIUrl":"https://doi.org/10.2533/chimia.2024.369","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141466548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}