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Relevant bibliographies by topics / Covalent Interactions

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Academic literature on the topic 'Covalent Interactions'

Author: Grafiati

Published: 6 September 2023

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Journal articles on the topic "Covalent Interactions"

1

Alkorta, Ibon, and Sławomir J. Grabowski. "Non-covalent interactions." Computational and Theoretical Chemistry 998 (October 2012): 1. http://dx.doi.org/10.1016/j.comptc.2012.07.025.

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FINKELSTEIN, ALEXEI V., MICHAEL Y. LOBANOV, NIKITA V. DOVIDCHENKO, and NATALIA S. BOGATYREVA. "MANY-ATOM VAN DER WAALS INTERACTIONS LEAD TO DIRECTION-SENSITIVE INTERACTIONS OF COVALENT BONDS." Journal of Bioinformatics and Computational Biology 06, no. 04 (2008): 693–707. http://dx.doi.org/10.1142/s0219720008003606.

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Strict physical theory and numerical calculations show that a specific coupling of many-atom van der Waals interactions with covalent bonding can significantly (half as much) increase the strength of attractive dispersion interactions when the direction of interaction coincides with the direction of the covalent bond, and decrease this strength when the direction of interaction is perpendicular to the direction of the covalent bond. The energy effect is comparable to that caused by the replacement of atoms (e.g. N by C or O ) in conventional pairwise van der Waals interactions. Analysis of pro

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3

Bagus, Paul S., and Connie J. Nelin. "Covalent interactions in oxides." Journal of Electron Spectroscopy and Related Phenomena 194 (June 2014): 37–44. http://dx.doi.org/10.1016/j.elspec.2013.11.004.

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Schneider, Hans-J�rg. "EDITORIAL: NON-COVALENT INTERACTIONS." Journal of Physical Organic Chemistry 10, no. 5 (1997): 253. http://dx.doi.org/10.1002/(sici)1099-1395(199705)10:5<253::aid-poc1875>3.0.co;2-r.

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Olson, R. E. "Ionic-covalent collision interactions." International Journal of Quantum Chemistry 24, S17 (2009): 49–64. http://dx.doi.org/10.1002/qua.560240807.

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Majumdar, Dhrubajyoti, A. Frontera, Rosa M. Gomila, Sourav Das та Kalipada Bankura. "Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation". RSC Advances 12, № 10 (2022): 6352–63. http://dx.doi.org/10.1039/d1ra09346k.

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We report σ-hole interaction/spodium/tetrel bonding and other non-covalent interactions in a heteronuclear Pb(ii)–Salen coordination polymer using DFT, HSA, QTAIM/NCI, and QTAIM/ELF plots. The non-covalent interactions predominantly drive the formation of extended architectures.

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Bjij, Imane, Pritika Ramharack, Shama Khan, Driss Cherqaoui, and Mahmoud E. S. Soliman. "Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling." Molecules 24, no. 17 (2019): 3125. http://dx.doi.org/10.3390/molecules24173125.

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The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the enzyme may be targeted both covalently and non-covalently, minimal studies provide effective inhibitors against it. Recently, research has focused on covalent inhibitors based on their characteristic, highly-selective warheads and ability to prevent drug resistance. This prompted us to screen for new covalent inhibitors of Nedd4-1 using a combination of computational approaches. However, this task proved challenging due to the limited number of electrophilic moieties availabl

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Novikov, Alexander S. "Non-Covalent Interactions in Polymers." Polymers 15, no. 5 (2023): 1139. http://dx.doi.org/10.3390/polym15051139.

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Non-covalent interactions are one of the key topics in modern chemical science. These inter- and intramolecular weak interactions (e.g., hydrogen, halogen, and chalcogen bonds, stacking interactions and metallophilic contacts) have a significant effect on the properties of polymers. In this Special Issue, “Non-covalent interactions in polymers”, we tried to collect fundamental and applied research manuscripts (original research articles and comprehensive review papers) focused on non-covalent interactions in polymer chemistry and related fields. The scope of the Special Issue is very broad: we

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Wang, Zhifang, Geng An, Ye Zhu, et al. "3D-printable self-healing and mechanically reinforced hydrogels with host–guest non-covalent interactions integrated into covalently linked networks." Materials Horizons 6, no. 4 (2019): 733–42. http://dx.doi.org/10.1039/c8mh01208c.

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Černý, Jiří, and Pavel Hobza. "Non-covalent interactions in biomacromolecules." Physical Chemistry Chemical Physics 9, no. 39 (2007): 5291. http://dx.doi.org/10.1039/b704781a.

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Dissertations / Theses on the topic "Covalent Interactions"

1

Yang, Lixu. "Non-covalent interactions in solution." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/8097.

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Non-covalent interactions taking place in solution are essential in chemical and biological systems. The solvent environment plays an important role in determining the geometry and stability of interactions. This thesis examines aromatic stacking interactions, alkyl-alkyl interactions, edge-to-face aromatic interactions, halogen bonds and hydrogen…hydrogen interactions in solution. Chapter 1 briefly introduces the different classes of non-covalent interactions, in addition to the state-of-the-art models and methods for investigating these weak interactions. The chapter finishes with a focus on

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2

Cockroft, Scott L. "Understanding non-covalent interactions." Thesis, University of Sheffield, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.434497.

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Bayach, Imene. "Non-covalent interactions in natural products." Thesis, Limoges, 2014. http://www.theses.fr/2014LIMO0050/document.

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Les polyphénols naturels forment des complexes non-covalents dans lesquels le π-stacking et les liaisons hydrogène jouent un rôle clé dans la stabilisation. Les calculs DFT incluant la dispersion (DFT-D), la description des processus d'agrégation non-covalente de produits naturels devient fiable. Dans ce travail, les méthodes DFT-D sont appliquées à i) la compréhension de la biosynthèse stéréo- et régio-sélective des oligostilbenoïdes, ii) la prédiction de l'agrégation des antioxydants naturels au sein de la membrane bicouche lipidique, qui pourrait rationaliser la synergie de la vitamine E, l

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Hubbard, Thomas A. "Non-covalent interactions in lubricant chemistry." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/15935.

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Lubricant formulations are highly complex mixtures, containing a multitude of additives, each geared towards improving the efficiency of often highly specialised processes. The study of lubrication, or tribology, is a huge area of research, but is often overlooked by chemists in favour of pharmaceutical or agrochemical research. This thesis lays the foundation for the study and further understanding of additive-additive interactions in a lubricant formulation. Chapter one presents a concise introduction to modern lubricant formulations by providing a historical background and examining current

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SIRTORI, F. RICCARDI. "STUDY OF COVALENT AND NON COVALENT INTERACTIONS OF BIOPOLYMER BY MASS SPECTROMETRY." Doctoral thesis, Università degli Studi di Milano, 2010. http://hdl.handle.net/2434/150205.

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ESI-MS screening methods directly detect ligand-target non covalent complexes in the gas phase and allow inference of affinity (and specificity) of the ligand-target interaction in solution [1, 2]. The identity of different complexes can be directly assessed as the mass of each molecule works as intrinsic label. Biopolymers can be screened either as a single component or a mixture of different targets; in this way it is possible to determine the selectivity of a new chemical entity for different targets. On the other hand, using ESI-MS it is also possible to identify, within a mixture, compone

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Comí, Bonachí Marc. "Biobased polyurethanes with tunable properties through covalent and non-covalent approaches." Doctoral thesis, Universitat Rovira i Virgili, 2017. http://hdl.handle.net/10803/454764.

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Aquesta tesi va dirigida específicament al desenvolupament de poliuretans (PU)s funcionalitzats en la cadena lateral (FPU)s, sintetitzats a partir de diols funcionals que provenen d’àcids grassos i dos diisocianats diferents: el diisocianat d’isoforona (IPDI) i el diisocianat d’hexametilé (HDI). Aquests nous FPUs presenten una amina terciària i grups alquil, al•lil, propargil o la combinació d'aquests en la cadena lateral. Posteriorment els FPUs es modifiquen mitjançant dos mecanismes de post-polimerització basats en enllaços covalents o en enllaços no covalents.En el primer cas, es duen a ter

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Mati, Ioulia. "Molecular torsion balances for quantifying non-covalent interactions." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/7610.

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Non-covalent interactions underpin the whole of chemistry and biology, but their study is extremely difficult in complicated biological systems. This thesis presents the application of synthetic molecular balances for gaining fundamental insights into the physicochemical phenomena that govern molecular recognition processes. Chapter 1 reviews the use of small synthetic molecules that exist in two conformational states via slow rotation of a bond, in the quantification of non-covalent interactions. Chapter 2 presents a new molecular torsion balance, based on a slowly rotating tertiary formyl am

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Benevelli, Francesca. "Solid-state NMR characterisation of non-covalent interactions." Thesis, University of Cambridge, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.620286.

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Abuajwa, Wissam. "Non-covalent interactions of C60 fullerene and its derivatives." Thesis, University of Nottingham, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.588068.

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In this thesis, the design and synthesis of novel C60 fullerene compounds with different functional groups is reported. Chapter 1 introduces the background of the project with a general introduction into the covalent and non-covalent types of bonding interactions, and the chemistry and reactions of C60 fullerenes. Chapter 2 focuses on co-crystallisation of pristine C60 with selected aromatic compounds. Single crystals have been obtained and characterised by X-ray diffraction. Chapter 3 is concerned with the synthesis and characterisation of novel fullerene compounds by using Prato cycloadditio

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10

Adam, Catherine. "Molecular balances for measuring non-covalent interactions in solution." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/16466.

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Non-covalent interactions in solution are subject to modulation by surrounding solvent molecules. This thesis presents two experimental molecular balances that have been used to quantify solvent effects on non-covalent interactions, including electrostatic and dispersion interactions. The first chapter introduces literature where non-covalent interactions have been studied in a range of solvents, particularly those where the effects of aqueous or fluorous solvents have been investigated. These solvents are of particular interest as they both invoke solvophobic effects on organic molecules, but

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Books on the topic "Covalent Interactions"

1

Hobza, Pavel. Non-covalent interactions. Royal Society of Chemistry, 2009.

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2

Maharramov, Abel M., Kamran T. Mahmudov, Maximilian N. Kopylovich, and Armando J. L. Pombeiro, eds. Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.

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3

Sinclair, Andrew Jamieson. Using non-covalent interaction to accelerate a [three plus two] dipolar cycloaddition reaction. University of Birmingham, 2000.

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4

Non-Covalent Interactions. Royal Society of Chemistry, 2009. http://dx.doi.org/10.1039/9781847559906.

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5

Non-Covalent Interactions in Proteins. World Scientific Publishing Co Pte Ltd, 2021.

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6

Karshikoff, Andrey. Non-Covalent Interactions in Proteins. WORLD SCIENTIFIC, 2021. http://dx.doi.org/10.1142/12035.

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Karshikoff, Andrey. Non-Covalent Interactions in Proteins. PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO., 2006. http://dx.doi.org/10.1142/p477.

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8

Barbier, Vincent, and Olivier R. P. David. Non-Covalent Interactions in Organocatalysis. Elsevier, 2018.

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9

Non-covalent Interactions in Proteins. Imperial College Press, 2006.

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10

Hobza, Pavel, Jonathan Hirst, Kenneth D. Jordan, Carmay Lim, and Klaus Muller-Dethlefs. Non-Covalent Interactions: Theory and Experiment. Royal Society of Chemistry, The, 2009.

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Book chapters on the topic "Covalent Interactions"

1

Oscarsson, S., and J. Porath. "Covalent Chromatography." In Molecular Interactions in Bioseparations. Springer US, 1993. http://dx.doi.org/10.1007/978-1-4899-1872-7_26.

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2

Maharramov, Abel M., Kamran T. Mahmudov, Maximilian N. Kopylovich, M. Fátima C. Guedes da Silva, and Armando J. L. Pombeiro. "Activation of Covalent Bonds Through Non-covalent Interactions." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch1.

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3

Yon-Kahn, Jeannine, and Guy Hervé. "Regulation by Non-Covalent Interactions." In Molecular and Cellular Enzymology. Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-01228-0_14.

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4

Cheng, Yunfeng, Xiaochuan Yang, and Binghe Wang. "Covalent Interactions in Chemosensor Design." In Chemosensors. John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118019580.ch3.

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5

Hunter, Christopher. "Non-Covalent Interactions Between Aromatic Molecules." In From Simplicity to Complexity in Chemistry — and Beyond. Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/978-3-642-49368-3_9.

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6

Aplin, Robin T., and Carol V. Robinson. "Electrospray Ionization Mass Spectrometry: The Observation of Covalent, Ionic and Non-Covalent Interactions." In Mass Spectrometry in the Biological Sciences. Humana Press, 1996. http://dx.doi.org/10.1007/978-1-4612-0229-5_4.

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7

D’Urso, Alessandro, Maria Elena Fragalà, and Roberto Purrello. "Non-Covalent Interactions of Porphyrinoids with Duplex DNA." In Topics in Heterocyclic Chemistry. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/7081_2013_113.

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Kataev, Evgeny A. "Non-covalent Interactions in the Synthesis of Macrocycles." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch4.

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9

Sagan, Filip, and Mariusz P. Mitoraj. "Non-covalent Interactions in Selected Transition Metal Complexes." In Transition Metals in Coordination Environments. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-11714-6_3.

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Chetverina, Helena V., and Alexander B. Chetverin. "Identifying RNA Recombination Events and Non-covalent RNA–RNA Interactions with the Molecular Colony Technique." In RNA-RNA Interactions. Springer New York, 2014. http://dx.doi.org/10.1007/978-1-4939-1896-6_1.

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Conference papers on the topic "Covalent Interactions"

1

Sanz, M., Jackson Tang, Elena Alonso, et al. "INTERMOLECULAR NON-COVALENT INTERACTIONS REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY." In 74th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2019. http://dx.doi.org/10.15278/isms.2019.tb01.

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Caminati, Walther, Emilio Cocinero, Alberto Lesarri, et al. "NON COVALENT INTERACTIONS AND INTERNAL DYNAMICS IN ADDUCTS OF FREONS." In 69th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.rj16.

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Foguel, Lidor, Patrick Vaccaro, and Zachary Vealey. "MICROSOLVATION AND THE EFFECTS OF NON-COVALENT INTERACTIONS ON INTRAMOLECULAR DYNAMICS." In 72nd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.wd02.

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Choe, Junseok, Keonwoo Kim, Minjae Ju, Sumin Lee, and Jaewoo Kang. "Improved Binding Affinity Prediction Using Non-Covalent Interactions and Graph Integration." In 2022 IEEE International Conference on Big Data and Smart Computing (BigComp). IEEE, 2022. http://dx.doi.org/10.1109/bigcomp54360.2022.00079.

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Melandri, Sonia, Laura Favero, Camilla Calabrese, et al. "TUNING OF NON-COVALENT INTERACTIONS IN MOLECULAR COMPLEXES OF FLUORINATED AROMATIC COMPOUNDS." In 73rd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wk08.

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Oliveira, Vytor, and Elfi Kraka. "The intrinsic strength of non-covalent interactions described by coupled cluster theory." In VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Editora Letra1, 2018. http://dx.doi.org/10.21826/9788563800374068.

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Melandri, Sonia, Laura Favero, Weixing Li, et al. "NON-COVALENT INTERACTIONS IN COMPLEXES OF FLUORINATED AROMATIC RINGS INVESTIGATED BY ROTATIONAL SPECTROSCOPY." In 74th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2019. http://dx.doi.org/10.15278/isms.2019.tb05.

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Belov, S. P., B. A. McElmurry, F. F. Willaert, R. R. Lucchese, and J. Bevan. "Co-axially configured supersonic jet spectrometer for submillimeter investigations of non-covalent interactions." In 2008 33rd International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz 2008). IEEE, 2008. http://dx.doi.org/10.1109/icimw.2008.4665616.

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Rackers, Joshua. "What can machine learning teach us about the limits of electron correlation?." In Proposed for presentation at the Non-Covalent Interactions in Large Molecules and Extended Materials in ,. US DOE, 2021. http://dx.doi.org/10.2172/1884653.

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Ma, Yingxian, Liqiang Huang, Zhi Zhu, Yurou Du, Jie Lai, and Jianchun Guo. "A Supramolecular Thickener Based on Non-Covalent Enhancement Mechanism." In SPE International Conference on Oilfield Chemistry. SPE, 2021. http://dx.doi.org/10.2118/204299-ms.

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Abstract Inspired by non-covalent enhancement mechanism, we introduced glycinamide-conjugated monomer (NAGA) with dual-amide in one side group to amplify the hydrogen bonding interactions. Via one-step free radical polymerization strategy, we prepared a type of supramolecular thickener based on binary polymer. With NMR, FT-IR and SEM results’ help, we determined that PNAGA-AM system had unique bis-amide structure of glycinamide-conjugated monomer. As a result, the synthesized polymer could generate a much denser structure based on the high-ordered multiple hydrogen bonding with lower molecular

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Reports on the topic "Covalent Interactions"

1

Nelson, Nathan, and Charles F. Yocum. Structure, Function and Utilization of Plant Photosynthetic Reaction Centers. United States Department of Agriculture, 2012. http://dx.doi.org/10.32747/2012.7699846.bard.

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Light capturing and energy conversion by PSI is one of the most fundamental processes in nature. In the heart of these adaptations stand PSI, PSII and their light harvesting antenna complexes. The main goal of this grant proposal was to obtain by X-ray crystallography information on the structure of plant photosystem I (PSI) and photosystem II (PSII) supercomplexes. We achieved several milestones along this line but as yet, like several strong laboratories around the world, we have no crystal structure of plant PSII. We have redesigned the purification and crystallization procedures and recent

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