Relevant bibliographies by topics / Natural molecules

Contents

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

Academic literature on the topic 'Natural molecules'

Author: Grafiati
Published: 4 June 2021
Last updated: 15 February 2022

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Journal articles on the topic "Natural molecules"

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Chen, Ya, Conrad Stork, Steffen Hirte, and Johannes Kirchmair. "NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules." Biomolecules 9, no. 2 (January 24, 2019): 43. http://dx.doi.org/10.3390/biom9020043.

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Natural products (NPs) remain the most prolific resource for the development of small-molecule drugs. Here we report a new machine learning approach that allows the identification of natural products with high accuracy. The method also generates similarity maps, which highlight atoms that contribute significantly to the classification of small molecules as a natural product or synthetic molecule. The method can hence be utilized to (i) identify natural products in large molecular libraries, (ii) quantify the natural product-likeness of small molecules, and (iii) visualize atoms in small molecules that are characteristic of natural products or synthetic molecules. The models are based on random forest classifiers trained on data sets consisting of more than 265,000 to 322,000 natural products and synthetic molecules. Two-dimensional molecular descriptors, MACCS keys and Morgan2 fingerprints were explored. On an independent test set the models reached areas under the receiver operating characteristic curve (AUC) of 0.997 and Matthews correlation coefficients (MCCs) of 0.954 and higher. The method was further tested on data from the Dictionary of Natural Products, ChEMBL and other resources. The best-performing models are accessible as a free web service at http://npscout.zbh.uni-hamburg.de/npscout.
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Clardy, Jon, and Christopher Walsh. "Lessons from natural molecules." Nature 432, no. 7019 (December 2004): 829–37. http://dx.doi.org/10.1038/nature03194.

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Reisberg, Solomon H., Yang Gao, Allison S. Walker, Eric J. N. Helfrich, Jon Clardy, and Phil S. Baran. "Total synthesis reveals atypical atropisomerism in a small-molecule natural product, tryptorubin A." Science 367, no. 6476 (January 2, 2020): 458–63. http://dx.doi.org/10.1126/science.aay9981.

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Molecular shape defines function in both biological and material settings, and chemists have developed an ever-increasing vernacular to describe these shapes. Noncanonical atropisomers—shape-defined molecules that are formally topologically trivial but are interconvertible only by complex, nonphysical multibond torsions—form a unique subset of atropisomers that differ from both canonical atropisomers (e.g., binaphthyls) and topoisomers (i.e., molecules that have identical connectivity but nonidentical molecular graphs). Small molecules, in contrast to biomacromolecules, are not expected to exhibit such ambiguous shapes. Using total synthesis, we found that the peptidic alkaloid tryptorubin A can be one of two noncanonical atropisomers. We then devised a synthetic strategy that drives the atropospecific synthesis of a noncanonical atrop-defined small molecule.
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Saikin, Semion K., Alexander Eisfeld, Stéphanie Valleau, and Alán Aspuru-Guzik. "Photonics meets excitonics: natural and artificial molecular aggregates." Nanophotonics 2, no. 1 (February 1, 2013): 21–38. http://dx.doi.org/10.1515/nanoph-2012-0025.

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AbstractOrganic molecules store the energy of absorbed light in the form of charge-neutral molecular excitations – Frenkel excitons. Usually, in amorphous organic materials, excitons are viewed as quasiparticles, localized on single molecules, which diffuse randomly through the structure. However, the picture of incoherent hopping is not applicable to some classes of molecular aggregates – assemblies of molecules that have strong near-field interaction between electronic excitations in the individual subunits. Molecular aggregates can be found in nature, in photosynthetic complexes of plants and bacteria, and they can also be produced artificially in various forms including quasi-one dimensional chains, two-dimensional films, tubes, etc. In these structures light is absorbed collectively by many molecules and the following dynamics of molecular excitation possesses coherent properties. This energy transfer mechanism, mediated by the coherent exciton dynamics, resembles the propagation of electromagnetic waves through a structured medium on the nanometer scale. The absorbed energy can be transferred resonantly over distances of hundreds of nanometers before exciton relaxation occurs. Furthermore, the spatial and energetic landscape of molecular aggregates can enable the funneling of the exciton energy to a small number of molecules either within or outside the aggregate. In this review we establish a bridge between the fields of photonics and excitonics by describing the present understanding of exciton dynamics in molecular aggregates.
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Espinosa Aguirre, J. J. "Natural molecules as quimiopreventive agents." Toxicology Letters 259 (October 2016): S14—S15. http://dx.doi.org/10.1016/j.toxlet.2016.07.072.

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Gottlieb, Alex D., John D. Head, and Dennis Perusse. "Natural molecular shells as open subsystems of small molecules." International Journal of Quantum Chemistry 111, no. 15 (January 19, 2011): 4158–73. http://dx.doi.org/10.1002/qua.22980.

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Bai, Wen-Ju, and Xiqing Wang. "Appreciation of symmetry in natural product synthesis." Natural Product Reports 34, no. 12 (2017): 1345–58. http://dx.doi.org/10.1039/c7np00045f.

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Molteni, Monica, Annalisa Bosi, and Carlo Rossetti. "Natural Products with Toll-Like Receptor 4 Antagonist Activity." International Journal of Inflammation 2018 (2018): 1–9. http://dx.doi.org/10.1155/2018/2859135.

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Toll-Like Receptors (TLRs) are the innate immunity receptors that play an activating role when interacting with molecules released by bacteria and viruses (PAMPs, pathogen-associated molecular patterns) or with molecules released by injured cells and tissues (DAMPs, danger-associated molecular patterns). TLR triggering leads to the induction of proinflammatory cytokines and chemokines, driving the activation of both innate and adaptive immunity. In particular, Toll-Like Receptor 4 (TLR4) has been described to be involved in the inflammatory processes observed in several pathologies (such as ischemia/reperfusion injury, neuropathic pain, neurodegenerative diseases, and cancer). Molecules obtained by natural sources have been discovered to exert an anti-inflammatory action by targeting TLR4 activation pathways. This review focuses on TLR4 antagonists obtained from bacteria, cyanobacteria, and plants.
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W.J.O.-T. "Molecules in Natural Science and Medicine." Journal of Molecular Structure 271, no. 1-2 (August 1992): 155–56. http://dx.doi.org/10.1016/0022-2860(92)80218-7.

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BENDER, CHARLIE. "Natural orbitals, diatomic molecules and ERD." Molecular Physics 100, no. 3 (February 10, 2002): 335–36. http://dx.doi.org/10.1080/00268970110095642.

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Dissertations / Theses on the topic "Natural molecules"

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Camou-Arriola, Fernando Alberto Josue. "Structure determinations of natural products and related molecules." Diss., The University of Arizona, 1989. http://hdl.handle.net/10150/184773.

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Structures were determined for 48 new natural products and several related compounds by NMR methods. One new natural product and two unnatural product structures were determined by X-ray diffraction. Molecular mechanics calculations on two indoles related to the neurotransmitter serotonin and on some synthetic cyclophanes were used to gain information about their preferred conformations. Considerable time is wasted redetermining the structures of known natural products when they are encountered in new sources. To help alleviate this problem, a database which searches on proton NMR chemical shifts was developed.
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O'Leary-Steele, Catherine Ann. "The synthesis of skeletally diverse, natural product-like small molecules." Thesis, University of Leeds, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.496526.

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Tang, Lam T. "New routes to heterocyclic product families." Thesis, University of Oxford, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.365338.

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Goté, Lisa R. "Alternate pathways of cytotoxic T lymphocyte and natural killer cell activation." Thesis, Virginia Tech, 1995. http://hdl.handle.net/10919/43130.

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CD44 is a transmembrane glycoprotein found on a variety of cells including those of myeloid and lymphoid origin. CD44 is highly conserved among various species and is involved in the homing of lymphocytes and monocytes to lymph nodes, Peyer's patches, and sites of inflammation. In the present study, we demonstrate that monoclonal antibody (mAb) 9F3, directed against murine CD44 expressed on cytotoxic T lymphocytes (CTls), can trigger the lytic activity of CTls and redirect CTl-mediated lysis to antigen-negative Fc receptor-positive target cells. Similar redirected lysis was also inducible using mAb MEL - 14, directed against the lymphocyte homing receptor for endothelium (gp - 90MEL-14). The redirected lysis induced by mAbs 9F3 and MEl-14 in the CTL was similar to that induced by mAbs against the aβ T-cell receptor or CD3. In contrast, mAbs directed against CDS, CD45R, and CD11a (LFA-1, lymphocyte function-associated antigen 1) failed to evoke lytic activity. Furthermore, CD44 and MEl-14 mAbs were able to mediate NK cell lysis of the NK-resistant tumor PS15. The current study demonstrates that CD44 and gp_90MEL-14 molecules, in addition to participating in T-cell homing and adhesion, may play a major role in delivering the transmembrane signal to the CTl that triggers the lytic activity, even when the T cell receptor is not occupied. The alternate pathway of CTL activation characterized in this study may exhibit both beneficial and deleterious effects on the host. On one hand, this property may enable CTL to kill cancer cells or virally-infected cells which may fail to express major histocompatibility complex (MHC)-encoded antigens. On the other hand, this alternate pathway may contribute to nonspecific tissue damage seen at sites of inflammation.


Master of Science
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Wang, Siyuan. "Engineering of polyketide biosynthetic pathways for bioactive molecules." DigitalCommons@USU, 2016. https://digitalcommons.usu.edu/etd/4684.

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Polyketides are a large group of structurally diverse natural products that have shown a variety of biological activities. These molecules are synthesized by polyketide synthases (PKSs). PKSs are classified into three types based on their sequence, primary structure, and catalytic mechanism. Because of the bioactivities of polyketide natural products, this study is focused on the engineering of PKS pathways for efficient production of useful bioactive molecules or structural modification to create new molecules for drug development. One goal of this research is to create an efficient method to produce pharmaceutically important molecules. Seven biosynthetic genes from plants and bacteria were used to establish a variety of complete biosynthetic pathways in Escherichia coli to make valuable plant natural products, including four phenylpropanoid acids, three bioactive natural stilbenoids, and three natural curcuminoids. A curcumin analog dicafferolmethane was synthesized by removing a methyltransferase from the curcumin biosynthetic pathway. Furthermore, introduction of a fungal flavin-dependent halogenase into the resveratrol biosynthetic pathway yielded a novel chlorinated molecule 2-chloro-resveratrol. This demonstrated that biosynthetic enzymes from different sources can be recombined like legos to make various plant natural products, which is more efficient (2-3 days) than traditional extraction from plants (months to years). Phenylalanine ammonia-lyase (PAL) is a key enzyme involved in the first biosynthetic step of some plant phenylpropanoids. Based on the biosynthetic pathway of curcuminoids, a novel and efficient visible reporter assay was established for screening of phenylalanine ammonia-lyase (PAL) efficiency in Escherichia coli. The other goal of this research is to characterize and engineer natural product biosynthetic pathways for new bioactive molecules. The biosynthetic gene cluster of the antibacterial compound dutomycin was discovered from Streptomyces minoensis NRRL B-5482 through genome sequencing. Confirmation of the involvement of this gene cluster in dutomycin biosynthesis and creation of a series of new molecules were successfully conducted by rationally modifying the biosynthetic pathway. More importantly, a new demethylated analog of dutomycin was found to have much higher antibacterial activity against Staphylococcus aureus and methicillin-resistant Staphylococcus aureus.
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Süß, Barbara [Verfasser]. "Taste Molecules and Taste Modulators Generated by Targeted Natural Product Transformation / Barbara Süß." München : Verlag Dr. Hut, 2013. http://d-nb.info/1042307873/34.

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Rhys, Natasha Hazel. "Exploring the structural properties of natural and synthetic biological molecules in aqueous solution." Thesis, University of Leeds, 2015. http://etheses.whiterose.ac.uk/11248/.

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Peptoids are synthetic mimics of naturally-occurring peptides (the natural building blocks of proteins). These interesting building blocks are more resistant to temperature, pH and solvent denaturation, and possess a more exible backbone compared to their peptide counterparts. As a result, peptoids are emerging as promising biomimetic materials for a range of applications. Despite this potential, very little is known about the intermolecular interactions which determine their stability and solubility, including hydrogen-bonding, hydrophobic interactions and hydration properties, as well the structural properties of the individual imino acid blocks that make them. This thesis presents neutron diffraction experiments coupled with isotopic substitution and computational modelling to complete a structural study on a model imino acid in aqueous solution. The focus here has been on glutamine, a molecule that is capable of forming multiple hydrogen bonds and is thought to self-assemble through preferential side-chain hydrogen bond interactions, making it an interesting model system. Furthermore, glutamine is important in many biochemical processes and its presence has been associated with a number of neurodegenerative diseases. By probing the structural properties of the model system in aqueous solution and of its amino acid equivalent, L-glutamine, it has been possible to uncover details of important intermolecular interactions that govern the properties of these biomolecules. The interactions of the model imino acid have also been observed with respect to temperature and concentration and compared to a naturally-occurring imino acid, sarcosine, to determine the impact of side chain on imino acid interactions. This work also serves as a reference for completing structural studies on such biomolecules, covering methodological benefits and limitations. This is the necessary first step in building a framework to understand the self-assembly and driving forces in more complex peptoid and peptide structures and serves as a reference for completing neutron studies on natural and synthetic biomolecules.
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Backström, Eva. "Expression of stimulatory and inhibitory molecules in interactions between natural killer cells and neurons /." Stockholm, 2003. http://diss.kib.ki.se/2003/91-7349-516-6.

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De, Ghellinck D'Elseghem Alexis. "Natural and model membranes: structure and interaction with bio-active molecules via neutron reflection." Doctoral thesis, Universite Libre de Bruxelles, 2013. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/209550.

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Dans cette thèse de doctorat, la structure de membranes naturelles et modèles et leurs interactions avec des molécules biologiquement actives ont été étudiées au moyen de la réflectométrie de neutrons. Les lipides naturels ont été extraits de la levure Pichia pastoris, poussée en milieux deutéré et hydrogéné. L’analyse a montré que la quantité relative de phospholipides n’est pas affectée par le changement en composition isotopique du milieu de croissance. Cependant, les cellules de levures deutérées contiennent principalement des acides gras C18 :1 alors que le degré d’insaturation est plus élevé chez les levures hydrogénés. Diminuer la température du milieu de croissance permet d’augmenter le degré d’insaturation des acides gras chez les levures deutérées. Une analyse qualitative des sphingolipides a été réalisée et un protocole pour séparer les fractions phosphocholines et phosphoethanolamine a été établi.

La structure de bicouches composées des lipides de levures a été étudiée par réflectivité de neutrons. La bicouche composée de lipides deutérés polaires a une épaisseur similaire aux bicouches faites de phosphocholines C18:1 synthétiques. En présence de stérols, la rugosité aux interfaces entre les têtes polaires et les chaînes augmente. La bicouche composée de lipides polaires hydrogénés est plus mince que celle deutérée. Ceci est dû à la composition en acides gras beaucoup plus variée et du plus grand nombre d’insaturations. En présence de stérols, l’épaisseur de la bicouche hydrogénée augmente.

L’interaction de ces bicouches avec l’amphotéricine B (AmB) a été étudiée. L’AmB est un antifongique qui interagit fortement avec les membranes contenant de l’ergostérol et moins fortement avec des membranes contenant du cholestérol. Dans tous les cas, les molécules d’AmB forment une couche épaisse et diluée au dessus de la bicouche lipidique. En présence de stérols, les molécules d’AmB pénètrent dans la bicouche et change sa structure selon la composition en acide gras.

La structure de bicouches lipidiques de plante et leurs interactions avec des intermédiaires de synthèse ont aussi été étudiées par réflectivité de neutrons. Des mélanges ternaires de plantes étaient déposés sur silicium et des mélanges quaternaires sur saphir. L’épaisseur de la bicouche composée de mélange ternaire est de 38 Å, tandis que celle du mélange ternaire est de 28 Å, la différence venant probablement d’un effet de substrat. La présence de diacylglycérol (DAG) a comme conséquence d’augmenter l’aire par lipide, et ainsi de changer la conformation des têtes polaires. L’interaction des bicouches de lipide de plante avec l’acide phosphatidique (PA) dans le but d’observer un flip-flop possible a aussi été étudiée mais le PA a tendance à désorbé les bicouches du substrat et aucun mécanisme de flip flop n’a été détecté.

Finalement, la localisation d’une petite molécule, le resvératrol, dans des bicouches modèles a été étudiée. Le resvératrol est connu pour être responsable du « paradoxe français » qui est une corrélation inverse entre la consommation d’aliment gras et un faible taux de maladie cardiaque. Quand le resvératrol est adsorbé à partir de la phase liquide, il induit une réorganisation des têtes polaires. Quand il est déposé sur le substrat en présence des lipides, il est présent à l’interface entre les têtes polaires et les chaines.


Doctorat en Sciences
info:eu-repo/semantics/nonPublished

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Morita, Masaki. "Synthesis of Cage-Shaped Molecules of Physalins for Biological Evaluations." 京都大学 (Kyoto University), 2014. http://hdl.handle.net/2433/188511.

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Books on the topic "Natural molecules"

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Wrigley, Stephen K., Robert Thomas, Neville Nicholson, and Colin Bedford, eds. Functional Molecules from Natural Sources. Cambridge: Royal Society of Chemistry, 2010. http://dx.doi.org/10.1039/9781849732079.

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Wrigley, Stephen. Functional molecules from natural sources. Cambridge: Royal Society of Chemistry, 2011.

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Cechinel Filho, Valdir, ed. Natural Products as Source of Molecules with Therapeutic Potential. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-030-00545-0.

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Sharpe, Robert J. Stereoselective Desymmetrization Methods in the Assembly of Complex Natural Molecules. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-39025-3.

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Maksić, Z. B. Molecules in natural science and medicine: An encomium for Linus Pauling. New York: Ellis Horwood, 1991.

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Collins, J. C. The matrix of life: A view of natural molecules from the perspective of environmental water. East Greenbush, N.Y: Molecular Presentations, 1991.

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Flapan, Erica. Knots, molecules, and the universe: An introduction to topology. Providence, Rhode Island: American Mathematical Society, 2015.

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Indo-US Conference on "New Bioactive Molecules in Pharmaceutical Research--Contribution of Natural Products" (2008 Indian Institute of Chemical Technology). Indo-US Conference on "New Bioactive Molecules in Pharmaceutical Research--Contribution of Natural Products": 13-14 November 2006, at Indian Institute of Chemical Technology. [Hyderabad: Indian Institute of Chemical Technology, 2006.

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Technology), Indo-US Conference on "New Bioactive Molecules in Pharmaceutical Research-Contribution of Natural Products" (2006 Indian Institute of Chemical. Indo-US Conference on "New Bioactive Molecules in Pharmaceutical Research--Contribution of Natural Products": 13-14 November 2006, at Indian Institute of Chemical Technology. [Hyderabad: Indian Institute of Chemical Technology, 2006.

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Du, Guan-Hua. Natural Small Molecule Drugs from Plants. Singapore: Springer Singapore, 2018. http://dx.doi.org/10.1007/978-981-10-8022-7.

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Book chapters on the topic "Natural molecules"

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Field, Robert A. "Oligosaccharide Signalling Molecules." In Plant-derived Natural Products, 349–59. New York, NY: Springer US, 2009. http://dx.doi.org/10.1007/978-0-387-85498-4_16.

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Elias, Hans-Georg. "Genuine Plastics and Other Natural Products." In Mega Molecules, 1–5. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-71900-4_1.

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Horstkorte, Rüdiger, Bettina Büttner, Kaya Bork, Navdeep Sahota, Sarah Sabir, Laura O’Regan, Joelle Blot, et al. "Natural Cytotoxicity Receptors (NCR)." In Encyclopedia of Signaling Molecules, 1183. New York, NY: Springer New York, 2012. http://dx.doi.org/10.1007/978-1-4419-0461-4_100892.

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Horstkorte, Rüdiger, Bettina Büttner, Kaya Bork, Navdeep Sahota, Sarah Sabir, Laura O’Regan, Joelle Blot, et al. "Natural Killer Cell Group (NKG)." In Encyclopedia of Signaling Molecules, 1183. New York, NY: Springer New York, 2012. http://dx.doi.org/10.1007/978-1-4419-0461-4_100893.

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Rodriguez-Amaya, Delia B. "Natural Food Pigments and Colorants." In Bioactive Molecules in Food, 867–901. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-319-78030-6_12.

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Suzuki, Yasuhiro. "Fluctuation Induced Structure in Chemical Reaction with Small Number of Molecules." In Natural Computing, 290–97. Tokyo: Springer Japan, 2010. http://dx.doi.org/10.1007/978-4-431-53868-4_33.

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Bennetau-Pelissero, Catherine. "Natural Estrogenic Substances, Origins, and Effects." In Bioactive Molecules in Food, 1157–224. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-319-78030-6_10.

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Irimia-Vladu, Mihai, Eric D. Głowacki, N. Serdar Sariciftci, and Siegfried Bauer. "Natural Materials for Organic Electronics." In Small Organic Molecules on Surfaces, 295–318. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-33848-9_12.

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Bailly, Christian. "Lamellarins: A Tribe of Bioactive Marine Natural Products." In Outstanding Marine Molecules, 377–86. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2014. http://dx.doi.org/10.1002/9783527681501.ch17.

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Shimizu, Yuzuru. "Dinoflagellates as Sources of Bioactive Molecules." In Pharmaceutical and Bioactive Natural Products, 391–410. Boston, MA: Springer US, 1993. http://dx.doi.org/10.1007/978-1-4899-2391-2_10.

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Conference papers on the topic "Natural molecules"

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Shahbazi, Zahra, Horea T. Ilies¸, and Kazem Kazerounian. "Protein Molecules as Natural Nano Bio Devices: Mobility Analysis." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13021.

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Proteins are nature’s nano-robots in the form of functional molecular components of living cells. The function of these natural nano-robots often requires conformational transitions between two or more native conformations that are made possible by the intrinsic mobility of the proteins. Understanding these transitions is essential to the understanding of how proteins function, as well as to the ability to design and manipulate protein-based nano-mechanical systems [1]. Modeling protein molecules as kinematic chains provides the foundation for developing powerful approaches to the design, manipulation and fabrication of peptide based molecules and devices. Nevertheless, these models possess a high number of degrees of freedom (DOF) with considerable computational implications. On the other hand, real protein molecules appear to exhibits a much lower mobility during the folding process than what is suggested by existing kinematic models. The key contributor to the lower mobility of real proteins is the formation of Hydrogen bonds during the folding process.
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Messaili, S., C. Colas, and E. Destandau. "Molecular networks and CPC fractionation for rapid screening of bioactive natural molecules." In 67th International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research (GA) in cooperation with the French Society of Pharmacognosy AFERP. © Georg Thieme Verlag KG, 2019. http://dx.doi.org/10.1055/s-0039-3399696.

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Roy, Sukhdev. "Natural Photoreceptor Proteins : Novel Molecules for Photonic Applications." In International Conference on Fibre Optics and Photonics. Washington, D.C.: OSA, 2016. http://dx.doi.org/10.1364/photonics.2016.w4b.2.

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Soare, G. "A Physical Model of the Molecular-Quantum Natural Convection Heat Transfer Mechanism." In ASME 2003 Heat Transfer Summer Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/ht2003-47401.

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In this work a physical model of the natural convection heat transfer mechanism, molecular-quantum in nature, is proposed. On the surface of the solid there are a lot of chemical defects (atoms of different chemical elements) and geometrical ones (steps, kinks, terraces, dislocations) at microscopic and nanoscopic scale. All these defects make the surface of the wall to be not an equipotential surface. On the other hand, the existence of a gradient of temperature in a metal wall, which is involved in a heat transfer process, generates a gradient of conduction electrons. On the cool face of the wall there are more electrons as a result of Pe´ltier-Thomson effect. Because of surface’s defects the electrons are not uniformly distributed, on a high defect there are more electrons than on a depth defect and the electrical field is more intense on the high defect. The molecules of the fluid are adsorbed on the surface, and become polar molecules, as a result of the polarization by influence. The absorbed molecules form a multilayer in which take place more elementary processes, molecular-quantum in nature. These elementary processes are: the overlap between the electronic orbital of the solid and fluid, electron clouds perturbation, solid-fluid electron exchange by quantum tunneling effect, the motion under action of the Helmann-Feynman force between adsorbed molecules and a high defect of the wall, the absorption of the phonons from the surface’s atoms and rejection of the molecules from the surface. In this way natural convection is generated. The proposed model needs directly experimental confirmation.
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Mohajeri, R., A. Sobhani Khakestar, M. S. Hejazi, and M. Fardmanesh. "Analysis of impedance stabilization of natural and metallic DNA molecules." In 2012 19th Iranian Conference of Biomedical Engineering (ICBME). IEEE, 2012. http://dx.doi.org/10.1109/icbme.2012.6519673.

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Olenic, L., A. Vulcu, I. Chiorean, M. Crisan, C. Berghian-Grosan, S. Dreve, L. David, et al. "Effect of natural extracts pH on morphological characteristics of hybrid materials based on gold nanoparticles." In PROCESSES IN ISOTOPES AND MOLECULES (PIM 2013). AIP, 2013. http://dx.doi.org/10.1063/1.4833735.

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Petersen, F. "Natural products based molecules for target and drug discovery in pharmaceutical research." In GA 2017 – Book of Abstracts. Georg Thieme Verlag KG, 2017. http://dx.doi.org/10.1055/s-0037-1608577.

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Pintea, A. O., D. L. Manea, C. Aciu, E. Jumate, and R. Fechete. "Plastering mortar with organic natural polymers studied by 1H NMR relaxometry." In 12TH INTERNATIONAL CONFERENCE OF PROCESSES IN ISOTOPES AND MOLECULES (PIM 2019). AIP Publishing, 2020. http://dx.doi.org/10.1063/5.0000321.

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Sucman, Natalia, Timur Andrusenco, and Fliur Macaev. "Synthesis of hybrid molecules by interaction of 2-hydroxy juglone with terpenoid aldehydes." In New frontiers in natural product chemistry, scientific seminar with international participation. Institute of Chemistry, 2021. http://dx.doi.org/10.19261/nfnpc.2021.ab29.

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Liu, Runkeng, and Zhenyu Liu. "Enhanced Mechanism of Water Evaporation Through Nanoporous Membrane." In ASME 2021 Heat Transfer Summer Conference collocated with the ASME 2021 15th International Conference on Energy Sustainability. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/ht2021-61719.

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Abstract Evaporation through nanoporous membrane has attracted tremendous research attention as a ubiquitous natural phenomenon, which can be used in numerous applications. In this work, we explored the ultrathin water film evaporation process on nanoporous membrane based on non-equilibrium molecular dynamics simulation. A heat localization design of multilayer graphene coated at the bottom of membrane was implemented to reduce the heat loss along the non-evaporation direction. The underlying mechanism of water evaporation through nanoporous membrane was investigated after analysis of the average number of hydrogen bonds per water molecule, the temperature variation and the mean squared displacement of water molecular during the evaporation process. The results showed that the change of pore size will affect the water molecules structure. We also discussed the effect of heat localization design on ultrathin water film evaporation process. The result suggested that water molecules are more active and evaporation efficiency is improved correspondingly. This work reveals the feasibility of the novel nanoporous membrane structure design for enhancing heat and mass transfer, which can be adopted in efficient thermal management and low-cost approaches for water desalination.
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Reports on the topic "Natural molecules"

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Corbin, William, Oscar Negrete, and Edwin Saada. COVID-19 Infection Prevention through Natural Product Molecules. Office of Scientific and Technical Information (OSTI), October 2020. http://dx.doi.org/10.2172/1678839.

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Zolandz, Dorothy. Research Frontiers in Bioinspired Energy: Molecular-Level Learning from Natural Systems: A Workshop. Office of Scientific and Technical Information (OSTI), March 2012. http://dx.doi.org/10.2172/1037335.

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Boto, Luis. Uso de técnicas de Biología Molecular en las Ciencias Naturales. Sociedad Española de Bioquímica y Biología Molecular (SEBBM), August 2010. http://dx.doi.org/10.18567/sebbmdiv_rpc.2010.08.1.

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Bennett, Michael. Molecular Basis of Natural Killer Cell Tumor Target Recognition: The NKr/MHC Class I Complex. Fort Belvoir, VA: Defense Technical Information Center, October 2001. http://dx.doi.org/10.21236/ada398189.

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Hasemann, Charles A. Molecular Basis of Natural Killer Cell Tumor Target Recognition: The NKr/MHC Class I Complex. Fort Belvoir, VA: Defense Technical Information Center, October 1999. http://dx.doi.org/10.21236/ada391281.

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Rajarajan, Kunasekaran, Alka Bharati, Hirdayesh Anuragi, Arun Kumar Handa, Kishor Gaikwad, Nagendra Kumar Singh, Kamal Prasad Mohapatra, et al. Status of perennial tree germplasm resources in India and their utilization in the context of global genome sequencing efforts. World Agroforestry, 2020. http://dx.doi.org/10.5716/wp20050.pdf.

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Tree species are characterized by their perennial growth habit, woody morphology, long juvenile period phase, mostly outcrossing behaviour, highly heterozygosity genetic makeup, and relatively high genetic diversity. The economically important trees have been an integral part of the human life system due to their provision of timber, fruit, fodder, and medicinal and/or health benefits. Despite its widespread application in agriculture, industrial and medicinal values, the molecular aspects of key economic traits of many tree species remain largely unexplored. Over the past two decades, research on forest tree genomics has generally lagged behind that of other agronomic crops. Genomic research on trees is motivated by the need to support genetic improvement programmes mostly for food trees and timber, and develop diagnostic tools to assist in recommendation for optimum conservation, restoration and management of natural populations. Research on long-lived woody perennials is extending our molecular knowledge and understanding of complex life histories and adaptations to the environment, enriching a field that has traditionally drawn its biological inference from a few short-lived herbaceous species. These concerns have fostered research aimed at deciphering the genomic basis of complex traits that are related to the adaptive value of trees. This review summarizes the highlights of tree genomics and offers some priorities for accelerating progress in the next decade.
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Schutt, Timothy C., and Manoj K. Shukla. Computational Investigation on Interactions Between Some Munitions Compounds and Humic Substances. Engineer Research and Development Center (U.S.), February 2021. http://dx.doi.org/10.21079/11681/39703.

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Humic acid substances (HAs) in natural soil and sediment environments effect the retention and degradation of insensitive munitions compounds and legacy high explosives (MCs): DNAN, DNi- NH4+, nMNA, NQ, NTO (neutral and anionic forms), TNT, and RDX.A humic acid model compound has been considered using molecular dynamics, thermodynamic integration, and density functional theory to characterize the munition binding ability, ionization potential, and electron affinity compared to that in the water solution. Humic acids bind most compounds and act as both a sink and source for electrons. Ionization potentials suggest HAs are more susceptible to oxidation than the MCs studied. The electron affinity of HAs are very conformation-dependent and spans the same range as the munition compounds. When HAs and MCs are complexed the HAs tend to radicalize first thus buffering MCs against reductive as well as oxidative attacks.
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Grimes, R. W. Natural gas cleanup: Evaluation of a molecular sieve carbon as a pressure swing adsorbent for the separation of methane/nitrogen mixtures. Office of Scientific and Technical Information (OSTI), June 1994. http://dx.doi.org/10.2172/10170816.

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Savova, Gergana, Katya Stankova, Nevena Aneva, and Rayna Boteva. Geldanamycin, Natural Benzoquinone and Inhibitor of the Molecular Chaperone Hsp90, Accelerates the Repair of DNA Doublestrand Breaks in Human Blood Cells. "Prof. Marin Drinov" Publishing House of Bulgarian Academy of Sciences, May 2021. http://dx.doi.org/10.7546/crabs.2021.05.08.

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Heinz, Hendrik, Barry L. Farmer, Ras B. Pandey, Joseph M. Slocik, Sournya S. Patnaik, Ruth Pachter, and Rajesh R. Naik. Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution (Supporting Information). Fort Belvoir, VA: Defense Technical Information Center, January 2009. http://dx.doi.org/10.21236/ada509904.

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