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Noncovalent Bonds Through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons
molecules Review Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons Wiktor Zierkiewicz 1,* , Mariusz Michalczyk 1,* and Steve Scheiner 2 1 Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeze˙ Wyspia´nskiego27, 50-370 Wrocław, Poland 2 Department of Chemistry and Biochemistry, Utah State University Logan, Logan, UT 84322-0300, USA; [email protected] * Correspondence: [email protected] (W.Z.); [email protected] (M.M.) Abstract: Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated. Their high directionality and strength, comparable to hydrogen bonds, has been documented in many fields of modern chemistry. The current review gathers and digests recent results concerning these bonds, with a focus on those systems where both σ and π-holes are present on the same molecule. The underlying principles guiding the bonding in both sorts of interactions are discussed, and the trends that emerge from recent work offer a guide as to how one might design systems that allow multiple noncovalent bonds to occur simultaneously, or that prefer one bond type over another. Keywords: molecular electrostatic potential; halogen bond; pnicogen bond; tetrel bond; chalcogen bond; cooperativity Citation: Zierkiewicz, W.; Michalczyk, M.; Scheiner, S. Noncovalent Bonds through Sigma and Pi-Hole Located on the Same 1. Introduction Molecule. Guiding Principles and The concept of the σ-hole, introduced to a wide audience in 2005 at a conference in Comparisons. Molecules 2021, 26, Prague by Tim Clark [1], influenced a way of thinking about noncovalent interactions 1740. -
MARC A. ILIES, Ph. D
Curriculum Vitae MARC A. ILIES, Ph. D. ____________________________________________________________________________________________________________________ Office Address: Temple University School of Pharmacy Department of Pharmaceutical Sciences 3307 North Broad Street, Suite 517 Philadelphia, PA-19140 Phone: 215-707-1749 ; Fax: 215-707-5620 Email: [email protected] PRESENT POSITION: Associate Professor Director of the NMR facilities of TU School of Pharmacy Member of the Moulder Center for Drug Discovery Research Member of the Temple Materials Institute Associate Member of the Center for Targeted Therapeutics and Translational Nanomedicine of the University of Pennsylvania EDUCATION NRSA/NIH Postdoctoral fellow, University of Pennsylvania Health System, Department of Pharmacology (2006-2007); Mentors: Professors Vladimir Muzykantov and Ian Blair Postdoctoral fellow, University of Pennsylvania, Department of Chemistry (2004- 2006); Mentor: Professor Virgil Percec Welch postdoctoral fellow, Texas A&M University, Galveston, TX, and Visiting scientist, University of Texas Medical Branch at Galveston, TX; (2001-2004); Mentors: Professors Alexandru T. Balaban, William A. Seitz, and E. Brad Thompson Ph. D., Chemistry, University “Politehnica” Bucharest, Romania, 2001 Thesis title: “Novel pyrylium and pyridinium salts with biological activity” Adviser: Professor Alexandru T. Balaban F. Rom. Acad. Sci. (presently Professor at Texas A&M University at Galveston, Galveston, TX) M. S., Chemistry, University of Bucharest, Bucharest, Romania, 1996 -
University at Buffalo, Chemical and Biological Engineering February 2, 2021
University at Buffalo, Chemical and Biological Engineering February 2, 2021 CURRICULUM VITAE Gang Wu, Ph. D., Professor Department of Chemical and Biological Engineering University at Buffalo (UB), The State University of New York (SUNY), Buffalo, New York, USA E-mail: [email protected]; Phone: 716-645-8618 (office) ; 803-338-4924 (cell) Web: www.cbe.buffalo.edu/wu Education • 2004. Ph.D.: Environmental Engineering, Harbin Institute of Technology, Harbin, China. • 1999. M.S.: Applied Chemistry, Harbin Institute of Technology, Harbin, China. • 1997. B.S: Electrochemical Engineering, Harbin Institute of Technology, Harbin, China. Employment History • Aug 2020- present, Professor, University at Buffalo, SUNY, USA • Aug 2018-Aug 2020, Associate Professor, University at Buffalo, SUNY, USA • Aug 2014-Aug 2018, Assistant Professor, University at Buffalo, SUNY, USA • May 2010-Aug 2014, Staff Scientist, Los Alamos National Laboratory (LANL), USA • Jan 2008-May 2010, Postdoc, Los Alamos National Laboratory, USA • Feb 2006-Jan 2008, Postdoc, University of South Carolina, USA • Jan 2004-Jan 2006, Postdoc, Tsinghua University, Beijing, China Major Research Interest • Electrochemical Science and Engineering for Energy Technologies; • Electrocatalysis and photocatalysis for clean energy conversion: fuel cells, electrolyzers, CO2 reduction; electrosynthesis; • Electrochemical energy power sources for energy storage: batteries and supercapacitors; • Renewable fuel: NH3 (electrosynthesis, oxidation, and carking for H2 generation). Key Achievements and Recognition • Dr. Wu is internationally recognized as the leading researcher in the field of fuel cells and other sustainable electrochemical energy technologies. • Awarded more than $5.0 M in grant funding from federal agencies (DOE and NSF) since joining UB in August 2014. Those 14 projects (3 NSF and 11 DOE) focus on the development of advanced materials for electrochemical energy conversion and storage technologies such as fuel cells, water splitting, batteries, and renewable fuel (e.g., NH3). -
The Royal Society of Chemistry Turns Its Focus on Researchers with Better Search and Measurement Tools
The Royal Society of Chemistry turns its focus on researchers with better search and measurement tools The Royal Society of Chemistry offers a publishing platform providing access to over a million chemical science articles, book chapters and abstracts. Like many publishers of high quality peer-reviewed content, they are under pressure from their community to innovate quickly and harness digital technology in new ways that add value, simplicity and easier access to the research workflow. About Will Russell is responsible for some of the new technical developments • pubs.rsc.org at the Royal Society of Chemistry. “Although we do a lot of in-house • rsc.org development, we need to understand where developments can be • Location: Cambridge UK with improved by working with partners,” he says. “I really believe in the additional editorial teams in Beijing, benefit of strategic technology partnerships with an external partner. China, Bangalore India and There is the speed of getting a key utility to the market and this offers Washington D.C. USA us a tremendous business advantage.” • Scientific publisher of high-impact journals and books “We have journals going back to 1841,” he says. “We started migrating People print content online in the late 1990s. Our biggest challenge now is how • Will Russell we will deliver content in the future in the most useful way for the Business Relationship Manager researcher.” Goals Will pinpoints a way forward. “There are new opportunities presented • Embrace new technology to remain by open science and alternative metrics, and increasing importance competitive against innovative attached to data and open data,” he says. -
Spotlights on Our Sister Journals: Chemistryopen 5
On these pages, we feature aselection computer,click on any of the items to of the excellent work that has recently read the full article. Otherwise please been published in our sister journals. see the DOIs for easy online access If you are reading these pages on a through Wiley Online Library. Iodine Adducts A. Reinholdt, T. Vosch, J. Bendix* Modification of s-Donor Properties of TerminalCarbideLigands Investigated Through Carbide–Iodine AdductFormation To give and take:terminal ruthenium carbidecomplexes [(Cy P) X Ru C] (1;X= halide or pseudohalide), form charge-transfer 3 2 2 adducts with I2 exhibitinglarge variation in bond lengths and stretching frequencies. This showsthat the auxiliary ligand sphere on rutheniumenables control over the s-donor properties of car- bide ligands, elucidating their isolobal relationship with carbon monoxide. Angew.Chem. Int. Ed. DOI: 10.1002/anie.201606551 Density Functional Theory J. I. Schweizer, L. Meyer,A.Nadj, M. Diefenbach, M. C. Holthausen* Unraveling the Amine-Induced Disproportionation Reaction of Perchlorinated Silanes—A DFT Study Aneo twist:ADFT study on the amine-induceddisproportionation reactionofSi2Cl6 to neo-Si5Cl12 discloses astepwise rather than a concerted silylene insertion mechanism, which was generally ac- cepted for over half acentury. The resulting pictureappears gener- alizabletothe relatedchloride-induced chemistry recently explored (see graphic). Chem. Eur.J. DOI: 10.1002/chem.201602724 Aza-Diels–Alder Reactions Y. Kumatabara, S. Kaneko, S. Nakata,S.Shirakawa,* K. Maruoka Hydrogen-BondingCatalysis of TetraalkylammoniumSalts in an Aza-Diels–Alder Reaction Under observation:Apiperidine-derived tetraalkylammoniumsalt with anon-coordinating counteranion worked as an effective hydro- gen-bonding catalyst in an aza-Diels–Alder reactionofimines anda Danishefskydiene. -
Amatore CV English Personnal Data
C. Amatore, HonFRSC, HonFCSC Scientific Curriculum Vitæ French, Born December 1951, married, two Children 1. Academic Training o Education: • Undergraduate studies (1971-1974): Chemistry, Physics, Physical-Chemistry ; Ecole Normale Supérieure and University Paris 6, Paris, France, • Agrégation of Chemistry (1974) (highest professional professorship degree in France), o Doctorat d’Etat (1975-1979; cumulative grade equivalent to Ph.D. plus Habilitation; defended in December 1979); University Paris 7, Paris; performed under the guidance of Prof. Jean-Michel Savéant. o Post-Doctorate (1982-1983): Professor Jay K. Kochi, Indiana University at Bloomington, USA. 2. French Professorships 1974-1975 Research assistant, Department of Chemistry, Ecole Normale Supérieure (ENS), 1975-1984 CNRS Assistant Professor (AR, then CR), CNRS and University Paris 7, 1984-1990 CNRS Full Professor, first rank (DR2), CNRS and Department of Chemistry, ENS, 1990-2000 CNRS Full Professor, second rank (DR1), CNRS and Department of Chemistry, ENS, 2000-present CNRS Full Professor, first exceptional rank (DRCE1), CNRS and ENS, 2001-2004 Full Professor (former Louis Pasteur’s position), exceptional rank (PRCE1), University Pierre et Marie Curie (UPMC) and ENS, 2004-2007 Full Professor (former Louis Pasteur’s position), highest exceptional rank (PRCE2), University Pierre and Marie Curie (UPMC) and ENS, 2007-2017 Full Professor of the highest exceptional rank (DRCE CNRS) at ENS and UPMC, 2017-present Emeritus Professor of the highest exceptional rank (DRCE CNRS) at ENS -
Annual Report: CY2018 Chempubsoc Europe
1 Annual Report: CY2018 ChemPubSoc Europe Growth, change, awards, and sponsorship More scientists, more publications, more competition. As in the past, growth continued unabated worldwide in 2018 and is also reflected in the performance metrics of the ChemPubSoc Europe / Wiley-VCH publishing program, which now consists of 16 titles. The most recent product, ChemSystemsChem, was announced in Fall 2018. In 2018, the journals that are co-owned by ChemPubSoc Europe societies published nearly 9,000 articles (excluding contributions to the online publication ChemViews Magazine). Compared to the previous year, manuscript submissions grew by 12%, and the number of published articles rose by approximately 5%. A record number of full-text downloads, >8.9 million, was witnessed for the ChemPubSoc Europe journals, with increases in usage compared to the same time last year; notable among them ca. +20–30% for ChemCatChem, ChemElectroChem, ChemMedChem, and ChemPlusChem; and ca. +70% for ChemistrySelect and ChemPhotoChem. Approximately 3% of articles published in ChemPubSoc Europe's hybrid journals in 2018 were open access: ca. 10% at ChemBioChem and ca. 5% at ChemCatChem, Chemistry—A European Journal, ChemMedChem, and ChemPhysChem, respectively. ChemPubSoc Europe's gold open access journal, ChemistryOpen, experienced a ca. 47% growth in submissions compared to 2017. Generational change After the retirement of Peter Gölitz in November 2017, additional responsibility was taken on by Guido Herrmann (VP, Co-Managing Director Wiley-VCH, since April 1, 2017), Eva Wille (VP, Executive Director Wiley-VCH), Neville Compton (Editor-in-Chief of Angewandte Chemie and publisher for the GDCh journals), Haymo Ross (Editor-in-Chief of Chemistry—A European Journal and publisher of the ChemPubSoc Europe journals), Theresa Kueckmann (Editor-in-Chief of Chemistry—An Asian Journal and publisher for the Asian Chemical Editorial Society (ACES) journals), and Greta Heydenrych (development of new journals). -
Chemistry Subject Ejournal Packages
Chemistry subject eJournal packages Subject Included journals No. of journals Analyst; Biomaterials Science; Food & Function; Journal of Materials Chemistry B; Lab on a Chip; Metallomics; Molecular Omics; Biological chemistry Molecular Systems Design & Engineering; Photochemical & Photobiological Sciences; Toxicology Research 10 Catalysis Science & Technology; Dalton Transactions; Energy & Environmental Science; Green Chemistry; Organic & Biomolecular Chemistry; Catalysis science Photochemical & Photobiological Sciences; Physical Chemistry Chemical Physics; Reaction Chemistry & Engineering 8 Lab on a Chip; MedChemComm; Metallomics; Molecular Omics; Natural Product Reports; Organic & Biomolecular Chemistry; Photochemical Biochemistry & Photobiological Sciences; Toxicology Research 8 CrystEngComm; Energy & Environmental Science; Green Chemistry; Journal of Materials Chemistry A; Molecular Systems Design & Energy Engineering; Physical Chemistry Chemical Physics; Journal of Materials Chemistry 7 Energy & Environmental Science; Environmental Science: Nano; Environmental Science: Processes & Impacts; Environmental Science: Environmental Science Water Research & Technology; Green Chemistry; Journal of Materials Chemistry A & C; Photochemical & Photobiological Sciences; Reaction 8 Chemistry & Engineering Food science Analyst; Analytical Methods; Food & Function; Lap on a Chip 4 Catalysis Science & Technology; CrystEngComm; Dalton Transactions; Inorganic Chemistry Frontiers; Metallomics; Photochemical & Inorganic chemistry Photobiological Sciences; -
Chemcatchem 11/2016
On these pages, we feature aselection computer,click on any of the items to of the excellent work that has recently read the full article. Otherwise please been published in our sister journals. see the DOIs for easy online access If you are reading these pages on a through Wiley Online Library. Gold Nanorod Analysis B. J. Plowman, N. P. Young, C. Batchelor-McAuley,R.G.Compton* Nanorod Aspect Ratios Determined by the Nano-Impact Technique Shapingup:The electrochemical determination of the aspectratio of gold nanorods on an individual basis through nano-impact ex- periments is demonstrated. The measured dimensions are in excel- lent agreement with electron microscopy results, establishing the use of nanoparticleimpact electrochemistry for the characterization of anisotropic nanomaterials. Angew.Chem. Int. Ed. DOI: 10.1002/anie.201602867 Graphene F. Wan, Y.-H. Li, D.-H. Liu, J.-Z. Guo, H.-Z. Sun, J.-P.Zhang,*X.-L. Wu* Alkali-Metal-Ion-Functionalized Graphene Oxide as aSuperior AnodeMaterial for Sodium-Ion Batteries Superior Na-storage properties of unreduced graphene oxide (GO) by asimple andscalable alkali-metal-ion (Li+,Na+,K+)-functional- ized process has been achieved. Different alkali metal ions play dif- ferent roles on adjusting the structure and Na-storage properties, and the GNa electrode exhibits much improved electrochemical properties in terms of higherrate performance and longer cycle sta- Chem. Eur.J. bility compared to GO, GLi, andGK(see figure). DOI: 10.1002/chem.201600660 Ruthenium Complexes K. Isozaki,* T. Yokoi, R. Yoshida, K. Ogata, D. Hashizume, N. Yasuda, K. Sadakane, H. Takaya,* M. Nakamura* Synthesis and Applicationsof (ONO Pincer)Ruthenium-Complex-BoundNorvalines ONO?OYes! (ONO pincer)ruthenium-complex-bound norvalines were successfully synthesized as anew type of bioorganometallic material. -
New Journal and Database Subscriptions – 2012 -2013
NEW JOURNAL AND DATABASE SUBSCRIPTIONS – 2012 -2013 New Journals Afterall: A Journal of Art, Context and Enquiry American Biology Teacher American Journal of Bioethics American Political Thought Annals of Tourism Research Art Documentation Biodiversity and Conservation Biomaterials Science BioScience Boom: A Journal of California California Archaeology California Management Review Catalysis Science & Technology Chemical Hazards in Industry China Journal Classical Antiquity Classical Philology Crime and Justice Critical Review of International Social and Political Philosophy Education in Chemistry Educational Technology Research Development Elephant Ethics Federal Sentencing Reporter Food & Function Frankie Gastronomica: The Journal of Food and Culture Haaretz Historical Studies in the Natural Sciences HOPOS: The Journal of the International Society for the History of Philosophy of Science Huntington Library Quarterly Indian Country Today Indonesia Journal Information, Communication & Society Innovation Policy and the Economy Integrative Biology Issues in Environmental Science and Technology Journal of Applied Remote Sensing Journal of Digital Media Management Journal of Empirical Research on Human Research Ethics Journal of Environmental Studies and Sciences Journal of Human Capital Journal of Labor Economics Journal of Leisure Research Journal of Micro/Nanolithography, MEMS, and MOEMS Journal of Modern History Journal of Nanophotonics Journal of North African Studies Journal of Palestine Studies Journal of Photonics for Energy Journal -
RSC Gold 2015 Flyer.Pdf
RSC Gold Want access to full content from the world’s leading chemistry society? Including regular new material and an Archive dating back to 1841? Caltech’s RSC Gold Plus voucher codes to publish package subscription has been a very Open Access (OA) free of charge? welcome development ... I am very appreciative of the RSC Gold is the Royal Society of Chemistry’s general excellence of articles in the RSC premium package comprising 41 international research journals, evidenced by strong journals, literature updating services and impact factors and magazines that will meet the needs of all your increases in local download statistics. end-users. And the accompanying Gold for Gold Dana L. Roth OA voucher codes ensure maximum visibility for Chemistry Librarian your institution’s quality research. Caltech, USA Take a look inside to see exactly what you get www.rsc.org/gold RSC Gold includes a wealth of quality RSC journal, database and magazine content that is all available online. Journals Natural Product Reports Analyst New Journal of Chemistry Analytical Methods Organic & Biomolecular Chemistry Biomaterials Science Photochemical & Photobiological Sciences Catalysis Science & Technology Physical Chemistry Chemical Physics (PCCP) Chemical Communications Polymer Chemistry Chemical Science* RSC Advances Chemical Society Reviews Soft Matter CrystEngComm Toxicology Research Dalton Transactions Energy & Environmental Science B a c k fi l e Environmental Science: Nano** RSC Journals Archive 1841-2007 lease Environmental Science: Processes & Impacts -
Marine Alkaloids As Bioactive Agents Against Protozoal Neglected Tropical Diseases and Malaria† Cite This: DOI: 10.1039/D0np00078g Andre G
Natural Product Reports View Article Online REVIEW View Journal Marine alkaloids as bioactive agents against protozoal neglected tropical diseases and malaria† Cite this: DOI: 10.1039/d0np00078g Andre G. Tempone, *a Pauline Pieper,b Samanta E. T. Borborema,a Fernanda Thevenard,c Joao Henrique G. Lago,c Simon L. Croft *d and Edward A. Anderson *b Covering: 2000 up to 2021 Natural products are an important resource in drug discovery, directly or indirectly delivering numerous small molecules for potential development as human medicines. Among the many classes of natural products, alkaloids have a rich history of therapeutic applications. The extensive chemodiversity of alkaloids found in the marine environment has attracted considerable attention for such uses, while ff Creative Commons Attribution 3.0 Unported Licence. the scarcity of these natural materials has stimulated e orts towards their total synthesis. This review focuses on the biological activity of marine alkaloids (covering 2000 to up to 2021) towards Neglected Tropical Diseases (NTDs) caused by protozoan parasites, and malaria. Chemotherapy represents the only form of treatment for Chagas disease, human African trypanosomiasis, leishmaniasis and malaria, but there is currently a restricted arsenal of drugs, which often elicit severe adverse effects, show variable efficacy or resistance, or are costly. Natural product scaffolds have re-emerged as a focus of academic drug discovery programmes, offering a different resource to discover new chemical entities Received 6th October 2020 with new modes of action. In this review, the potential of a range of marine alkaloids is analyzed, DOI: 10.1039/d0np00078g accompanied by coverage of synthetic efforts that enable further studies of key antiprotozoal natural This article is licensed under a rsc.li/npr product scaffolds.