{"title":"The Chemist Who Stayed in Gaza","authors":"Laurel Oldach","doi":"10.1021/acscentsci.4c01418","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01418","url":null,"abstract":"Rami Morjan hopes to survive and rebuild.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Fantastic Frustrated Materials–and Where to Find Them","authors":"Christopher R. Wiebe","doi":"10.1021/acscentsci.4c01409","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01409","url":null,"abstract":"Symmetry and simulations can identify exotic magnetic materials for chemists to target in the laboratory.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sungjin Jeon, Teron Haynie, Samuel Chung, Cassandra E. Callmann
{"title":"Bioinspired, Carbohydrate-Containing Polymers Efficiently and Reversibly Sequester Heavy Metals","authors":"Sungjin Jeon, Teron Haynie, Samuel Chung, Cassandra E. Callmann","doi":"10.1021/acscentsci.4c01010","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01010","url":null,"abstract":"Water scarcity and heavy metal pollution are significant challenges in today’s industrialized world. Conventional heavy metal remediation methods are often inefficient and energy-intensive, and produce chemical sludge. To address these issues, we developed a bioinspired, carbohydrate-containing polymer system for efficient and selective heavy metal removal. Using ring opening metathesis polymerization, we synthesized polymers bearing amphiphilic glucuronate side chains capable of selectively binding heavy metal cations in mixed media. In samples containing high concentrations of heavy metals (>550 ppb), these polymers rapidly form a filterable precipitate upon metal capture, reducing the concentration of cation to <1.5 ppb within 3 min, as measured by inductively coupled plasma mass spectrometry. This system effectively removes cadmium ions from highly contaminated solutions to levels below the Agency for Toxic Substances and Disease Registry limit for Cd<sup>2+</sup> in drinking water and selectively removes both Cd<sup>2+</sup> and Pb<sup>2+</sup> from lake water spiked with trace amounts of metal. Acidification triggers protonation of the glucuronate groups, releasing the heavy metals and resolubilizing the polymer. This capture-and-release process can be repeated over multiple cycles without loss of binding capacity. As such, this study introduces a novel class of recyclable materials with pH-responsive properties, offering potential for applications in water remediation and beyond.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Central SciencePub Date : 2024-09-11DOI: 10.1021/acscentsci.4c0101010.1021/acscentsci.4c01010
Sungjin Jeon, Teron Haynie, Samuel Chung and Cassandra E. Callmann*,
{"title":"Bioinspired, Carbohydrate-Containing Polymers Efficiently and Reversibly Sequester Heavy Metals","authors":"Sungjin Jeon, Teron Haynie, Samuel Chung and Cassandra E. Callmann*, ","doi":"10.1021/acscentsci.4c0101010.1021/acscentsci.4c01010","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01010https://doi.org/10.1021/acscentsci.4c01010","url":null,"abstract":"<p >Water scarcity and heavy metal pollution are significant challenges in today’s industrialized world. Conventional heavy metal remediation methods are often inefficient and energy-intensive, and produce chemical sludge. To address these issues, we developed a bioinspired, carbohydrate-containing polymer system for efficient and selective heavy metal removal. Using ring opening metathesis polymerization, we synthesized polymers bearing amphiphilic glucuronate side chains capable of selectively binding heavy metal cations in mixed media. In samples containing high concentrations of heavy metals (>550 ppb), these polymers rapidly form a filterable precipitate upon metal capture, reducing the concentration of cation to <1.5 ppb within 3 min, as measured by inductively coupled plasma mass spectrometry. This system effectively removes cadmium ions from highly contaminated solutions to levels below the Agency for Toxic Substances and Disease Registry limit for Cd<sup>2+</sup> in drinking water and selectively removes both Cd<sup>2+</sup> and Pb<sup>2+</sup> from lake water spiked with trace amounts of metal. Acidification triggers protonation of the glucuronate groups, releasing the heavy metals and resolubilizing the polymer. This capture-and-release process can be repeated over multiple cycles without loss of binding capacity. As such, this study introduces a novel class of recyclable materials with pH-responsive properties, offering potential for applications in water remediation and beyond.</p><p >A novel carbohydrate-based polymer removes heavy metals from water, forming a recyclable, pH-responsive precipitate. It is highly efficient, needs no carrier matrix, and holds promise for water remediation.</p>","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":12.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acscentsci.4c01010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142318209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Discovering Classical Spin Liquids by Topological Search of High Symmetry Nets","authors":"Joseph A. M. Paddison, Matthew J. Cliffe","doi":"10.1021/acscentsci.4c01020","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01020","url":null,"abstract":"Spin liquids are a paradigmatic example of a nontrivial state of matter. The search for new spin liquids is a key interdisciplinary challenge. Geometrical frustration─where the geometry of the net that the spins occupy precludes the generation of a simple ordered state─is a particularly fruitful way to generate these intrinsically disordered states. Prior focus has been on a handful of high symmetry nets. There are, however, many three-dimensional nets, each of which has the potential to form unique states. In this paper, we investigate the high symmetry nets─those which are both vertex- and edge-transitive─for the simplest possible interaction sets: nearest-neighbor couplings of antiferromagnetic Heisenberg and Ising spins. While the well-known <b>crs</b> (pyrochlore) net is the only nearest-neighbor Heisenberg antiferromagnet which does not order, we identify two new frustrated nets (<b>lcx</b> and <b>thp</b>) possessing finite temperature Heisenberg spin-liquid states with strongly suppressed magnetic ordering and noncollinear ground states. With Ising spins, we identify three new classical spin liquids that do not order down to <i>T</i>/<i>J</i> = 0.01. We highlight materials that contain these high symmetry nets, and which could, if substituted with appropriate magnetic ions, potentially host these unusual states. Our systematic survey will guide searches for novel magnetic phases.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Conversation with Alba Álvarez-Martín","authors":"Jonathan Feakins","doi":"10.1021/acscentsci.4c01408","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01408","url":null,"abstract":"The cultural heritage scientist is adapting a medical imaging technique to analyze paintings in Amsterdam’s Rijksmuseum.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Central SciencePub Date : 2024-09-10DOI: 10.1021/acscentsci.4c0140810.1021/acscentsci.4c01408
Jonathan Feakins,
{"title":"A Conversation with Alba Álvarez-Martín","authors":"Jonathan Feakins, ","doi":"10.1021/acscentsci.4c0140810.1021/acscentsci.4c01408","DOIUrl":"https://doi.org/10.1021/acscentsci.4c01408https://doi.org/10.1021/acscentsci.4c01408","url":null,"abstract":"<p >The cultural heritage scientist is adapting a medical imaging technique to analyze paintings in Amsterdam’s Rijksmuseum.</p>","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":12.7,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acscentsci.4c01408","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142318440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Loss of Diphthamide Increases DNA Replication Stress in Mammalian Cells by Modulating the Translation of RRM1","authors":"Jiaqi Zhao, Byunghyun Ahn, Hening Lin","doi":"10.1021/acscentsci.4c00967","DOIUrl":"https://doi.org/10.1021/acscentsci.4c00967","url":null,"abstract":"Diphthamide (DPH) is a highly conserved post-translational modification exclusively present in eukaryotic translation elongation factor 2 (eEF2), with its loss leading to embryonic lethality in mice and developmental disorders in humans. In this study, we unveil the role of diphthamide in mammalian cell DNA damage stress, with a particular emphasis on DNA replication stress. We developed a systematic strategy to identify human proteins affected by diphthamide with a combination of computational profiling and quantitative proteomics. Through this approach, we determine that the translation of RRM1 is modulated by diphthamide via −1 frameshifting. Importantly, our results reveal that the dysregulation of RRM1 translation in DPH-deficient cells is causally linked to elevated DNA replication stress. These findings provide a potential explanation for how diphthamide deficiency leads to cancer and developmental defects in humans.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinyi Yang, Volga Kojasoy, Gerard J. Porter, Ronald T. Raines
{"title":"Pauli Exclusion by n→π* Interactions: Implications for Paleobiology","authors":"Jinyi Yang, Volga Kojasoy, Gerard J. Porter, Ronald T. Raines","doi":"10.1021/acscentsci.4c00971","DOIUrl":"https://doi.org/10.1021/acscentsci.4c00971","url":null,"abstract":"Proteins have evolved to function in an aqueous environment. Collagen, which provides the bodily scaffold for animals, has a special need to retain its integrity. This need was addressed early on, as intact collagen has been detected in dinosaur fossils, even though peptide bonds have a half-life of only ∼500 years in a neutral aqueous solution. We sought to discover the physicochemical basis for this remarkable resistance to hydrolysis. Using experimental and computational methods, we found that a main-chain acyl group can be protected from hydrolysis by an O···C═O n→π* interaction with a neighboring acyl group. These interactions engage virtually every peptide bond in a collagen triple helix. This protection, which arises from the Pauli exclusion principle, could underlie the preservation of ancient collagen.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Minhi Han, Joonyoung F. Joung, Minseok Jeong, Dong Hoon Choi, Sungnam Park
{"title":"Generative Deep Learning-Based Efficient Design of Organic Molecules with Tailored Properties","authors":"Minhi Han, Joonyoung F. Joung, Minseok Jeong, Dong Hoon Choi, Sungnam Park","doi":"10.1021/acscentsci.4c00656","DOIUrl":"https://doi.org/10.1021/acscentsci.4c00656","url":null,"abstract":"Innovative approaches to design molecules with tailored properties are required in various research areas. Deep learning methods can accelerate the discovery of new materials by leveraging molecular structure–property relationships. In this study, we successfully developed a generative deep learning (Gen-DL) model that was trained on a large experimental database (DB<sub>exp</sub>) including 71,424 molecule/solvent pairs and was able to design molecules with target properties in various solvents. The Gen-DL model can generate molecules with specified optical properties, such as electronic absorption/emission peak position and bandwidth, extinction coefficient, photoluminescence (PL) quantum yield, and PL lifetime. The Gen-DL model was shown to leverage the essential design principles of conjugation effects, Stokes shifts, and solvent effects when it generated molecules with target optical properties. Additionally, the Gen-DL model was demonstrated to generate practically useful molecules developed for real-world applications. Accordingly, the Gen-DL model can be a promising tool for the discovery and design of novel molecules with tailored properties in various research areas, such as organic photovoltaics (OPVs), organic light-emitting diodes (OLEDs), organic photodiodes (OPDs), bioimaging dyes, and so on.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":null,"pages":null},"PeriodicalIF":18.2,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142217931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}