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Journal articles on the topic 'Chemical structure'

Author: Grafiati

Published: 4 June 2021

Last updated: 29 July 2024

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1

Kovalskyi, Yaroslav, Volodymyr Dutka, Galyna Marshalok, Natalya Vytrykush, and Yosyp Yatchyshyn. "Quantum-Chemical Analysis of α-Alkylacroleins Structure." Chemistry & Chemical Technology 7, no. 1 (March 10, 2013): 1–4. http://dx.doi.org/10.23939/chcht07.01.001.

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2

Osadchuk, T. V., O. V. Shybyryn, and V. K. Kibirev. "Chemical structure and properties of low-molecular furin inhibitors." Ukrainian Biochemical Journal 88, no. 6 (December 14, 2016): 5–25. http://dx.doi.org/10.15407/ubj88.06.005.

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3

Lenz, Stephan, Johannes Birkenstock, Lennart A. Fischer, Willi Schüller, Hartmut Schneider, and Reinhard X. Fischer. "Natural mullites: chemical composition, crystal structure, and optical properties." European Journal of Mineralogy 31, no. 2 (June 7, 2019): 353–67. http://dx.doi.org/10.1127/ejm/2019/0031-2812.

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4

Barsky, Vadim, Gennady Vlasov, and Andriy Rudnitsky. "Composition and Structure of Coal Organic Mass. 3. Dinamics of Coal Chemical Structure During Metamorphism." Chemistry & Chemical Technology 5, no. 3 (September 15, 2011): 285–90. http://dx.doi.org/10.23939/chcht05.03.285.

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5

Opanasyuk, A. S. "The structure, phase and chemical composition of CZTSe thin films." Functional Materials 21, no. 2 (June 30, 2014): 164–70. http://dx.doi.org/10.15407/fm21.02.164.

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6

Paryanto, Paryanto, Sunu Herwi Pranolo, Ari Diana Susanti, Kristina Ratna Dewi, and Meydiana Rossari. "Chemical Structure of Mangrove Species Rhizophora stylosa as Natural Dyes." METANA 16, no. 1 (June 7, 2020): 33–38. http://dx.doi.org/10.14710/metana.v16i1.30417.

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Textile dyes are divided into two types, natural dyes and synthetic dyes. Natural dyes commonly made from extraction. Extraction is a process in which one or more components are separated selectively from a liquid or solid mixture, the feed, by means of a liquid immiscible solvent. Extraction can be classified into two group, liquid extraction and solid-liquid extraction. Solvents that are usually used in the extraction of natural dyes are aquades and ethanol. The purpose of this research was to determine the chemical structure, especially tannin in natural dyes from mangrove species Rhizophora stylosa through several samples testing natural dyes. Rhizophora stylosa that have been extracted and evaporated will conducted several tests to obtain chemical structures in natural dyes and yield of tannin in natural dyes. Tests carried out include testing FT-IR, and HPLC. Based on FT-IR analysis, the extraction of Rhizophora stylosa containing tannin indicated by the presence of hydroxyl (O-H) in the area of 3385.36 cm-1, aromatic (C-H) in the area of 1365.53 cm-1, carbonyl (C=O) in the area 1646.36 cm-1, esters (C-O) in the area 1217.30 cm-1. While tannin content obtained from the analysis of HPLC were 6.087 ppm.

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7

Perchiazzi, Natale, Ulf Hålenius, Pietro Vignola, and Nicola Demitri. "Gabrielsonite revisited: crystal-structure determination and redefinition of chemical formula." European Journal of Mineralogy 30, no. 6 (December 20, 2018): 1173–80. http://dx.doi.org/10.1127/ejm/2018/0030-2794.

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8

Sharp, Paul M., Matthew S. Dyer, George R. Darling, John B. Claridge, and Matthew J. Rosseinsky. "Chemically directed structure evolution for crystal structure prediction." Physical Chemistry Chemical Physics 22, no. 32 (2020): 18205–18. http://dx.doi.org/10.1039/d0cp02206c.

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The chemically directed structure evolution method uses chemical models to quantify the environment of atoms and vacancy sites in a crystal structure with that information used to inform how to modify the structure for crystal structure prediction.

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9

Masek, Brian B., Lingling Shen, Karl M. Smith, and Robert S. Pearlman. "Sharing Chemical Information without Sharing Chemical Structure." Journal of Chemical Information and Modeling 48, no. 2 (February 2008): 256–61. http://dx.doi.org/10.1021/ci600383v.

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10

Swan, G. A. "CHEMICAL STRUCTURE OF MELANINS." Annals of the New York Academy of Sciences 100, no. 2 (December 15, 2006): 1005–19. http://dx.doi.org/10.1111/j.1749-6632.1963.tb42947.x.

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11

King, R. B. "Chemical Structure and Superconductivity." Journal of Chemical Information and Computer Sciences 39, no. 2 (March 1999): 180–91. http://dx.doi.org/10.1021/ci980050b.

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12

Rayner, J. D. "The chemical structure association." Chemometrics and Intelligent Laboratory Systems 1, no. 1 (November 1986): 15–16. http://dx.doi.org/10.1016/0169-7439(86)80019-3.

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13

Müller, Jürgen. "Chemical structure of aerosols." Journal of Aerosol Science 19, no. 7 (January 1988): 1161–64. http://dx.doi.org/10.1016/0021-8502(88)90126-7.

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14

Bhardwaj, Rajni Miglani. "Chemical structure of paritaprevir." Acta Crystallographica Section A Foundations and Advances 79, a2 (August 22, 2023): C281. http://dx.doi.org/10.1107/s2053273323093324.

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15

Chen, Shu-Bo, Abdul Rauf, Muhammad Ishtiaq, Muhammad Naeem, and Adnan Aslam. "On ve-degree- and ev-degree-based topological properties of crystallographic structure of cuprite Cu2O." Open Chemistry 19, no. 1 (January 1, 2021): 576–85. http://dx.doi.org/10.1515/chem-2021-0051.

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Abstract In the study of chemical graph theory, an enormous number of research analyses have confirmed that the characteristics of chemicals have a nearby connection with their atomic structure. Topological indices were the critical tools for the analysis of these chemical substances to consider the essential topology of chemical structures. Topological descriptors are the significant numerical quantities or invariant in the fields of chemical graph theory. In this study, we have studied the crystal structure of copper oxide ( Cu 2 O {{\rm{Cu}}}_{2}{\rm{O}} ) chemical graph, and further, we have calculated the ev-degree- and ve-degree-based topological indices of copper oxide chemical graph. This kind of study may be useful for understanding the atomic mechanisms of corrosion and stress–corrosion cracking of copper.

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16

Pieczka, Adam. "Modelling of some structural parameters of tourmalines on the basis of their chemical composition. I. Ordered structure model." European Journal of Mineralogy 12, no. 3 (May 31, 2000): 589–96. http://dx.doi.org/10.1127/0935-1221/2000/0012-0589.

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17

Javaid, Muhammad, and Muhammad Imran. "Editorial: Topological investigations of chemical networks." Main Group Metal Chemistry 44, no. 1 (January 1, 2021): 267–69. http://dx.doi.org/10.1515/mgmc-2021-0030.

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Abstract The topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical chemistry since the pioneering work of famous chemist Harry Wiener in 1947. However, in recent years, their capability and popularity has increased significantly because of the findings of the different physical and chemical investigations in the various chemical networks and the structures arising from the drug designs. In additions, TIs are also frequently used to study the quantitative structure property relationships (QSPRs) and quantitative structure activity relationships (QSARs) models which correlate the chemical structures with their physio-chemical properties and biological activities in a dataset of chemicals. These models are very important and useful for the research community working in the wider area of cheminformatics which is an interdisciplinary field combining mathematics, chemistry, and information science. The aim of this editorial is to arrange new methods, techniques, models, and algorithms to study the various theoretical and computational aspects of the different types of these topological indices for the various molecular structures.

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18

Sokolova, Elena Cámara, Frank C. Hawthorne, and Yassir Abdu. "From structure topology to chemical composition. VII. Titanium silicates: the crystal structure and crystal chemistry of jinshajiangite." European Journal of Mineralogy 21, no. 4 (August 31, 2009): 871–83. http://dx.doi.org/10.1127/0935-1221/2009/0021-1945.

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19

Yirik, Mehmet Aziz, and Christoph Steinbeck. "Chemical graph generators." PLOS Computational Biology 17, no. 1 (January 5, 2021): e1008504. http://dx.doi.org/10.1371/journal.pcbi.1008504.

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Chemical graph generators are software packages to generate computer representations of chemical structures adhering to certain boundary conditions. Their development is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE). CASE systems again have regained interest for the structure elucidation of unknowns in computational metabolomics, a current area of computational biology.

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20

Ehlers, E. M., and S. H. von Solms. "Using random context structure grammars to represent chemical structures." Information Processing Letters 30, no. 3 (February 1989): 159–66. http://dx.doi.org/10.1016/0020-0190(89)90135-x.

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21

Shablovsky, Ya О. "Special Spatial Symmetry of Mineral Structures." МИНЕРАЛОГИЯ (MINERALOGY) 5 (October 27, 2019): 3–10. http://dx.doi.org/10.35597/2313-545x-2019-5-3-3-10.

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Formation of mineral structures is afected both by energetic and crystal chemical barriers: limitations of possible choice of positions of structural units in a crystal lattice caused by features of its Fedorov group. The correspondence of structures of thermodynamically instable mineral phases to priority (most likely) crystal chemical types provides for their kinetic stability. At the same time, crystallization of rare structure is possible only upon conditions of its energetic stability, because the rarity of the Fedorov group indicates its low «crystal chemical feasibility» of the corresponding structure. The phenomenon of rare Fedorov groups is stable, since it is caused by fundamental crystal chemical reasons. It is most striking in a framework structure of a crystal lattice, because the mineral phases can contain 24 various types of 3D-periodical framework structures. The minerals with framework structure can exhibit the efect of supersymmetry, i.e., stability of the structure with chemically identical but symmetrically independent structural units. This efect may be typical of framework structures corresponding to Fedorov groups P42m, P4m2, I42m, I4m2, P222, C222, F222, I222, P23, F23, I23, P432, P4232, F432, P422, I422, P4222, P6222 and P6422. In particular, this structural efect is typical of cubic modifcation of lazurite with Fedorov group P23.

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22

Lahaye, Marc, and Cyrille Rochas. "Chemical structure and physico-chemical properties of agar." Hydrobiologia 221, no. 1 (August 1991): 137–48. http://dx.doi.org/10.1007/bf00028370.

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23

Chen, Lei, Jing Yang, Mingyue Zheng, Xiangyin Kong, Tao Huang, and Yu-Dong Cai. "The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer." PLOS ONE 10, no. 6 (June 5, 2015): e0128696. http://dx.doi.org/10.1371/journal.pone.0128696.

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24

Riecken, Jan F., Adel F. Al Alam, Bernard Chevalier, Samir F. Matar, and Rainer Pöttgen. "Structure and Chemical Bonding of PrRuSn." Zeitschrift für Naturforschung B 63, no. 9 (September 1, 2008): 1062–68. http://dx.doi.org/10.1515/znb-2008-0908.

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The new ternary stannide PrRuSn was synthesized from the elements via arc-melting. PrRuSn is isopointal to the orthorhombic TiNiSi-type structure, space group Pnma. The structure was characterized by X-ray powder and single crystal diffraction: a = 761.7(2), b = 483.9(2) and c = 730.3(3) pm, wR2 = 0.0386, 433 F2 values, 20 variables. The ruthenium and tin atoms in PrRuSn build up a three-dimensional [RuSn] polyanionic network with Ru-Sn distances in the range 268 - 274 pm. The praseodymium atoms fill channels within the polyanion. They bind to the network via short Pr-Ru distances of 301 and 302 pm. Electronic structure calculations on PrRuSn and isopointal PrPdSn underline these features and reveal strong T-Sn (T = Ru, Pd) interactions within both solid state structures.

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25

Maha F. Abbass, Salah Al-Shukri, and Ahmed A. Ahmed. "Synthesis and full characterizations of poly acrylate cyclotriphosphazene and blended it with PMMA." GSC Advanced Research and Reviews 10, no. 3 (March 30, 2022): 088–97. http://dx.doi.org/10.30574/gscarr.2022.10.3.0071.

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Poly acrylate cyclotriphosphazene (poly PN-A) was successfully synthesized by polymerization reaction using benzoyl peroxide as an initiator in dry 1,4-dioxane to form poly PN-A. After that the blended polymer with poly(methyl methacrylate) (PMMA) were prepared for synthesized polymer (poly PN-A) by using ratio 10:1 per weight of synthesized polymer to PMMA hence they were mixed using dioxane. Many techniques were used to characterize the chemical structures of synthesized material. Infrared spectroscopy was used to identify the functional groups within the chemical structure of the compounds. Three types of nuclear magnetic resonance (1H NMR, 13C NMR, and 31P NMR) were used to confirm the chemicals structures of the products. 31P NMR was used because all units and their polymers have phosphine atoms in their chemical structures. Thus, all used spectra confirmed the chemical structure of synthesised materials with high percentage of purity

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26

Katritzky, Alan R., Dimitar A. Dobchev, and Mati Karelson. "Physical, Chemical, and Technological Property Correlation with Chemical Structure: The Potential of QSPR." Zeitschrift für Naturforschung B 61, no. 4 (April 1, 2006): 373–84. http://dx.doi.org/10.1515/znb-2006-0403.

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Correlations of simple and complex physical, and chemical, biological and technological properties with chemical structure are reviewed. When an adequate training set of structures and experimentally determined property values are available, the equations produced enable the prediction of these properties of molecules as yet synthesized or indeed as yet unknown. Frequently they also offer considerable insights into the manner in which the structure controls the property. Many further applications of this methodology can be anticipated

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27

Pasch, Harald, and Issam S. Dairanieh. "Investigations of the chemical structure of sulfonated amine-formaldehyde resins. 3. Intermediate chemical structures." Macromolecules 24, no. 3 (May 1991): 671–77. http://dx.doi.org/10.1021/ma00003a008.

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28

SAKAWA, Mitsuhiro. "Evaluation of Coal Chemical Structure." Tetsu-to-Hagane 82, no. 5 (1996): 347–52. http://dx.doi.org/10.2355/tetsutohagane1955.82.5_347.

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29

Sokolowski, A., A. Piasecki, and B. Burczyk. "Chemical Structure and Surface Activity." Tenside Surfactants Detergents 30, no. 6 (December 1, 1993): 417–21. http://dx.doi.org/10.1515/tsd-1993-300618.

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30

Sokotowski, A. "Chemical Structure and Surface Activity." Tenside Surfactants Detergents 27, no. 2 (March 1, 1990): 103–7. http://dx.doi.org/10.1515/tsd-1990-270211.

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31

Piasecki, A. "Chemical Structure and Surface Activity." Tenside Surfactants Detergents 22, no. 5 (September 1, 1985): 239–43. http://dx.doi.org/10.1515/tsd-1985-220510.

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32

Li, Hongzhong. "Structure Issue in Chemical Engineering." JOURNAL OF ENGINEERING STUDIES 5, no. 1 (December 6, 2013): 12–22. http://dx.doi.org/10.3724/sp.j.1224.2013.00012.

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33

Cheun, William L. "The Chemical Structure of Melanin." Pigment Cell Research 17, no. 4 (August 2004): 422–23. http://dx.doi.org/10.1111/j.1600-0749.2004.00165_1.x.

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34

MATTINGLY, JAMES. "Gauge Theory and Chemical Structure." Annals of the New York Academy of Sciences 988, no. 1 (May 2003): 193–202. http://dx.doi.org/10.1111/j.1749-6632.2003.tb06098.x.

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35

Randić, Milan. "On Characterization of Chemical Structure." Journal of Chemical Information and Computer Sciences 37, no. 4 (July 1997): 672–87. http://dx.doi.org/10.1021/ci960174t.

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36

Spek, Anthony L. "Structure validation in chemical crystallography." Acta Crystallographica Section D Biological Crystallography 65, no. 2 (January 20, 2009): 148–55. http://dx.doi.org/10.1107/s090744490804362x.

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37

Randić, Milan. "Chemical structure—What is "she"?" Journal of Chemical Education 69, no. 9 (September 1992): 713. http://dx.doi.org/10.1021/ed069p713.

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38

Munk, Morton E., Margit Farkas, Alan H. Lipkis, and Bradley D. Christie. "Computer-assisted chemical structure analysis." Mikrochimica Acta 89, no. 1-6 (January 1986): 199–215. http://dx.doi.org/10.1007/bf01207317.

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39

Sokołowski, Adam. "Chemical structure and surface activity." Journal of Colloid and Interface Science 147, no. 2 (December 1991): 496–507. http://dx.doi.org/10.1016/0021-9797(91)90183-9.

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40

Ivanov, Al. "The Structure of Chemical Particles." Journal of Mathematical Chemistry 42, no. 2 (May 24, 2006): 141–52. http://dx.doi.org/10.1007/s10910-005-9044-y.

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41

Komiyama, H., A. Kato, H. Aimi, J. Ogihara, and K. Shimizu. "Chemical structure of kenaf xylan." Carbohydrate Polymers 72, no. 4 (June 2008): 638–45. http://dx.doi.org/10.1016/j.carbpol.2007.10.003.

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42

Randić, Milan. "The nature of chemical structure." Journal of Mathematical Chemistry 4, no. 1 (December 1990): 157–84. http://dx.doi.org/10.1007/bf01170011.

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43

Maggiora, GeraldM. "Three-dimensional Chemical Structure Handling." Computers & Chemistry 16, no. 3 (July 1992): 270. http://dx.doi.org/10.1016/0097-8485(92)80016-s.

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44

Babich, M. W. "Electronic structure and chemical reactivity." Annals of Nuclear Energy 16, no. 11 (January 1989): 612. http://dx.doi.org/10.1016/0306-4549(89)90018-2.

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45

Imoto, M., S. Kusumoto, T. Shiba, E. Th Rietschel, C. Galanos, and O. Lüderitz. "Chemical structure of lipid A." Tetrahedron Letters 26, no. 7 (January 1985): 907–8. http://dx.doi.org/10.1016/s0040-4039(00)61961-5.

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46

Ryan, Christopher M., Angela Mehlert, Julia M. Richardson, Michael A. J. Ferguson, and Patricia J. Johnson. "Chemical Structure ofTrichomonas vaginalisSurface Lipoglycan." Journal of Biological Chemistry 286, no. 47 (September 7, 2011): 40494–508. http://dx.doi.org/10.1074/jbc.m111.280578.

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47

Piasecki, A., and B. Burczyk. "Chemical structure and surface activity." Colloid & Polymer Science 263, no. 12 (December 1985): 997–1003. http://dx.doi.org/10.1007/bf01410993.

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48

Bridgwater, J. "Putting structure into chemical engineering." Chemical Engineering Science 51, no. 23 (December 1996): iii. http://dx.doi.org/10.1016/0009-2509(96)88241-8.

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49

Roland, C. M., and K. L. Ngai. "Constraint dynamics and chemical structure." Journal of Non-Crystalline Solids 172-174 (September 1994): 868–75. http://dx.doi.org/10.1016/0022-3093(94)90591-6.

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50

Bulou, H., A. Barbier, R. Belkhou, C. Guillot, B. Carrière, and J. P. Deville. "Chemical structure of the interface." Surface Science 352-354 (May 1996): 828–32. http://dx.doi.org/10.1016/0039-6028(95)01284-2.

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