Relevant bibliographies by topics / Molecular interaction effects

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Molecular interaction effects'

Author: Grafiati
Published: 3 June 2025
Last updated: 31 July 2025

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Journal articles on the topic "Molecular interaction effects"

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Xiaowei Jia, Xiaowei Jia, Jianqi Shen Jianqi Shen, Lufang Guo Lufang Guo, and Chen Wan Chen Wan. "Diffraction effects in planar wave-sphere interaction." Chinese Optics Letters 11, no. 5 (2013): 050501–50504. http://dx.doi.org/10.3788/col201311.050501.

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NAKANO, MASAYOSHI, SATORU YAMADA, MASAHIRO TAKAHATA, and KIZASHI YAMAGUCHI. "SECOND HYPERPOLARIZABILITIES OF MOLECULAR AGGREGATES: INTERMOLECULAR ORBITAL-INTERACTION AND SPIN-CONFIGURATION EFFECTS." International Journal of Nanoscience 01, no. 05n06 (2002): 545–49. http://dx.doi.org/10.1142/s0219581x02000644.

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Toward an understanding of intermolecular-interaction effects on the third-order nonlinear optical properties of nanostructured molecular aggregates, we investigate the longitudinal second hyperpolarizabilities (γ) of model dimers composed of neutral ( C 5 H 7) and charged [Formula: see text] monomers using ab initio molecular orbital methods. It is found that π–π orbital interaction in the stacking direction remarkably affects the γ values of dimers, while the difference in spin configuration hardly causes significant changes in γ for the present models due to weak exchange interactions betwe
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VASHISHTA, PRIYA, RAJIV K. KALIA, AIICHIRO NAKANO, and JIN YU. "MOLECULAR DYNAMICS AND QUANTUM MOLECULAR DYNAMICS SIMULATIONS ON PARALLEL ARCHITECTURES." International Journal of Modern Physics C 05, no. 02 (1994): 281–83. http://dx.doi.org/10.1142/s0129183194000325.

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Efficient parallel molecular dynamics (MD) algorithm based on the multiple-time-step (MTS) approach is developed. The MTS-MD algorithm is used to study structural correlations in porous silica at densities 2.2 g/cm3 to 1.6 g/cm3. Nature of phonons and effects of hydrostatic pressure in solid C60 is studied using the tight-binding MD method within a unified interaction model which includes intermolecular and intra-molecular interactions.
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Calvo, Jorge, David Zueco, and Luis Martin-Moreno. "Ultrastrong coupling effects in molecular cavity QED." Nanophotonics 9, no. 2 (2020): 277–81. http://dx.doi.org/10.1515/nanoph-2019-0403.

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AbstractThe spectrum and energy dynamics for a system that comprises a molecule interacting with a cavity photon is analyzed, taking into account the effect of both molecular vibrations and counter-rotating terms (CR) in the dipole Hamiltonian. The CR terms do not have a strong effect on the spectrum even for moderately large values of the exciton-photon interaction. However, it is shown that the polariton subspace is governed by an effective Quantum-Rabi Hamiltonian, where polaritons act as a two-level system and the phonons play the role of cavity photons. The effect of the CR terms is ampli
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S, Bhattacharjee. "Molecular Insights into the Interaction of Vitamin C (Ascorbic Acid) with Glutathione Peroxidase: A Comprehensive Computational Study." Medicinal and Analytical Chemistry International Journal 8, no. 1 (2024): 1–8. http://dx.doi.org/10.23880/macij-16000188.

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This research investigates the molecular interaction between vitamin C (ascorbic acid) and glutathione peroxidase (GPX), a key enzyme in the antioxidant defense system. Oxidative stress-induced damage, caused by an imbalance in reactive oxygen species (ROS) production, is implicated in various health issues. Vitamin C, a potent antioxidant, is known for its ability to neutralize free radicals and support overall cellular health. Despite numerous studies on the protective effects of vitamin C, the molecular details of its interaction with GPX remain unclear. In this study, we employ computation
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Mahmood, T., M. H. Rahman, G. R. Stringam, J. P. Raney, and A. G. Good. "Molecular markers for seed colour in Brassica juncea." Genome 48, no. 4 (2005): 755–60. http://dx.doi.org/10.1139/g04-122.

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A detailed RFLP map was used to map QTLs associated with seed colour in Brassica juncea using a doubled-haploid population derived from a cross between a black/brown-seeded cultivar and a yellow-seeded breeding line. Segregation analysis suggested that seed colour was under control of 2 unlinked loci with duplicate gene action. However, QTL analysis revealed 3 QTLs, SC-B4, SC-A10 and SC-A6, affecting seed colour. The QTLs were consistent across environments, and individually explained 43%, 31%, and 16%, respectively, and collectively 62% of the phenotypic variation in the population. Digenic i
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Szczȩśniak, M. M., Steve Scheiner, and Pavel Hobza. "Effects of electron correlation upon molecular interactions: Correction of the electrostatic interaction between DNA bases." Journal of Molecular Structure: THEOCHEM 179, no. 1 (1988): 177–84. http://dx.doi.org/10.1016/0166-1280(88)80122-2.

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Carroll, P. K., and Kh I. Hagim. "Configuration interaction effects in molecular spectra. N2: a case study." Physica Scripta 37, no. 5 (1988): 682–93. http://dx.doi.org/10.1088/0031-8949/37/5/005.

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Lai, Jing-jing, Huai-yu Yan, Yan Liu, and Yanbin Huang. "Effects of PEG molecular weight on its interaction with albumin." Chinese Journal of Polymer Science 33, no. 10 (2015): 1373–79. http://dx.doi.org/10.1007/s10118-015-1687-y.

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Minagawa, Keiji, Hirokazu Okamura, Seizo Masuda, and Masami Tanaka. "NMR Analysis of Molecular Motion of Polyurethane Fluid." International Journal of Modern Physics B 13, no. 14n16 (1999): 1975–82. http://dx.doi.org/10.1142/s0217979299002034.

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Urethane modified polyethers having hard-soft-hard structure were prepared as simple model compounds for homogeneous ER fluids. The NMR relaxation analysis was applied to these polyurethane ER fluids, and the molecular motions and interactions were studied with a series of the data of spin-lattice relaxation time T 1 and the spin-spin relaxation time T 2. Two hard-soft-hard urethanes, which showed opposite ER effects, were found to have similar relaxation behaviors under no electric field. The temperature dependence of T 1 indicated existence of significant intermolecular interaction and the c
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Dissertations / Theses on the topic "Molecular interaction effects"

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Moncrieff, D. "Application of the configuration interaction wavefunction on the study of ionisation effects." Thesis, University of Manchester, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376583.

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Kjellsson, Lindblom Tor. "Relativistic light-matter interaction." Doctoral thesis, Stockholms universitet, Fysikum, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-147749.

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During the past decades, the development of laser technology has produced pulses with increasingly higher peak intensities. These can now be made such that their strength rivals, and even exceeds, the atomic potential at the typical distance of an electron from the nucleus. To understand the induced dynamics, one can not rely on perturbative methods and must instead try to get as close to the full machinery of quantum mechanics as practically possible. With increasing field strength, many exotic interactions such as magnetic, relativistic and higher order electric effects may start to play a s
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Funk, Richard H. W., and Thomas K. Monsees. "Effects of Electromagnetic Fields on Cells: Physiological and Therapeutical Approaches and Molecular Mechanisms of Interaction." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-136228.

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This review concentrates on findings described in the recent literature on the response of cells and tissues to electromagnetic fields (EMF). Models of the causal interaction between different forms of EMF and ions or biomolecules of the cell will be presented together with our own results in cell surface recognition. Naturally occurring electric fields are not only important for cell-surface interactions but are also pivotal for the normal development of the organism and its physiological functions. A further goal of this review is to bridge the gap between recent cell biological studies (whi
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Funk, Richard H. W., and Thomas K. Monsees. "Effects of Electromagnetic Fields on Cells: Physiological and Therapeutical Approaches and Molecular Mechanisms of Interaction." Karger, 2006. https://tud.qucosa.de/id/qucosa%3A27702.

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This review concentrates on findings described in the recent literature on the response of cells and tissues to electromagnetic fields (EMF). Models of the causal interaction between different forms of EMF and ions or biomolecules of the cell will be presented together with our own results in cell surface recognition. Naturally occurring electric fields are not only important for cell-surface interactions but are also pivotal for the normal development of the organism and its physiological functions. A further goal of this review is to bridge the gap between recent cell biological studies (whi
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Fassnacht, Ryan. "Molecular Mechanisms Involved Involved in the Interaction Effects of HCV and Ethanol on Liver Cirrhosis." VCU Scholars Compass, 2010. http://scholarscompass.vcu.edu/etd/2246.

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The leading causes of liver disease are Hepatitis C virus infection and chronic alcohol abuse. Alcohol accelerates liver disease in HCV but the mechanisms are poorly understood. The identification of molecular gene expression profiles on human liver tissue was performed using microarrays. Samples were obtained from alcoholic-cirrhotic, HCV-cirrhotic, HCV/alcohol-cirrhotic and control non-cirrhotic liver tissue. Probe set expression summaries were calculated using RMA. Probe set level linear models were fit where probe set expression was modeled by HCV status, alcohol status, and the interactio
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Liao, Meng. "Modeling of fluid flows and heat transfer with interface effects, from molecular interaction to porous media." Thesis, Paris Est, 2018. http://www.theses.fr/2018PESC1054/document.

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Les objectifs de la thèse sont d'étudier le transport de fluide et le transfert de chaleur dans les pores micro et nanométriques. Les expériences et les simulations ont révélé des preuves de l'augmentation du flux provoquée par la vitesse de glissement à la paroi solide. D'autre part, la résistance thermique finie à l'interface fluide-solide est responsable de la différence de température des deux phases. Ces deux phénomènes d'interface peuvent avoir un impact considérable sur la perméabilité et la diffusivité thermique des milieux poreux constitués de micro et nanopores. La contribution se co
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Cerqueira, Andreia Filipa Lages. "Effects of phosphite in Pinus radiata-Fusarium circinatum interaction." Master's thesis, Universidade de Aveiro, 2016. http://hdl.handle.net/10773/17015.

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Mestrado em Biologia Molecular e Celular<br>O cancro resinoso, provocado pelo fungo Fusarium circinatum, é uma doença que afeta Pinus spp. e Pseudotsuga menziesii em todo o mundo e está sujeita a medidas de quarentena. Caracteriza-se pela formação de grandes cancros resinosos que rodeiam rebentos, ramos e troncos e levam à morte do hospedeiro. Até à data não existem meios para o controlo da doença e, com a crescente necessidade de reduzir o uso de fungicidas, outras abordagens devem ser estudadas. Um método para o controlo de doenças fitopatogénicas passa pela indução da resistência do
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Estarellas, Martín Carolina. "Theoretical and Experimental Study of Cooperativity Effects in Noncovalent Interactions." Doctoral thesis, Universitat de les Illes Balears, 2012. http://hdl.handle.net/10803/97288.

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L’any 2002 tres grups de recerca, entre ells el nostre grup, van demostrar teòricament que la interacció entre anions i anells aromàtics electrodeficients, anomenada interacció anió–, era favorable. Des de llavors s’ha dut a terme un intens estudi de la seva naturalesa física fins la total comprensió. Aquesta tesi es basa amb l’estudi de la interacció anió– des de tres punts de vista. Primerament, la investigació es basa en el disseny teòric de motius estructurals per donar lloc a un receptor on la interacció anió– siga molt favorable, per posteriorment avaluar la força de la interacció exp
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Berggren, Peter. "Elastic and inelastic scattering effects in conductance measurements at the nanoscale : A theoretical treatise." Doctoral thesis, Uppsala universitet, Institutionen för fysik och astronomi, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-261609.

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Elastic and inelastic interactions are studied in tunnel junctions of a superconducting nanoelectromechanical setup and in response to resent experimental superconducting scanning tunneling microscope findings on a paramagnetic molecule. In addition, the electron density of molecular graphene is modeled by a scattering theory approach in very good agreement with experiment. All studies where conducted through the use of model Hamiltonians and a Green function formalism. The nanoelectromechanical system comprise two fixed superconducting leads in-between which a cantilever suspended superconduc
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Chartier, Matthieu. "Développement et applications d’un outil bio-informatique pour la détection de similarités de champs d’interaction moléculaire." Thèse, Université de Sherbrooke, 2016. http://hdl.handle.net/11143/8893.

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Résumé : Les méthodes de détection de similarités de sites de liaison servent entre autres à la prédiction de fonction et à la prédiction de cibles croisées. Ces méthodes peuvent aider à prévenir les effets secondaires, suggérer le repositionnement de médicament existants, identifier des cibles polypharmacologiques et des remplacements bio-isostériques. La plupart des méthodes utilisent des représentations basées sur les atomes, même si les champs d’interaction moléculaire (MIFs) représentent plus directement ce qui cherche à être identifié. Nous avons développé une méthode bio-informatique,
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Books on the topic "Molecular interaction effects"

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D, Peyerimhoff Sigrid, Deutsche Forschungsgemeinschaft, and Collaborative Research Centre 334 "Wechselwirkung in Molekülen: Synthese, spektroskopische Analyse und quatentheoretische Behandlung charakteristischer Strukturen.", eds. Interactions in molecules: Electronic and steric effects. Wiley-VCH, 2003.

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Martin, Francis, and Sophien Kamoun. Effectors in plant-microbe interactions. Wiley-Blackwell, 2012.

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Bersuker, I. B. Vibronic interactions in molecules and crystals. Springer-Verlag, 1989.

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American Institute for Cancer Research. and Conference on Diet and Cancer: Molecular Mechanisms of Interactions (5th : 1994 : Washington, D.C.), eds. Diet and cancer: Molecular mechanisms of interactions. Plenum Press, 1995.

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Kaplan, Michael D., and George O. Zimmerman, eds. Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules. Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0985-0.

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Kaplan, Michael D. Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules. Springer Netherlands, 2001.

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American Institute for Cancer Research. and Conference on Dietary Fat and Cancer: Genetic and Molecular Interactions (1996 : Washington, D.C.), eds. Dietary fat and cancer: Genetic and molecular interactions. Plenum Press, 1997.

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Atanasov, Mihail, Claude Daul, and Philip L. W. Tregenna-Piggott. Vibronic interactions and the Jahn-Teller effect: Theory and applications. Springer Science+Business Media B.V., 2011.

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S, Denison Michael, and Helferich William, eds. Toxicant-receptor interactions: Modulation of signal transduction and gene expression. Taylor & Francis, 1998.

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A, Mozumder, and Hatano Y. 1939-, eds. Charged particle and photon interactions with matter: Chemical, physiochemical, and biological consequences with applications. Marcel Dekker, 2004.

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Book chapters on the topic "Molecular interaction effects"

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Darkhovskiy, Mikhail. "Bound Water Effects on the Interaction of Chemical Groups." In Molecular Recognition in Pharmacology. CRC Press, 2023. http://dx.doi.org/10.1201/9781003366669-9.

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Hilfiker, Mathias, Leonardo Medrano Sandonas, Marco Klähn, Ola Engkvist, and Alexandre Tkatchenko. "Leveraging Quantum Mechanical Properties to Predict Solvent Effects on Large Drug-Like Molecules." In Lecture Notes in Computer Science. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-72381-0_5.

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AbstractUnderstanding how solvation affects structure-property and property-property relationships of drug-like molecules is crucial for de novo design, as most relevant reactions occur in aqueous environments. We have thus performed an exhaustive analysis of the recently proposed Aquamarine dataset to gain insights into the effect of solvent-molecule interaction on the quantum-mechanical (QM) properties of large drug-like molecules. Our results show that the inclusion of an implicit solvent model of water changes the values of (extensive and intensive) QM properties but it does not alter the
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Madden, Paul A. "The Interference of Molecular and Interaction-Induced Effects in Liquids." In Phenomena Induced by Intermolecular Interactions. Springer US, 1985. http://dx.doi.org/10.1007/978-1-4613-2511-6_35.

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Greenaway, James B., and Jim J. Petrik. "Orthotopic, Syngeneic Mouse Model to Study the Effects of Epithelial–Stromal Interaction." In Methods in Molecular Biology. Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-547-7_31.

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Wagner, Günter P. "Two Rules for the Detection and Quantification of Epistasis and Other Interaction Effects." In Methods in Molecular Biology. Springer New York, 2014. http://dx.doi.org/10.1007/978-1-4939-2155-3_8.

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Yehia, Ahmed, Badr G. Ateya, and A. A. Youssef. "Adsorption of Collectors on Minerals — Effects of Lateral Interaction and Molecular Size." In Advances in Fine Particles Processing. Springer US, 1990. http://dx.doi.org/10.1007/978-1-4684-7959-1_13.

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Kirchner, T. "Electron—Interaction Effects in Ion-Induced Rearrangement and Ionization Dynamics: A Theoretical Perspective." In Many-Particle Quantum Dynamics in Atomic and Molecular Fragmentation. Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/978-3-662-08492-2_24.

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Kaplan, I. G., and A. M. Miterev. "Interaction of Charged Particles with Molecular Medium and Track Effects in Radiation Chemistry." In Advances in Chemical Physics. John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470142967.ch3.

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Nicklas, Jan, Lisa Ditscherlein, Shyamal Roy, Stefan Sandfeld, and Urs A. Peuker. "Microprocesses of Agglomeration, Hetero-coagulation and Particle Deposition of Poorly Wetted Surfaces in the Context of Metal Melt Filtration and Their Scale Up." In Multifunctional Ceramic Filter Systems for Metal Melt Filtration. Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-40930-1_15.

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AbstractIn this chapter the fundamental principles of the interaction of poorly wetted particles with interfaces of particles and bubbles are investigated in a water-based model system in which the similarity of poor wettability of non-metallic inclusions by molten metal and the poor wettability of silanized metal-oxide-particles by water is utilized. Capillary forces, the presence of nanobubbles and absorption of gas layers accompany the decreased wettability and lead to strong attractive forces. The combined effect of wettability and surface roughness is analyzed in detail, employing a varie
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Koch, Christiane P. "Quantum Effects in Cold and Controlled Molecular Dynamics." In Molecular Beams in Physics and Chemistry. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-63963-1_21.

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AbstractThis chapter discusses three examples of quantum effects that can be observed in state-of-the-art experiments with molecular beams—scattering resonances as a probe of interparticle interactions in cold collisions, the protection of Fano-Feshbach resonances against decay despite resonant coupling to a scattering continuum, and a circular dichroism in photoelectron angular distributions arising in the photoionization of randomly oriented chiral molecules. The molecular beam setup provides molecules in well-defined quantum states. This, together with a theoretical description based on fir
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Conference papers on the topic "Molecular interaction effects"

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Messer, Barry, Vasile Oprea, Keith Beaulieu, and Andrew Wright. "Role of Nascent Hydrogen in Refinery Corrosion." In CORROSION 2008. NACE International, 2008. https://doi.org/10.5006/c2008-08549.

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Abstract In the refinery industry, there is continuous dialogue over the cause and effects of molecular and ionized hydrogen on the corrosion of metals. This paper focuses on the role of nascent hydrogen, a short-lived, non-ionized, monatomic species at equilibrium with other atomic hydrogen species within various alloys. Nascent hydrogen, a major corrosion contributor, is not well understood and not addressed adequately in many refinery standards. The corrosion mechanisms and mechanical properties of different hydrogen species are discussed including their formation, interaction, and transpor
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Le Borgne, S., J. M. Romero, H. A. Videla, J. M. Gonzalez, and C. Saiz-Jiménez. "Practical Cases of the Use of Molecular Techniques to Characterize Microbial Deterioration of Metallic Structures in Industry." In CORROSION 2007. NACE International, 2007. https://doi.org/10.5006/c2007-07523.

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Abstract Two specific cases of applying molecular techniques for deciphering the role of microorganisms in industrial processes are presented: an offshore seawater injection system and a wastewater treatment plant. In the first case, deoxyribonucleic acid (DNA) was extracted from a water sample taken from an offshore seawater injection system and from enrichment cultures from the same sample. The V3 hypervariable region of the 16S rDNA gene was amplified by the polymerase chain reaction (PCR) and bacterial diversity was studied using denaturing gel gradient electrophoresis (DGGE). DGGE monitor
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Xu, Dongyan, Deyu Li, Yongsheng Leng, and Yunfei Chen. "Effects of Ion-Water Potentials in Molecular Dynamics Simulation of Ion Distribution in Nanochannels." In ASME 2006 International Mechanical Engineering Congress and Exposition. ASMEDC, 2006. http://dx.doi.org/10.1115/imece2006-15060.

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Understanding ion and fluid transport through highly confined nanochannels is important for the study of many interesting phenomena in nature and for the design of novel nanofluidic devices. Molecular dynamics has been proved to be a powerful tool to investigate the transport of ion and fluid in nanochannels, however, the results of molecular dynamics simulation depend on the selection of intermolecular potentials in the simulation. In this work, we applied two different ionwater interaction potentials to study their effects in the molecular dynamics simulation of ion distribution in the nanoc
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Zakharov, S. D., Mishik A. Kazaryan, and Nikolay P. Korotkov. "Some effects of interaction of laser radiation with small particles." In Second Conference on Pulsed Lasers: Pulsed Atomic and Molecular Transitions, edited by Victor F. Tarasenko, Georgy V. Mayer, and Gueorgii G. Petrash. SPIE, 1995. http://dx.doi.org/10.1117/12.216921.

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Duxbury, Geoffrey, and Alexander Alijah. "EFFECTS OF SPIN-ORBIT COUPLING ON THE SPIN-ROTATION INTERACTION IN THE AsH2 RADICAL." In 69th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.wi03.

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Kistenev, Yury V., Yurii N. Ponomarev, and Y. A. Shevchuk. "Sounding of gaseous admixtures in air using effects of nonlinear and nonstationary interaction." In High Resolution Molecular Spectroscopy: 11th Symposium and School, edited by Alexander I. Nadezhdinskii, Yu V. Ponomarev, and Leonid N. Sinitsa. SPIE, 1994. http://dx.doi.org/10.1117/12.166244.

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Banerjee, Soumik. "Molecular Simulation of the Self-Agglomeration of Carbon Nanostructures in Various Chemical Environments." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-89697.

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Self-assembly of carbon nanostructures in solutions provides a cost-effective means to synthesize uniform vertically-aligned nanostructures with specific morphologies including shapes such as wires, sheets and spherical particles. In addition to facilitating the synthesis of bulk carbon nanomaterial, a complete understanding of the agglomeration mechanics also provides a means to deposit uniform layers of carbon nanostructures on top of substrates to produce molecularly-tailored composites with specific mechanical properties. Self-assembly is a complex dynamical process that involves the inter
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NAKANO, MASAYOSHI, SATORU YAMADA, MASAHIRO TAKAHATA, and KIZASHI YAMAGUCHI. "SECOND HYPERPOLARIZABILITIES OF MOLECULAR AGGREGATES: INTERMOLECULAR ORBITAL-INTERACTION AND SPIN-CONFIGURATION EFFECTS." In Proceedings of the Asian Symposium on Nanotechnology and Nanoscience 2002. WORLD SCIENTIFIC, 2003. http://dx.doi.org/10.1142/9789812796714_0029.

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Kralj, Sebastjan, Milan Hodošček, Marko Jukić, and Urban Bren. "A comprehensive in silico protocol for fast automated mutagenesis and binding affinity scoring of protein-ligand complexes." In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.674k.

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Protein-protein interactions (PPI) are critical for cellular functions, host-pathogen dynamics and are crucial with drug design efforts. The interaction of proteins is dependent on the amino acid sequence of a protein as it determines its binding affinity to various molecules, including drugs, DNA, RNA, and proteins. Polymorphisms, natural DNA variations, affect PPIs by altering protein structure and stability. Computational chemistry is vital for the prediction of ligand-protein interactions through techniques such as docking and molecular dynamics and can elucidate the changes in energy asso
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Kanda, Kensuke, and Ming Yang. "Measurements of Surface Effects on Bio-Fluids Flow in Micro-Channel by Using SPM." In ASME 2004 International Mechanical Engineering Congress and Exposition. ASMEDC, 2004. http://dx.doi.org/10.1115/imece2004-59004.

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For the establishment of the design methodologies of micro fluidic chips, the essential analysis of the flow behavior on the micro-meter scale and surface interactions on the nano-scale has been investigated. The understanding of bio-fluid flow behavior in the micro-systems includes both the basic fluid dynamic problems and driving forces from the fields of application. Attention has been focused on the clarification of the surface effects on the solution of bio-molecular flow at micro-scale dimensions. Investigations of pressure drop measurements in bio-molecular flow together with measuremen
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Reports on the topic "Molecular interaction effects"

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Cahaner, Avigdor, Susan J. Lamont, E. Dan Heller, and Jossi Hillel. Molecular Genetic Dissection of Complex Immunocompetence Traits in Broilers. United States Department of Agriculture, 2003. http://dx.doi.org/10.32747/2003.7586461.bard.

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Objectives: (1) Evaluate Immunocompetence-OTL-containing Chromosomal Regions (ICRs), marked by microsatellites or candidate genes, for magnitude of direct effect and for contribution to relationships among multiple immunocompetence, disease-resistance, and growth traits, in order to estimate epistatic and pleiotropic effects and to predict the potential breeding applications of such markers. (2) Evaluate the interaction of the ICRs with genetic backgrounds from multiple sources and of multiple levels of genetic variation, in order to predict the general applicability of molecular genetic marke
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Eyal, Yoram, and Sheila McCormick. Molecular Mechanisms of Pollen-Pistil Interactions in Interspecific Crossing Barriers in the Tomato Family. United States Department of Agriculture, 2000. http://dx.doi.org/10.32747/2000.7573076.bard.

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During the evolutionary process of speciation in plants, naturally occurring barriers to reproduction have developed that affect the transfer of genes within and between related species. These barriers can occur at several different levels beginning with pollination-barriers and ending with hybrid-breakdown. The interaction between pollen and pistils presents one of the major barriers to intra- and inter-specific crosses and is the focus of this research project. Our long-term goal in this research proposal was defined to resolve questions on recognition and communication during pollen-pistil
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Sessa, Guido, and Gregory Martin. role of FLS3 and BSK830 in pattern-triggered immunity in tomato. United States Department of Agriculture, 2016. http://dx.doi.org/10.32747/2016.7604270.bard.

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Pattern-recognition receptors (PRRs) located on the plant cell surface initiate immune responses by perceiving conserved pathogen molecules known as pathogen-associated molecular patterns (PAMPs). PRRs typically function in multiprotein complexes that include transmembrane and cytoplasmickinases and contribute to the initiation and signaling of pattern-triggered immunity (PTI). An important challenge is to identify molecular components of PRR complexes and downstream signaling pathways, and to understand the molecular mechanisms that mediate their function. In research activities supported by
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Or, Etti, Tai-Ping Sun, Amnon Lichter, and Avichai Perl. Characterization and Manipulation of the Primary Components in Gibberellin Signaling in the Grape Berry. United States Department of Agriculture, 2010. http://dx.doi.org/10.32747/2010.7592649.bard.

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Seedless cultivars dominate the table grape industry. In these cultivars it is mandatory to apply gibberellin (GA) to stimulate berry development to a commercially acceptable size. These cultivars differ in their sensitivity to GA application, and it frequently results in adverse effects such as decreased bud fertility and increased fruit drop. Our long term goals are to (1) understand the molecular basis for the differential sensitivity and identify markers for selection of sensitive cultivars (2) to develop new strategies for targeted manipulation of the grape berry response to GA that will
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Gurevitz, Michael, William A. Catterall, and Dalia Gordon. Learning from Nature How to Design Anti-insect Selective Pesticides - Clarification of the Interacting Face between Insecticidal Toxins and their Na-channel Receptors. United States Department of Agriculture, 2010. http://dx.doi.org/10.32747/2010.7697101.bard.

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Structural details on the interacting faces of toxins and sodium channels (Navs), and particularly identification of elements that confer specificity for insects, are difficult to approach and require suitable experimental systems. Therefore, natural toxins capable of differential recognition of insect and mammalian Navs are valuable leads for design of selective compounds in insect control. We have characterized several scorpion toxins that vary in preference for insect and mammalian Navs, and identified residues important for their action. However, despite many efforts worldwide, only little
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Brown Horowitz, Sigal, Eric L. Davis, and Axel Elling. Dissecting interactions between root-knot nematode effectors and lipid signaling involved in plant defense. United States Department of Agriculture, 2014. http://dx.doi.org/10.32747/2014.7598167.bard.

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Root-knot nematodes, Meloidogynespp., are extremely destructive pathogens with a cosmopolitan distribution and a host range that affects most crops. Safety and environmental concerns related to the toxicity of nematicides along with a lack of natural resistance sources threaten most crops in Israel and the U.S. This emphasizes the need to identify genes and signal mechanisms that could provide novel nematode control tactics and resistance breeding targets. The sedentary root-knot nematode (RKN) Meloidogynespp. secrete effectors in a spatial and temporal manner to interfere with and mimic multi
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Ohad, Nir, and Robert Fischer. Regulation of Fertilization-Independent Endosperm Development by Polycomb Proteins. United States Department of Agriculture, 2004. http://dx.doi.org/10.32747/2004.7695869.bard.

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Arabidopsis mutants that we have isolated, encode for fertilization-independent endosperm (fie), fertilization-independent seed2 (fis2) and medea (mea) genes, act in the female gametophyte and allow endosperm to develop without fertilization when mutated. We cloned the FIE and MEA genes and showed that they encode WD and SET domain polycomb (Pc G) proteins, respectively. Homologous proteins of FIE and MEA in other organisms are known to regulate gene transcription by modulating chromatin structure. Based on our results, we proposed a model whereby both FIE and MEA interact to suppress transcri
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Gafni, Yedidya, and Vitaly Citovsky. Molecular interactions of TYLCV capsid protein during assembly of viral particles. United States Department of Agriculture, 2007. http://dx.doi.org/10.32747/2007.7587233.bard.

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Tomato yellow leaf curl geminivirus (TYLCV) is a major pathogen of cultivated tomato, causing up to 100% crop loss in many parts of the world. The present proposal, a continuation of a BARD-funded project, expanded our understanding of the molecular mechanisms by which CP molecules, as well as its pre-coat partner V2, interact with each other (CP), with the viral genome, and with cellular proteins during assembly and movement of the infectious virions. Specifically, two major objectives were proposed: I. To study in detail the molecular interactions between CP molecules and between CP and ssDN
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Gafni, Yedidya, and Vitaly Citovsky. Inactivation of SGS3 as Molecular Basis for RNA Silencing Suppression by TYLCV V2. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7593402.bard.

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The Israeli isolate of Tomato yellow leaf curl geminivirus(TYLCV-Is) is a major tomato pathogen, causing extensive crop losses in Israel and in the south-eastern U.S. Yet, little is known about the molecular mechanisms of its interaction with tomato cells. One of the most interesting aspects of such interaction is how the invading virus counteracts the RNA silencing response of the plant. In the former BARD project, we have shown that TYLCV-Is V2 protein is an RNA silencing suppressor, and that this suppression is carried out via the interaction of V2 with the SGS3 component of the plant RNA s
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Gafni, Yedidya, Moshe Lapidot, and Vitaly Citovsky. Dual role of the TYLCV protein V2 in suppressing the host plant defense. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7597935.bard.

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TYLCV-Is is a major tomato pathogen, causing extensive crop losses in Israel and the U.S. We have identified a TYLCV-Is protein, V2, which acts as a suppressor of RNA silencing. Intriguingly, the counter-defense function of V2 may not be limited to silencing suppression. Our recent data suggest that V2 interacts with the tomato CYP1 protease. CYP1 belongs to the family of papain-like cysteine proteases which participate in programmed cell death (PCD) involved in plant defense against pathogens. Based on these data we proposed a model for dual action of V2 in suppressing the host antiviral defe
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