Stefan T. Bromley, Sandra Brünken, Cecilia Ceccarelli, Martin Cordiner, Kristen Darnell, Gwenaëlle Dufour, Athena Flint, Robin T. Garrod, Murthy S. Gudipati, Joshua Halpern, Eric Herbst, Ko-Yun Huang, Inga Kamp, Nikku Madhusudhan, Martin R. S. McCoustra, Arthur G. Suits, Marie Van de Sande, Ewine F. van Dishoeck, Serena Viti and Laurent Wiesenfeld
{"title":"Computational astrochemistry: general discussion","authors":"Stefan T. Bromley, Sandra Brünken, Cecilia Ceccarelli, Martin Cordiner, Kristen Darnell, Gwenaëlle Dufour, Athena Flint, Robin T. Garrod, Murthy S. Gudipati, Joshua Halpern, Eric Herbst, Ko-Yun Huang, Inga Kamp, Nikku Madhusudhan, Martin R. S. McCoustra, Arthur G. Suits, Marie Van de Sande, Ewine F. van Dishoeck, Serena Viti and Laurent Wiesenfeld","doi":"10.1039/D3FD90027D","DOIUrl":"https://doi.org/10.1039/D3FD90027D","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 620-637"},"PeriodicalIF":3.4,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nadia Balucani, Mathieu Bertin, Michelle Brann, Wendy A. Brown, Cecilia Ceccarelli, Rafael Martín-Doménech, Jack Fulker, Robin T. Garrod, Joel Green, Murthy S. Gudipati, Dwayne E. Heard, Eric Herbst, Ugo Jacovella, Inga Kamp, Martin R. S. McCoustra, W. M. C. Sameera, Ian Sims, Ardjan Sturm, Serena Viti, Susanna Widicus Weaver, Laurent Wiesenfeld and Olivia H. Wilkins
{"title":"Laboratory astrochemistry of and on dust and ices: general discussion","authors":"Nadia Balucani, Mathieu Bertin, Michelle Brann, Wendy A. Brown, Cecilia Ceccarelli, Rafael Martín-Doménech, Jack Fulker, Robin T. Garrod, Joel Green, Murthy S. Gudipati, Dwayne E. Heard, Eric Herbst, Ugo Jacovella, Inga Kamp, Martin R. S. McCoustra, W. M. C. Sameera, Ian Sims, Ardjan Sturm, Serena Viti, Susanna Widicus Weaver, Laurent Wiesenfeld and Olivia H. Wilkins","doi":"10.1039/D3FD90026F","DOIUrl":"https://doi.org/10.1039/D3FD90026F","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 519-540"},"PeriodicalIF":3.4,"publicationDate":"2023-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Astrochemistry at high resolution: preface","authors":"Martin R. S. McCoustra","doi":"10.1039/D3FD90035E","DOIUrl":"https://doi.org/10.1039/D3FD90035E","url":null,"abstract":"<p >A graphical abstract is available for this content</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 9-10"},"PeriodicalIF":3.4,"publicationDate":"2023-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Logic gating of low-abundance molecules using polyelectrolyte-based diodes†","authors":"Barak Sabbagh, Zhenyu Zhang and Gilad Yossifon","doi":"10.1039/D3FD00061C","DOIUrl":"10.1039/D3FD00061C","url":null,"abstract":"<p >Bioinspired artificial ionic components are extensively utilized to mimic biological systems, as the vast majority of biological signaling is mediated by ions and molecules. Particular attention is given to nanoscale fluidic components where the ion transport can be regulated by the induced ion permselectivity. As a step from fundamentals toward ion-controlled devices, this study presents the use of ionic diodes made of oppositely charged polyelectrolytes, as a gate for low-abundance molecules. The use of ionic diodes that exhibited nonlinear current–voltage responses enabled realization of a basic Boolean operation of an ionic OR logic gate. Aside from the electrical response, the asymmetric ion transport through the diode was shown to affect the transport of low-abundance molecules across the diode, only allowing crossing when the diode was forward-biased. Integration of multiple diodes enabled implementation of an OR logic operation on both the voltage and the molecule transport, while obtaining electrical and optical output readouts that were associated with low and high logic levels. Similarly to electronics, implementation of logic gates opens up new functionalities of on-chip ionic computation <em>via</em> integrated circuits consisting of multiple basic logic gates.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"246 ","pages":" 141-156"},"PeriodicalIF":3.4,"publicationDate":"2023-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/fd/d3fd00061c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10018527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nikku Madhusudhan, Julianne I. Moses, Frances Rigby and Edouard Barrier
{"title":"Chemical conditions on Hycean worlds†","authors":"Nikku Madhusudhan, Julianne I. Moses, Frances Rigby and Edouard Barrier","doi":"10.1039/D3FD00075C","DOIUrl":"https://doi.org/10.1039/D3FD00075C","url":null,"abstract":"<p >Traditionally, the search for life on exoplanets has been predominantly focused on rocky exoplanets. The recently proposed Hycean worlds have the potential to significantly expand and accelerate the search for life elsewhere. Hycean worlds are a class of habitable sub-Neptunes with planet-wide oceans and H<small><sub>2</sub></small>-rich atmospheres. Their broad range of possible sizes and temperatures lead to a wide habitable zone and high potential for discovery and atmospheric characterization using transit spectroscopy. Over a dozen candidate Hycean planets are already known to be transiting nearby M dwarfs, making them promising targets for atmospheric characterization with the James Webb Space Telescope (JWST). In this work, we investigate possible chemical conditions on a canonical Hycean world, focusing on (a) the present and primordial molecular composition of the atmosphere, and (b) the inventory of bioessential elements for the origin and sustenance of life in the ocean. Based on photochemical and kinetic modeling for a range of conditions, we discuss the possible chemical evolution and observable present-day composition of its atmosphere. In particular, for reduced primordial conditions the early atmospheric evolution passes through a phase that is rich in organic molecules that could provide important feedstock for prebiotic chemistry. We investigate avenues for delivering bioessential metals to the ocean, considering the challenging lack of weathering from a rocky surface and the ocean separated from the rocky core by a thick icy mantle. Based on ocean depths from internal structure modelling and elemental estimates for the early Earth's oceans, we estimate the requirements for bioessential metals in such a planet. We find that the requirements can be met for plausible assumptions about impact history and atmospheric sedimentation, and supplemented by other steady state sources. We discuss the observational prospects for atmospheric characterisation of Hycean worlds with JWST and future directions of this new paradigm in the search for life on exoplanets.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 80-111"},"PeriodicalIF":3.4,"publicationDate":"2023-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/fd/d3fd00075c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Torsten Beweries, Michael R. Buchmeiser, Frances E. Bugden, Neil R. Champness, Basheer Chanbasha, Miquel Costas, Jorge Echeverria, Odile Eisenstein, Calum Ferguson, Joe C. Goodall, Rafael Gramage-Doria, Mark Greenhalgh, Matthew Gyton, Rens Ham, Pierre Kennepohl, Bartosz Lewandowski, Wei-Chun Liu, Stuart A. Macgregor, Kamran T. Mahmudov, Eva Meeus, Josh Morris, Pinkie Ntola, Tatjana N. Parac-Vogt, Robin N. Perutz, Albert Poater, David Powers, Paul R. Raithby, Joost N. H. Reek, Imogen Riddell, Thomas R. Ward, Andrew S. Weller and Helma Wennemers
{"title":"Make – underpinning concepts of the synthesis of systems where non-covalent interactions are important: general discussion","authors":"Torsten Beweries, Michael R. Buchmeiser, Frances E. Bugden, Neil R. Champness, Basheer Chanbasha, Miquel Costas, Jorge Echeverria, Odile Eisenstein, Calum Ferguson, Joe C. Goodall, Rafael Gramage-Doria, Mark Greenhalgh, Matthew Gyton, Rens Ham, Pierre Kennepohl, Bartosz Lewandowski, Wei-Chun Liu, Stuart A. Macgregor, Kamran T. Mahmudov, Eva Meeus, Josh Morris, Pinkie Ntola, Tatjana N. Parac-Vogt, Robin N. Perutz, Albert Poater, David Powers, Paul R. Raithby, Joost N. H. Reek, Imogen Riddell, Thomas R. Ward, Andrew S. Weller and Helma Wennemers","doi":"10.1039/D3FD90012F","DOIUrl":"https://doi.org/10.1039/D3FD90012F","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"244 ","pages":" 434-454"},"PeriodicalIF":3.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3936054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Concluding remarks: Iontronics, from fundamentals to ion-controlled devices – Random access memories","authors":"Lydéric Bocquet","doi":"10.1039/D3FD00138E","DOIUrl":"https://doi.org/10.1039/D3FD00138E","url":null,"abstract":"<p >Is this the dawn of iontronics? Iontronics underpins the notion of devices and ionic machines, whereby ion and water also act as information carriers. Thinking about iontronics gives a vision and a road map, with applications in the water–energy nexus.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"246 ","pages":" 618-622"},"PeriodicalIF":3.4,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41228407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Basheer Chanbasha, Miquel Costas, Jorge Echeverría, Odile Eisenstein, Mark Greenhalgh, Pierre Kennepohl, Adam Kirrander, Pim R. Linnebank, Stuart A. Macgregor, Kamran T. Mahmudov, Carlos Martín-Fernández, Eva Meeus, Josh Morris, Robin N. Perutz, Albert Poater, Joost N. H. Reek, Ian Rouse, Dean Toste, Cristina Trujillo, Thomas R. Ward, Julia A. Weinstein and Andrew S. Weller
{"title":"Model – state-of-the-art modelling and computational analysis of reactive sites: general discussion","authors":"Basheer Chanbasha, Miquel Costas, Jorge Echeverría, Odile Eisenstein, Mark Greenhalgh, Pierre Kennepohl, Adam Kirrander, Pim R. Linnebank, Stuart A. Macgregor, Kamran T. Mahmudov, Carlos Martín-Fernández, Eva Meeus, Josh Morris, Robin N. Perutz, Albert Poater, Joost N. H. Reek, Ian Rouse, Dean Toste, Cristina Trujillo, Thomas R. Ward, Julia A. Weinstein and Andrew S. Weller","doi":"10.1039/D3FD90015K","DOIUrl":"https://doi.org/10.1039/D3FD90015K","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"244 ","pages":" 336-355"},"PeriodicalIF":3.4,"publicationDate":"2023-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3694288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}