Relevant bibliographies by topics / Structure elucidation

Contents

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

Academic literature on the topic 'Structure elucidation'

Author: Grafiati
Published: 4 June 2021
Last updated: 25 July 2025

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Journal articles on the topic "Structure elucidation"

1

Elyashberg, Mikhail, Kirill Blinov, Sergey Molodtsov, and Antony Williams. "Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches." Magnetic Resonance in Chemistry 50, no. 1 (2012): 22–27. http://dx.doi.org/10.1002/mrc.2849.

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Neudert, Reinhard, and Michael Penk. "Enhanced Structure Elucidation†." Journal of Chemical Information and Computer Sciences 36, no. 2 (1996): 244–48. http://dx.doi.org/10.1021/ci9500997.

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Pérez, Serge, and Henri Chanzy. "Crystal structure analysis of linear polysaccharides." Proceedings, annual meeting, Electron Microscopy Society of America 45 (August 1987): 484–87. http://dx.doi.org/10.1017/s0424820100127098.

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Carbohydrates molecules are ubiquitous in Nature, where they play a crucial rôle in promoting structure, texture or establishing storage; furthermore, their implications in biological recognition is now established. Such a spectrum of functions for carbohydrates arises from their ability to generate a large number of highly specific structures from only a small number of monomeric residues. To understand the molecular basis of such native arrangements, the elucidation at the atomic level of the 3-dimensional structures has to be performed. Fiber diffraction provides a method for the structure
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Gray, Neil A. B., and Albert Platt. "Computer assisted structure elucidation." Analytica Chimica Acta 201 (1987): 367. http://dx.doi.org/10.1016/s0003-2670(00)85366-0.

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Warr, Wendy A. "COMPUTER-ASSISTED STRUCTURE ELUCIDATION." Analytical Chemistry 65, no. 24 (1993): 1087A—1095A. http://dx.doi.org/10.1021/ac00072a728.

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Luinge, H. J. "Data for structure elucidation." TrAC Trends in Analytical Chemistry 9, no. 6 (1990): X. http://dx.doi.org/10.1016/0165-9936(90)87049-r.

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DeTar, DeLosF. "Computer-Assisted Structure Elucidation." Computers & Chemistry 11, no. 3 (1987): 228. http://dx.doi.org/10.1016/0097-8485(87)80024-4.

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Richards, W. G. "Computer-assisted structure elucidation." Endeavour 11, no. 2 (1987): 107–8. http://dx.doi.org/10.1016/0160-9327(87)90262-6.

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Kuo, MING-S., DAVID A. YUREK, and STEPHEN A. MIZSAK. "Structure elucidation of ficellomycin." Journal of Antibiotics 42, no. 3 (1989): 357–60. http://dx.doi.org/10.7164/antibiotics.42.357.

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Elyashberg, M. E., A. J. Williams, and G. E. Martin. "Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation." Progress in Nuclear Magnetic Resonance Spectroscopy 53, no. 1-2 (2008): 1–104. http://dx.doi.org/10.1016/j.pnmrs.2007.04.003.

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Dissertations / Theses on the topic "Structure elucidation"

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Li, Guoqiang. "Structure elucidation of bioactive natural products." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0004/NQ29469.pdf.

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Thistlethwaite, Iain R. G. "Structure elucidation of the kalimantacin antibiotics." Thesis, University of Bristol, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.685333.

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In this thesis the production, isolation and purification of the kalimantacin antibiotics are described along with details of the elucidation of the structures including the relative and absolute stereochemistry. Kalimantacin A, isolated from Pseudomonas jluorescens strain BCCM_ ID9359, is biosynthesised by a trans-AT type I polyketide synthase (PKS) and exhibits strong and selective activity against multi-resistant Staphylococcus aureus (MRSA). Two mutant strains, ~batF and ~batM, have been produced from which 17- hydroxy analogue 20, 27-descarbamoyl analogue 21 and 17-hydroxy-27-descarbamoyl
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施麗琼 and Lai-king Sy. "Structure elucidation and oxidation chemistry of natural products." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1998. http://hub.hku.hk/bib/B3123768X.

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Murphy, Annabel Christine. "Structure Elucidation and Synthesis of Natural Products." Thesis, University of Canterbury. Chemistry, 2008. http://hdl.handle.net/10092/1748.

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In this thesis, synthetic chemistry was used as a tool in the exploration of various aspects of natural products discovered by the natural products research group at the University of Canterbury. Work on the constituent amino acids and connectivity of the pteratides, a potently cytotoxic series of cyclodepsipeptides, had been completed before the beginning of this work (carried out by Miss C. Chen). The elucidation of the stereochemistry of the constituent amino acids was undertaken in this present work. The synthesis of all stereochemical entities of a number of unusual amino acids, which wer
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Chatterjee, Ashraf Anne Kublawi. "Structure elucidation of biopolymers by mass spectrometry." Thesis, Imperial College London, 1990. http://hdl.handle.net/10044/1/47800.

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Abildgaard, Jens. "Quantum chemical models in molecular structure elucidation /." Roskilde : Roskilde University, Department of Life Sciences and Chemistry, 1998. http://hdl.handle.net/1800/535.

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Buchanan, H. J. "The synthesis and structure elucidation of organotin-steroids." Thesis, University of Aberdeen, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.592189.

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The thesis was concerned with the synthesis structures and activity and reactivities of stannylated steroid derivatives. Most attention has been paid to cholesterol and cholestene derivatives. Directly bonded stannylated cholestene derivatives have been obtained by various routes. 3α-triphenylstannylcholest-5-ene was obtained from the regiospecific reaction of Ph<SUB>3</SUB>SnLi with cholesteryl sulphonates; 3β-triorganostannylcholest-5-ene was obtained by the regiospecific reaction of Ph<SUB>3</SUB>SnCl with 3β-chloromagnesiocholest-5-ene. The Barbieri-type reaction of Ph<SUB>3</SUB>SnCl and
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Chan, Anna Leung. "The structure elucidation of glycoproteins by mass spectrometry." Thesis, Imperial College London, 1991. http://hdl.handle.net/10044/1/46703.

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Tatolo, Godiraone. "Improved NMR-based methods for molecular structure elucidation." Thesis, University of Bristol, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.680109.

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The use of 1H_I3C NMR correlations and its corresponding I1JCH has found a tremendous use in structural elucidation of organic compounds. Chapter 1 highlights different methods for determination of IH_13C correlations and for the measurement of I1JCH. In this work we reported two improved methods for determination of IH_I3C correlations (CTgc2HMBC) and, for the measurement of nJCH (SelEXSIDE). Chapter 2 describes the work undeliaken in order to quantify improvements to the gradient heteronuclear multiple bond correlation (HMBC) experiment specifically to design a constant time gradient HMBC (C
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Sy, Lai-king. "Structure elucidation and oxidation chemistry of natural products /." Hong Kong : University of Hong Kong, 1998. http://sunzi.lib.hku.hk/hkuto/record.jsp?B19737300.

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Books on the topic "Structure elucidation"

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Duddeck, Helmut, Wolfgang Dietrich, and Gábor Tóth. Structure Elucidation by Modern NMR. Steinkopff, 1998. http://dx.doi.org/10.1007/978-3-642-88310-1.

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Cid, Maria-Magdalena, and Jorge Bravo, eds. Structure Elucidation in Organic Chemistry. Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527664610.

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Duddeck, H., and W. Dietrich. Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7.

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Duddeck, Helmut, and Wolfgang Dietrich. Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9.

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Duddeck, H. Structure elucidation by modern NMR: A workbook. Steinkopff, 1989.

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Duddeck, H. Structure elucidation by modern NMR: A workbook. 2nd ed. Steinkopff, 1992.

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1942-, Pretsch Ernö, ed. Computer-aided structure elucidation: Spectra interpretation and structure generation. Wiley-VCH, 2002.

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Elyashberg, Mikhail E., and Antony J. Williams. Computer–Based Structure Elucidation from Spectral Data. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46402-1.

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W, Dietrich, ed. Structure elucidation by modern NMR: A workbook. 2nd ed. Steinkopff Verlag, 1992.

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W, Dietrich, and Tóth Gábor Ph D, eds. Structure elucidation by modern NMR: A workbook. 3rd ed. Steinkopff Verlag, 1998.

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Book chapters on the topic "Structure elucidation"

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Wieland, Theodor, and Miklos Bodanszky. "Structure Elucidation." In The World of Peptides. Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-75850-8_6.

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Webster, Francis X., and David J. Kiemle. "Structure Elucidation by NMR." In Methods in Chemical Ecology Volume 1. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5423-3_5.

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Elyashberg, Mikhail E., and Antony J. Williams. "Strategies of Structure Elucidation." In Lecture Notes in Chemistry. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46402-1_2.

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Steinbeck, Christoph. "Computer-Assisted Structure Elucidation." In Handbook of Chemoinformatics. Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527618279.ch43a.

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Moschny, Julia, Georgios Daletos, Peter Proksch, and Chambers C. Hughes. "Structure Elucidation of Antibiotics." In Methods in Molecular Biology. Springer US, 2022. http://dx.doi.org/10.1007/978-1-0716-2855-3_6.

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Elyashberg, Mikhail E., and Antony J. Williams. "Structure Elucidation Using Strict Structure Generation." In Lecture Notes in Chemistry. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46402-1_4.

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Elyashberg, Mikhail E., and Antony J. Williams. "Simple Examples of Structure Elucidation." In Lecture Notes in Chemistry. Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-46402-1_3.

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Duddeck, Helmut, Wolfgang Dietrich, and Gábor Tóth. "Introduction." In Structure Elucidation by Modern NMR. Steinkopff, 1998. http://dx.doi.org/10.1007/978-3-642-88310-1_1.

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Duddeck, Helmut, Wolfgang Dietrich, and Gábor Tóth. "Methodology." In Structure Elucidation by Modern NMR. Steinkopff, 1998. http://dx.doi.org/10.1007/978-3-642-88310-1_2.

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Duddeck, Helmut, Wolfgang Dietrich, and Gábor Tóth. "Demonstration Examples." In Structure Elucidation by Modern NMR. Steinkopff, 1998. http://dx.doi.org/10.1007/978-3-642-88310-1_3.

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Conference papers on the topic "Structure elucidation"

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Neudert, Reinhard. "Computer-assisted structure elucidation based on spectroscopy." In The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47780.

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Eid, Mostafa, B. Aryal, Laure Bourgeois, David R. Clarke, and Philip N. H. Nakashima. "Structure Elucidation of (ZnO)4In2O3 by Multislice- QCBED." In 13th Asia Pacific Microscopy Congress 2025. ScienceOpen, 2025. https://doi.org/10.14293/apmc13-2025-0166.

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Sasaki, Shin-ichi, and Kimito Funatsu. "RECENT ADVANCES IN THE AUTOMATED STRUCTURE ELUCIDATION SYSTEM - CHEMICS." In Data For Discovery. Begellhouse, 2023. http://dx.doi.org/10.1615/1-56700-002-9.210.

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Macedo, M. A. V., J. A. M. Pereira, Floyd D. McDaniel, and Barney L. Doyle. "Unidimensional Kinematics as a Tool for Molecular Structure Elucidation." In APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twentieth International Conference. AIP, 2009. http://dx.doi.org/10.1063/1.3120024.

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Garrett, Simon J. "Elucidation of adsorbate structure and dynamics from photofragment angular distributions." In Optoelectronics and High-Power Lasers & Applications, edited by Hai-Lung Dai and Hans-Joachim Freund. SPIE, 1998. http://dx.doi.org/10.1117/12.307137.

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Maekawa, Y., Y. Shibuta, and T. Sakata. "Elucidation of semiconductor / bio-interface structure by molecular dynamics simulation." In 2014 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2014. http://dx.doi.org/10.7567/ssdm.2014.d-3-2.

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Koganei, Reiko, Shigemasa Ando, Qinzhong Shi, and Ichiro Hagiwara. "The Elucidation of Mechanism of Local Sound Pressure Increase Phenomenon." In ASME/JSME 2004 Pressure Vessels and Piping Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/pvp2004-2764.

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Payloads of satellite are exposed on the severe acoustic environment at the process of lift-off and supersonic zone of a launcher. This acoustic environment excites the payload in high pressure and broad frequency band of random acoustical excitation, which may cause serious damage to the structures or instruments of the spacecraft inside. Space instruments are designed and verified to the acoustic environment by ground reverberant acoustic chamber in order to specify random vibration level at component interface and to verify the payloads are working in function and the structure does not hav
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Sobczak, Ronald L., and M. M. Matthews. "An expert system for chemical structure elucidation implemented on a blackboard." In the third international conference. ACM Press, 1990. http://dx.doi.org/10.1145/98784.98801.

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Yamazaki, Keiko, Fujiko Abe, and Ichiro Hagiwara. "Mathematical Elucidation of the Traditional Japanese Fan Focusing on Its Structure." In ASME 2021 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/detc2021-68773.

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Abstract The Japanese traditional fan, which is a form of origami originating in Japan with a folding culture, has a variety of three-dimensional expression that differs from two-dimensional expression. The image painted on the fan deforms when the fan is folded. In this study, we create a digital fan model for clarifying the deformation on the fan face according to parameters such as length of the bamboo bones. We then validate the digital model with an actual fan. Furthermore, we obtain the original plan view from images of the folded fan as a reverse problem. Because folding fans are made o
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Maaz, Mohamed, Judit Hohmann, and Andrea Vasas. "Isolation and structure elucidation of compounds from Euphorbia systyloides." In Symposium of Young Researchers on Pharmacognosy. Department of Pharmacognosy, University of Szeged, Faculty of Pharmacy, 2024. http://dx.doi.org/10.14232/syrpharmacognosy.2024.a8.

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Reports on the topic "Structure elucidation"

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Aghazadeh, Behzad, and Michael K. Rosen. Structure Elucidation of the Rho-GTPhase Activating DH-Homology Domain. Defense Technical Information Center, 2000. http://dx.doi.org/10.21236/ada393361.

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Hatch, Duane M. synthesis of selenium- and tellurium-containing tryptophan analogs for the elucidation of protein structure and function. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1209470.

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Gurevitz, Michael, Michael E. Adams, Boaz Shaanan, et al. Interacting Domains of Anti-Insect Scorpion Toxins and their Sodium Channel Binding Sites: Structure, Cooperative Interactions with Agrochemicals, and Application. United States Department of Agriculture, 2001. http://dx.doi.org/10.32747/2001.7585190.bard.

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Integrated pest management in modern crop protection may combine chemical and biological insecticides, particularly due to the risks to the environment and livestock arising from the massive use of non-selective chemicals. Thus, there is a need for safer alternatives, which target insects more specifically. Scorpions produce anti-insect selective polypeptide toxins that are biodegradable and non-toxic to warm-blooded animals. Therefore, integration of these substances into insect pest control strategies is of major importance. Moreover, clarification of the molecular basis of this selectivity
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Morphett, Jane, Alexandra Whittaker, Amy Reichelt, and Mark Hutchinson. Perineuronal net structure as a non-cellular mechanism of affective state, a scoping review. INPLASY - International Platform of Registered Systematic Review and Meta-analysis Protocols, 2021. http://dx.doi.org/10.37766/inplasy2021.8.0075.

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Is the perineuronal net structure within emotional processing brain regions associated with changes in affective state? The objective of this scoping review is to bring together the literature on human and animal studies which have measured perineuronal net structure in brain regions associated with emotional processing (such as but not limited to amygdala, hippocampus and prefrontal cortex). Perineuronal nets are a specialised form of condensed extracellular matrix that enwrap and protect neurons (Suttkus et al., 2016), regulate synaptic plasticity (Celio and Blumcke, 1994) and ion homeostasi
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Gurevitz, Michael, William A. Catterall, and Dalia Gordon. face of interaction of anti-insect selective toxins with receptor site-3 on voltage-gated sodium channels as a platform for design of novel selective insecticides. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7699857.bard.

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Voltage-gated sodium channels (Navs) play a pivotal role in excitability and are a prime target of insecticides like pyrethroids. Yet, these insecticides are non-specific due to conservation of Navs in animals, raising risks to the environment and humans. Moreover, insecticide overuse leads to resistance buildup among insect pests, which increases misuse and risks. This sad reality demands novel, more selective, insect killers whose alternative use would avoid or reduce this pressure. As highly selective insect toxins exist in venomous animals, why not exploit this gift of nature and harness t
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Winans, R. E. ,., Y. Kim, J. E. Hunt, and R. L. McBeth. Structural elucidation of Argonne premium coals: Molecular weights, heteroatom distributions and linkages between clusters. Office of Scientific and Technical Information (OSTI), 1995. http://dx.doi.org/10.2172/206361.

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Chunsrivirot, Surasak. Elucidation of the structural and molecular properties of levan oligosaccharides of various chain lengths. Faculty of Science, Chulalongkorn University, 2017. https://doi.org/10.58837/chula.res.2017.20.

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VanderGheynst, Jean, Michael Raviv, Jim Stapleton, and Dror Minz. Effect of Combined Solarization and in Solum Compost Decomposition on Soil Health. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7594388.bard.

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In soil solarization, moist soil is covered with a transparent plastic film, resulting in passive solar heating which inactivates soil-borne pathogen/weed propagules. Although solarization is an effective alternative to soil fumigation and chemical pesticide application, it is not widely used due to its long duration, which coincides with the growing season of some crops, thereby causing a loss of income. The basis of this project was that solarization of amended soil would be utilized more widely if growers could adopt the practice without losing production. In this research we examined three
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Rafaeli, Ada, Russell Jurenka, and Chris Sander. Molecular characterisation of PBAN-receptors: a basis for the development and screening of antagonists against Pheromone biosynthesis in moth pest species. United States Department of Agriculture, 2008. http://dx.doi.org/10.32747/2008.7695862.bard.

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The original objectives of the approved proposal included: (a) The determination of species- and tissue-specificity of the PBAN-R; (b) the elucidation of the role of juvenile hormone in gene regulation of the PBAN-R; (c) the identificationof the ligand binding domains in the PBAN-R and (d) the development of efficient screening assays in order to screen potential antagonists that will block the PBAN-R. Background to the topic: Moths constitute one of the major groups of pest insects in agriculture and their reproductive behavior is dependent on chemical communication. Sex-pheromone blends are
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Meirovitch, Hagai. New theoretical approach for elucidating the solution structure of peptides from NMR data. Final report on DOE Grant DE-FG02-97ER62490. Office of Scientific and Technical Information (OSTI), 2002. http://dx.doi.org/10.2172/771251.

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