{"results":[{"id":"ss_7e18645c6ac8d24e75bbbc3ed662378ad6e5e1e4","title":"The Chemistry of Clay-Organic Reactions","authors":[{"name":"B. Theng"}],"abstract":"","source":"Semantic Scholar","year":2024,"language":"en","subjects":["Chemistry"],"doi":"10.1201/9781003080244","url":"https://www.semanticscholar.org/paper/7e18645c6ac8d24e75bbbc3ed662378ad6e5e1e4","is_open_access":true,"citations":1209,"published_at":"","score":98},{"id":"ss_0cc94167f2f649ac5e4df119c98faffefae5a27f","title":"Photoredox Catalysis in Organic Chemistry","authors":[{"name":"M. H. Shaw"},{"name":"Jack Twilton"},{"name":"D. MacMillan"}],"abstract":"In recent years, photoredox catalysis has come to the forefront in organic chemistry as a powerful strategy for the activation of small molecules. In a general sense, these approaches rely on the ability of metal complexes and organic dyes to convert visible light into chemical energy by engaging in single-electron transfer with organic substrates, thereby generating reactive intermediates. In this Perspective, we highlight the unique ability of photoredox catalysis to expedite the development of completely new reaction mechanisms, with particular emphasis placed on multicatalytic strategies that enable the construction of challenging carbon–carbon and carbon–heteroatom bonds.","source":"Semantic Scholar","year":2016,"language":"en","subjects":["Chemistry","Medicine"],"doi":"10.1021/acs.joc.6b01449","url":"https://www.semanticscholar.org/paper/0cc94167f2f649ac5e4df119c98faffefae5a27f","pdf_url":"https://doi.org/10.1021/acs.joc.6b01449","is_open_access":true,"citations":2081,"published_at":"","score":90},{"id":"ss_035ece5ff33ac4f4c7b5935aca8e5cc419717566","title":"The Chemistry and Applications of Metal-Organic Frameworks","authors":[{"name":"H. Furukawa"},{"name":"K. E. Cordova"},{"name":"M. O'Keeffe"},{"name":"O. Yaghi"}],"abstract":"","source":"Semantic Scholar","year":2013,"language":"en","subjects":["Chemistry","Medicine"],"doi":"10.1126/science.1230444","url":"https://www.semanticscholar.org/paper/035ece5ff33ac4f4c7b5935aca8e5cc419717566","is_open_access":true,"citations":13474,"published_at":"","score":87},{"id":"ss_88e23044396b7c63e831ad0195b6184ea3a12097","title":"Environmental Organic Chemistry","authors":[{"name":"R. Schwarzenbach"},{"name":"P. Gschwend"},{"name":"D. Imboden"}],"abstract":"","source":"Semantic Scholar","year":1993,"language":"en","subjects":["Chemistry"],"doi":"10.5860/choice.30-6184","url":"https://www.semanticscholar.org/paper/88e23044396b7c63e831ad0195b6184ea3a12097","is_open_access":true,"citations":4359,"published_at":"","score":80},{"id":"ss_af1d52565f3ed8823471af0d9d5a9a1396d0ebad","title":"Solvents and Solvent Effects in Organic Chemistry","authors":[{"name":"C. Reichardt"}],"abstract":"","source":"Semantic Scholar","year":1988,"language":"en","subjects":["Chemistry"],"doi":"10.1002/3527601791","url":"https://www.semanticscholar.org/paper/af1d52565f3ed8823471af0d9d5a9a1396d0ebad","is_open_access":true,"citations":5678,"published_at":"","score":80},{"id":"ss_dd4c485601629fb306fa2a852b5c5025ccb0b711","title":"Organic Chemistry:","authors":[{"name":"Alex J. Roche"}],"abstract":"","source":"Semantic Scholar","year":1982,"language":"en","subjects":null,"doi":"10.1038/142416d0","url":"https://www.semanticscholar.org/paper/dd4c485601629fb306fa2a852b5c5025ccb0b711","pdf_url":"https://www.nature.com/articles/142416d0.pdf","is_open_access":true,"citations":3893,"published_at":"","score":80},{"id":"ss_a198bb1b41166495ecc3e5caef16e25494eacef1","title":"Vogel's Textbook of Practical Organic Chemistry","authors":[{"name":"A. Vogel"},{"name":"B. Furniss"}],"abstract":"","source":"Semantic Scholar","year":2003,"language":"en","subjects":["Chemistry"],"url":"https://www.semanticscholar.org/paper/a198bb1b41166495ecc3e5caef16e25494eacef1","is_open_access":true,"citations":4163,"published_at":"","score":80},{"id":"ss_4555072edecfab96ddeccc161217a6cf215b87ed","title":"Advanced Organic Chemistry: Reactions, Mechanisms, and Structure","authors":[{"name":"J. March"}],"abstract":"","source":"Semantic Scholar","year":1977,"language":"en","subjects":["Chemistry"],"url":"https://www.semanticscholar.org/paper/4555072edecfab96ddeccc161217a6cf215b87ed","is_open_access":true,"citations":3389,"published_at":"","score":80},{"id":"ss_b720ff3bdf179d65cb492d232d2a196147c4217e","title":"Using Physical Organic Chemistry To Shape the Course of Electrochemical Reactions.","authors":[{"name":"K. Moeller"}],"abstract":"","source":"Semantic Scholar","year":2018,"language":"en","subjects":["Chemistry","Medicine"],"doi":"10.1021/acs.chemrev.7b00656","url":"https://www.semanticscholar.org/paper/b720ff3bdf179d65cb492d232d2a196147c4217e","is_open_access":true,"citations":460,"published_at":"","score":75.8},{"id":"ss_0226d4f34e1eca55a1012096d0c01bd557439092","title":"Covalent Organic Frameworks: Organic Chemistry Extended into Two and Three Dimensions","authors":[{"name":"Steven J Lyle"},{"name":"Peter J. Waller"},{"name":"O. Yaghi"}],"abstract":"Covalent organic frameworks are constructed by covalently linking organic molecules into crystalline 2D and 3D networks. Their architectural and chemical stability, coupled with their porosity, has allowed them to be used as starting materials and products of molecular organic reactions. Increasingly sophisticated structural and chemical design strategies have enabled the synthesis of complex 3D, 2D, and 1D (weaving) structures from geometrically predefined building blocks. Like small molecules, these materials allow for precise spatial organization of chemical functionalities but do so at length scales ranging from a few angstroms to several microns.","source":"Semantic Scholar","year":2019,"language":"en","subjects":["Materials Science"],"doi":"10.1016/J.TRECHM.2019.03.001","url":"https://www.semanticscholar.org/paper/0226d4f34e1eca55a1012096d0c01bd557439092","is_open_access":true,"citations":245,"published_at":"","score":70.35},{"id":"ss_4f726dc4be701267a46284fc1ab5cd68548b83d5","title":"Synthetic organic chemistry driven by artificial intelligence","authors":[{"name":"A. Filipa de Almeida"},{"name":"R. Moreira"},{"name":"T. Rodrigues"}],"abstract":"","source":"Semantic Scholar","year":2019,"language":"en","subjects":["Computer Science"],"doi":"10.1038/s41570-019-0124-0","url":"https://www.semanticscholar.org/paper/4f726dc4be701267a46284fc1ab5cd68548b83d5","pdf_url":"https://www.nature.com/articles/s41570-019-0124-0.pdf","is_open_access":true,"citations":231,"published_at":"","score":69.93},{"id":"doaj_10.3390/molecules30132777","title":"Pairwise Performance Comparison of Docking Scoring Functions: Computational Approach Using InterCriteria Analysis","authors":[{"name":"Maria Angelova"},{"name":"Petko Alov"},{"name":"Ivanka Tsakovska"},{"name":"Dessislava Jereva"},{"name":"Iglika Lessigiarska"},{"name":"Krassimir Atanassov"},{"name":"Ilza Pajeva"},{"name":"Tania Pencheva"}],"abstract":"Scoring functions are key elements in docking protocols as they approximate the binding affinity of a ligand (usually a small bioactive molecule) by calculating its interaction energy with a biomacromolecule (usually a protein). In this study, we present a pairwise comparison of scoring functions applying a multi-criterion decision-making approach based on InterCriteria analysis (ICrA). As criteria, the five scoring functions implemented in MOE (Molecular Operating Environment) software were selected, and their performance on a set of protein–ligand complexes from the PDBbind database was compared. The following docking outputs were used: the best docking score, the lowest root mean square deviation (RMSD) between the predicted poses and the co-crystallized ligand, the RMSD between the best docking score pose and the co-crystallized ligand, and the docking score of the pose with the lowest RMSD to the co-crystallized ligand. The impact of ICrA thresholds on the relations between the scoring functions was investigated. A correlation analysis was also performed and juxtaposed with the ICrA. Our results reveal the lowest RMSD as the best-performing docking output and two scoring functions (Alpha HB and London dG) as having the highest comparability. The proposed approach can be applied to any other scoring functions and protein–ligand complexes of interest.","source":"DOAJ","year":2025,"language":"","subjects":["Organic chemistry"],"doi":"10.3390/molecules30132777","url":"https://www.mdpi.com/1420-3049/30/13/2777","is_open_access":true,"published_at":"","score":69},{"id":"ss_efd38158dac2e5259bbfb0449a4684eb0c624c7b","title":"Water as the reaction medium in organic chemistry: from our worst enemy to our best friend","authors":[{"name":"M. Cortes‐Clerget"},{"name":"Julie Yu"},{"name":"Joseph R. A. Kincaid"},{"name":"P. Walde"},{"name":"F. Gallou"},{"name":"B. Lipshutz"}],"abstract":"A review presenting water as the logical reaction medium for the future of organic chemistry. A discussion is offered that covers both the “on water” and “in water” phenomena, and how water is playing unique roles in each, specifically with regard to its use in organic synthesis.","source":"Semantic Scholar","year":2021,"language":"en","subjects":["Medicine","Environmental Science"],"doi":"10.1039/d0sc06000c","url":"https://www.semanticscholar.org/paper/efd38158dac2e5259bbfb0449a4684eb0c624c7b","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2021/sc/d0sc06000c","is_open_access":true,"citations":133,"published_at":"","score":68.99000000000001},{"id":"ss_79f5317ecba2f7757bd60416bd1277218d2b8d93","title":"Solute–Solvent Interactions in Modern Physical Organic Chemistry: Supramolecular Polymers as a Muse","authors":[{"name":"Mathijs F. J. Mabesoone"},{"name":"A. Palmans"},{"name":"E. Meijer"}],"abstract":"Interactions between solvents and solutes are a cornerstone of physical organic chemistry and have been the subject of investigations over the last century. In recent years, a renewed interest in fundamental aspects of solute–solvent interactions has been sparked in the field of supramolecular chemistry in general and that of supramolecular polymers in particular. Although solvent effects in supramolecular chemistry have been recognized for a long time, the unique opportunities that supramolecular polymers offer to gain insight into solute–solvent interactions have become clear relatively recently. The multiple interactions that hold the supramolecular polymeric structure together are similar in strength to those between solute and solvent. The cooperativity found in ordered supramolecular polymers leads to the possibility of amplifying these solute–solvent effects and will shed light on extremely subtle solvation phenomena. As a result, many exciting effects of solute–solvent interactions in modern physical organic chemistry can be studied using supramolecular polymers. Our aim is to put the recent progress into a historical context and provide avenues toward a more comprehensive understanding of solvents in multicomponent supramolecular systems.","source":"Semantic Scholar","year":2020,"language":"en","subjects":["Medicine","Chemistry"],"doi":"10.1021/jacs.0c09293","url":"https://www.semanticscholar.org/paper/79f5317ecba2f7757bd60416bd1277218d2b8d93","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/jacs.0c09293","is_open_access":true,"citations":153,"published_at":"","score":68.59},{"id":"ss_845022a4f4c5b417e2c17d021a64825ba44792fd","title":"The Evolution of Data-Driven Modeling in Organic Chemistry","authors":[{"name":"W. Williams"},{"name":"Lingyu Zeng"},{"name":"T. Gensch"},{"name":"M. Sigman"},{"name":"A. Doyle"},{"name":"E. Anslyn"}],"abstract":"Organic chemistry is replete with complex relationships: for example, how a reactant’s structure relates to the resulting product formed; how reaction conditions relate to yield; how a catalyst’s structure relates to enantioselectivity. Questions like these are at the foundation of understanding reactivity and developing novel and improved reactions. An approach to probing these questions that is both longstanding and contemporary is data-driven modeling. Here, we provide a synopsis of the history of data-driven modeling in organic chemistry and the terms used to describe these endeavors. We include a timeline of the steps that led to its current state. The case studies included highlight how, as a community, we have advanced physical organic chemistry tools with the aid of computers and data to augment the intuition of expert chemists and to facilitate the prediction of structure–activity and structure–property relationships.","source":"Semantic Scholar","year":2021,"language":"en","subjects":["Medicine"],"doi":"10.1021/acscentsci.1c00535","url":"https://www.semanticscholar.org/paper/845022a4f4c5b417e2c17d021a64825ba44792fd","pdf_url":"https://doi.org/10.1021/acscentsci.1c00535","is_open_access":true,"citations":112,"published_at":"","score":68.36},{"id":"doaj_10.3390/molecules29092136","title":"Asymmetric Synthesis of Three Alkenyl Epoxides: Crafting the Sex Pheromones of the Elm Spanworm and the Painted Apple Moth","authors":[{"name":"Yun Zhou"},{"name":"Jianan Wang"},{"name":"Beijing Tian"},{"name":"Yanwei Zhu"},{"name":"Yujuan Zhang"},{"name":"Jinlong Han"},{"name":"Jiangchun Zhong"},{"name":"Chenggang Shan"}],"abstract":"A concise synthesis of the sex pheromones of elm spanworm as well as painted apple moth has been achieved. The key steps were the alkylation of acetylide ion, Sharpless asymmetric epoxidation and Brown’s P2-Ni reduction. This approach provided the sex pheromone of the elm spanworm (\u003cb\u003e1\u003c/b\u003e) in 31% total yield and those of the painted apple moth (\u003cb\u003e2\u003c/b\u003e, \u003cb\u003e3\u003c/b\u003e) in 26% and 32% total yields. The ee values of three final products were up to 99%. The synthesized pheromones hold promising potential for use in the management and control of these pests.","source":"DOAJ","year":2024,"language":"","subjects":["Organic chemistry"],"doi":"10.3390/molecules29092136","url":"https://www.mdpi.com/1420-3049/29/9/2136","is_open_access":true,"published_at":"","score":68},{"id":"doaj_10.3390/molecules29122829","title":"Composite 2D Material-Based Pervaporation Membranes for Liquid Separation: A Review","authors":[{"name":"Roberto Castro-Muñoz"}],"abstract":"Today, chemistry and nanotechnology cover molecular separations in liquid and gas states by aiding in the design of new nano-sized materials. In this regard, the synthesis and application of two-dimensional (2D) nanomaterials are current fields of research in which structurally defined 2D materials are being used in membrane separation either in self-standing membranes or composites with polymer phases. For instance, pervaporation (PV), as a highly selective technology for liquid separation, benefits from using 2D materials to selectively transport water or other solvent molecules. Therefore, this review paper offers an interesting update in revising the ongoing progress of PV membranes using 2D materials in several applications, including solvent purification (the removal of water from organic systems), organics removal (the removal of organic molecules diluted in water systems), and desalination (selective water transport from seawater). In general, recent reports from the past 3 years have been discussed and analyzed. Attention has been devoted to the proposed strategies and fabrication of membranes for the inclusion of 2D materials into polymer phases. Finally, the future trends and current research gaps are declared for the scientists in the field.","source":"DOAJ","year":2024,"language":"","subjects":["Organic chemistry"],"doi":"10.3390/molecules29122829","url":"https://www.mdpi.com/1420-3049/29/12/2829","is_open_access":true,"published_at":"","score":68},{"id":"ss_2b57a9a3e4f6bed08ba21f2e73fec6e3e6871a89","title":"The symbiotic relationship between drug discovery and organic chemistry.","authors":[{"name":"O. Grygorenko"},{"name":"D. Volochnyuk"},{"name":"S. Ryabukhin"},{"name":"D. Judd"}],"abstract":"All pharmaceutical products contain organic molecules; the source may be a natural product or a fully synthetic molecule, or a combination of both. Thus it follows that organic chemistry underpins both existing and upcoming pharmaceutical products. The reverse relationship has also affected organic synthesis, changing its landscape towards increasingly complex targets. This review sets out to give a concise appraisal of this symbiotic relationship between organic chemistry and drug discovery, along with discussing the design concepts, highlighting key milestones along the journey. In particular, criteria for a high-quality compound library design enabling efficient virtual navigation of chemical space, as well as rise and fall of concepts for its synthetic exploration (such as combinatorial chemistry, diversity-, biology-, lead-, or fragment-oriented syntheses, DNA-encoded libraries etc.) are critically surveyed.","source":"Semantic Scholar","year":2020,"language":"en","subjects":["Medicine","Chemistry"],"doi":"10.1002/chem.201903232","url":"https://www.semanticscholar.org/paper/2b57a9a3e4f6bed08ba21f2e73fec6e3e6871a89","is_open_access":true,"citations":129,"published_at":"","score":67.87},{"id":"ss_b9806836cf6cf19c95318b437576d2a2940d9e35","title":"Production and Evaluation of a Realistic Immersive Virtual Reality Organic Chemistry Laboratory Experience: Infrared Spectroscopy","authors":[{"name":"Cathi L. Dunnagan"},{"name":"Devran A. Dannenberg"},{"name":"Michael P. Cuales"},{"name":"Arthur D. Earnest"},{"name":"Richard M. Gurnsey"},{"name":"M. Gallardo-Williams"}],"abstract":"Using virtual reality (VR) in educational settings is becoming increasingly popular. The feasibility of replacing an instrumentation-based organic chemistry lab with a VR experience has been evalua...","source":"Semantic Scholar","year":2020,"language":"en","subjects":["Computer Science"],"doi":"10.1021/acs.jchemed.9b00705","url":"https://www.semanticscholar.org/paper/b9806836cf6cf19c95318b437576d2a2940d9e35","is_open_access":true,"citations":114,"published_at":"","score":67.42},{"id":"ss_dc48f101ca4b0ae1d9178c6d4fd652446697e4a3","title":"Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021)","authors":[{"name":"C. Perrin"},{"name":"I. Agranat"},{"name":"A. Bagno"},{"name":"S. Braslavsky"},{"name":"P. Fernandes"},{"name":"J. Gal"},{"name":"G. Lloyd‐Jones"},{"name":"H. Mayr"},{"name":"J. Murdoch"},{"name":"N. Nudelman"},{"name":"L. Radom"},{"name":"Z. Rappoport"},{"name":"M. Ruasse"},{"name":"H. Siehl"},{"name":"Y. Takeuchi"},{"name":"T. Tidwell"},{"name":"E. Uggerud"},{"name":"I. H. Williams"}],"abstract":"Abstract This Glossary contains definitions, explanatory notes, and sources for terms used in physical organic chemistry. Its aim is to provide guidance on the terminology of physical organic chemistry, with a view to achieving a consensus on the meaning and applicability of useful terms and the abandonment of unsatisfactory ones. Owing to the substantial progress in the field, this 2021 revision of the Glossary is much expanded relative to the previous edition, and it includes terms from cognate fields.","source":"Semantic Scholar","year":2022,"language":"en","subjects":null,"doi":"10.1515/pac-2018-1010","url":"https://www.semanticscholar.org/paper/dc48f101ca4b0ae1d9178c6d4fd652446697e4a3","pdf_url":"https://www.degruyter.com/document/doi/10.1515/pac-2018-1010/pdf","is_open_access":true,"citations":47,"published_at":"","score":67.41}],"total":3298253,"page":1,"page_size":20,"sources":["DOAJ","Semantic Scholar"],"query":"Organic chemistry"}