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Journal articles on the topic 'Chemical structure – tables'

Author: Grafiati

Published: 28 July 2024

Last updated: 31 July 2025

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1

Cooke, Helen, and Damon D. Ridley. "The Challenges with Substance Databases and Structure Search Engines." Australian Journal of Chemistry 57, no. 5 (2004): 387. http://dx.doi.org/10.1071/ch03315.

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Structure connection tables, which are commonly used for the representation of chemical structures in electronic databases, are valuable for substances where specific valence bond structures are known or can be drawn. How-ever there are many classes of substances (for example alloys, catenanes, polymers, or salts) which cannot be fully represented by valence bond structures. There are also issues of definition (such as when a substance is a co-ordination compound, or hydrate, or salt), and of bonding types (resonance, donor complexes, π-complexes). Producers of chemical substance databases may

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Gaum, Wilma G., J. H. Giliomee, and K. L. Pringle. "Resistance of some rose cultivars to the western flower thrips, Frankliniella occidentalis (Thysanoptera: Thripidae)." Bulletin of Entomological Research 84, no. 4 (1994): 487–92. http://dx.doi.org/10.1017/s0007485300032715.

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AbstractSome rose cultivars such as City of Belfast are more resistant to the western flower thrips, Frankliniella occidentalis (Pergande) than others. Data from life tables and behavioural studies indicate that the reason for resistance may be physiological-chemical as well as the physical structure and colour of the flower. Some rose odours repelled F. occidentalis.

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Strokov, Igor I., and Konstantin S. Lebedev. "Computer Aided Method for Chemical Structure Elucidation Using Spectral Databases and13C NMR Correlation Tables." Journal of Chemical Information and Computer Sciences 39, no. 4 (1999): 659–65. http://dx.doi.org/10.1021/ci980184p.

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Sofińska, Kamila, Natalia Wilkosz, Marek Szymoński, and Ewelina Lipiec. "Molecular Spectroscopic Markers of DNA Damage." Molecules 25, no. 3 (2020): 561. http://dx.doi.org/10.3390/molecules25030561.

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Every cell in a living organism is constantly exposed to physical and chemical factors which damage the molecular structure of proteins, lipids, and nucleic acids. Cellular DNA lesions are the most dangerous because the genetic information, critical for the identity and function of each eukaryotic cell, is stored in the DNA. In this review, we describe spectroscopic markers of DNA damage, which can be detected by infrared, Raman, surface-enhanced Raman, and tip-enhanced Raman spectroscopies, using data acquired from DNA solutions and mammalian cells. Various physical and chemical DNA damaging

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Mormann, Werner, Karl-Heinz Hellwich, Jiazhong Chen, and Edward S. Wilks. "Preferred names of constitutional units for use in structure-based names of polymers (IUPAC Recommendations 2016)." Pure and Applied Chemistry 89, no. 11 (2017): 1695–736. http://dx.doi.org/10.1515/pac-2016-0502.

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AbstractA list of constitutional units (CU) used for naming polymers according to IUPAC nomenclature rules is provided. This list contains CUs of commercial and well-known polymers, as well as CUs which have been used in polymer-nomenclature-related IUPAC documents. A preferred name is provided for each constitutional unit. Other acceptable names and names which must not be used because they are outdated or incorrect, although they may have been correct in the past or in a different context, are also listed. A second table contains names of common polymers: structure-based, source-based, and r

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Cooke-Fox, D. I., G. H. Kirby, M. R. Lord, and J. D. Rayner. "Computer translation of IUPAC systematic organic chemical nomenclature. 4. Concise connection tables to structure diagrams." Journal of Chemical Information and Modeling 30, no. 2 (1990): 122–27. http://dx.doi.org/10.1021/ci00066a004.

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7

Latypov, A. I., A. N. Garaeva, E. A. Korolev, and Yu N. Kolchina. "Zonality of the Weathering Profile of the Middle Permian Clays in the Eastern Zakamye Region." Вестник Пермского университета. Геология 23, no. 2 (2024): 125–35. http://dx.doi.org/10.17072/psu.geol.23.2.125.

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In the article, the main patterns of forming of eluvial clays in the territory of the Eastern Zakamye is discribed. For clay strata, the zonal character of the structure, physico-mechanical properties, mineral and chemical composition has been established in accordance with the degree of their hypergenic alteration. As a result of laboratory studies, information on the elemental composition of clays and its changes during weathering process was obtained. Based on the systematization and analysis of the obtained materials, regional tables of the mechanical characteristics of clays of various we

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Gupta-Ostermann, Disha, Yoichiro Hirose, Takenao Odagami, Hiroyuki Kouji, and Jürgen Bajorath. "Follow-up: Prospective compound design using the ‘SAR Matrix’ method and matrix-derived conditional probabilities of activity." F1000Research 4 (March 23, 2015): 75. http://dx.doi.org/10.12688/f1000research.6271.1.

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In a previous Method Article, we have presented the ‘Structure-Activity Relationship (SAR) Matrix’ (SARM) approach. The SARM methodology is designed to systematically extract structurally related compound series from screening or chemical optimization data and organize these series and associated SAR information in matrices reminiscent of R-group tables. SARM calculations also yield many virtual candidate compounds that form a “chemical space envelope” around related series. To further extend the SARM approach, different methods are developed to predict the activity of virtual compounds. In th

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Gupta-Ostermann, Disha, Yoichiro Hirose, Takenao Odagami, Hiroyuki Kouji, and Jürgen Bajorath. "Follow-up: Prospective compound design using the ‘SAR Matrix’ method and matrix-derived conditional probabilities of activity." F1000Research 4 (April 15, 2015): 75. http://dx.doi.org/10.12688/f1000research.6271.2.

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In a previous Method Article, we have presented the ‘Structure-Activity Relationship (SAR) Matrix’ (SARM) approach. The SARM methodology is designed to systematically extract structurally related compound series from screening or chemical optimization data and organize these series and associated SAR information in matrices reminiscent of R-group tables. SARM calculations also yield many virtual candidate compounds that form a “chemical space envelope” around related series. To further extend the SARM approach, different methods are developed to predict the activity of virtual compounds. In th

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Zhantlessova, Sirina D., Irina S. Savitskaya, Zulkhair A. Mansurov, et al. "Morphological and Physicochemical Properties of Nanostructured Cellulose Obtained through Chemical and Biological Methods." Vestnik Tomskogo gosudarstvennogo universiteta. Biologiya, no. 58 (2022): 55–70. http://dx.doi.org/10.17223/19988591/58/3.

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The authors obtained samples of chemically pure, crystalline, micro-and nanostructured cellulose of various modifications using two approaches - biological and chemical. They studied these cellulose samples via scanning electron microscopy (SEM), thermogravimetric analysis, and infrared (IR) spectroscopy. To prepare cellulose microcrystals, they used the mild acid treatment method based on glycerol-acid mixtures for treating cotton fibers. They showed that the chemical processing of cotton fiber ensured its dispersion with generation of microcrystals surrounded by a partially preserved amorpho

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Hui-Bon-Hoa, A. "Stellar models with self-consistent Rosseland opacities." Astronomy & Astrophysics 646 (February 2021): L6. http://dx.doi.org/10.1051/0004-6361/202040095.

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Context. The building of a stellar structure requires knowing the Rosseland mean opacity at each layer of the model. This mean opacity is very often interpolated in pre-computed tables due to the overwhelming time to compute it from monochromatic cross sections. The main drawback to using tables is that the opacities can be inconsistent with the actual local chemical composition, for instance in the regions of the star where nucleosynthesis occurs. Aims. We study the effects of self-consistent Rosseland mean opacity calculations on the stellar structure and evolution, in comparison with models

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Tag El Din, El Sayed M., Faisal Sultan, Muhammad Usman Ghani, et al. "Some Novel Results Involving Prototypical Computation of Zagreb Polynomials and Indices for SiO4 Embedded in a Chain of Silicates." Molecules 28, no. 1 (2022): 201. http://dx.doi.org/10.3390/molecules28010201.

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A topological index as a graph parameter was obtained mathematically from the graph’s topological structure. These indices are useful for measuring the various chemical characteristics of chemical compounds in the chemical graph theory. The number of atoms that surround an atom in the molecular structure of a chemical compound determines its valency. A significant number of valency-based molecular invariants have been proposed, which connect various physicochemical aspects of chemical compounds, such as vapour pressure, stability, elastic energy, and numerous others. Molecules are linked with

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Delaney, John S., Anne Mullaley, Graham W. Mullier, Graham J. Sexton, Robin Taylor, and Russell C. Viner. "Rapid construction of data tables for quantitative structure-activity relationship studies." Journal of Chemical Information and Modeling 33, no. 1 (1993): 174–78. http://dx.doi.org/10.1021/ci00011a026.

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Strokov, Igor I., and Konstantin S. Lebedev. "ChemInform Abstract: Computer Aided Method for Chemical Structure Elucidation Using Spectral Databases and 13C NMR Correlation Tables." ChemInform 30, no. 40 (2010): no. http://dx.doi.org/10.1002/chin.199940209.

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Wandtke, Claudia M., Matthias Weil, Jim Simpson, and Birger Dittrich. "Using invariom modelling to distinguish correct and incorrect central atoms in `duplicate structures' with neighbouring 3delements." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, no. 5 (2017): 794–804. http://dx.doi.org/10.1107/s2052520617010745.

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Modelling coordination compounds has been shown to be feasible using the invariom method; for the best fit to a given set of diffraction data, additional steps other than using lookup tables of scattering factors need to be carried out. Here such procedures are applied to a number of `duplicate structures', where structures of two or more supposedly different coordination complexes with identical ligand environments, but with different 3dmetal ions, were published. However, only one metal atom can be plausibly correct in these structures, and other spectroscopic data are unavailable. Using asp

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Langer, N., and M. Kiriakidis. "A systematic study of stellar models for C/O-rich Wolf-Rayet Stars." International Astronomical Union Colloquium 108 (1988): 92–91. http://dx.doi.org/10.1017/s0252921100093520.

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A grid of homogeneous stellar models for Wolf-Rayet stars in the mass range from 1 to 60 M⊙ has been computed. For each stellar mass, stars with eight different sets of chemical compositions — from pure helium stars with (Y,C,O)=(1,0,0) to extreme helium poor stars with (Y,C,O)=(0.02,0.11,0.87) — have been calculated in order to investigate the dependence of the stellar structure on the stellar mass and chemical composition. Modern input physics adapted to the exotic chemical composition of the Wolf-Rayet stars has been incorporated in the models, including effects of partial recombination of

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Jaśkowska, Jolanta, Przemysław Zaręba, Anna Drabczyk, et al. "New Pharmaceutical Salts of Trazodone." Molecules 26, no. 3 (2021): 769. http://dx.doi.org/10.3390/molecules26030769.

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New pharmaceutically acceptable salts of trazodone (trazodone hydrogen bromide and trazodone 1-hydroxy-2-naphthonic acid) for the treatment of central nervous system disorders are synthesized and described. Although trazodone salts are poorly crystalline, single-crystal X-ray diffraction data for trazodone 1-hydroxy-2-naphthonic acid were collected and analyzed as well as compared to the previously described crystal structure of commercially available trazodone hydrochloride. The powder samples of all new salts were characterized by Fourier transform infrared spectroscopy, X-ray diffraction an

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Fandi, Real, Faizah Qurrata Aini, and Zonalia Fitriza. "Analysis of the structure and content of the merdeka curriculum on green chemistry materials." Jurnal Pijar Mipa 18, no. 3 (2023): 349–56. http://dx.doi.org/10.29303/jpm.v18i3.4920.

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This research aims to describe the compatibility between the structure and content of Merdeka’s curriculum on green chemistry based on the revised Bloom's Taxonomy, Dave and Dyers' Taxonomy, and chemistry textbooks. This research is descriptive with a qualitative approach with a content structure analysis research design derived from the Model of Educational Reconstruction (MER). The data collection technique was carried out based on a literature study, while the data analysis technique was carried out based on the Milles and Huberman data analysis technique. The instruments used were standard

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19

Lawanya, T., M. Vidhya, A. Govindarajan, and E. Priyadarshini. "Effect of Heat Source on MHD Flow Through Permeable Structure under Chemical Reaction and Oscillatory Suction." International Journal of Heat and Technology 40, no. 1 (2022): 319–25. http://dx.doi.org/10.18280/ijht.400138.

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Magnetohydrodynamics (MHD) deals with the study of the magnetic properties and behaviour of electrically conducting fluids. In literature, researchers have studied. The study of MHD is widely applied in drawing of plastics and elastic sheets, metal and polymer expulsion forms, paper creation, cooling of metallic sheets, etc. Most of the previous researchers have studied only the concentration and velocity boundary layer profiles. However, the effect of heat sources using temperature boundary layer profiles is not studied. Therefore, in this work, an analysis of a convective flow of an electric

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Gerner, Ingrid, Gabriele Graetschel, Jürgen Kahl, and Eva Schlede. "Development of a Decision Support System for the Introduction of Alternative Methods into Local Irritancy/Corrosivity Testing Strategies. Development of a Relational Database." Alternatives to Laboratory Animals 28, no. 1 (2000): 11–28. http://dx.doi.org/10.1177/026119290002800106.

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For new chemical substances that are notified within the European Union, data sets have to be submitted to the National Competent Authorities. The data submitted have to demonstrate the physicochemical and toxic properties of the new chemical, such as solubility, partition coefficients and spectra, as well as acute toxic properties and the potential to cause local irritant or corrosive effects. In order to minimise testing for notification purposes (for example, animal testing), it is necessary to develop stepwise assessment procedures, including structure-activity considerations, alternative

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Javaid, Muhammad, Saira Javed, Saima Q. Memon, and Abdulaziz Mohammed Alanazi. "Forgotten Index of Generalized Operations on Graphs." Journal of Chemistry 2021 (May 3, 2021): 1–14. http://dx.doi.org/10.1155/2021/9971277.

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In theoretical chemistry, several distance-based, degree-based, and counting polynomial-related topological indices (TIs) are used to investigate the different chemical and structural properties of the molecular graphs. Furtula and Gutman redefined the F -index as the sum of cubes of degrees of the vertices of the molecular graphs to study the different properties of their structure-dependency. In this paper, we compute F -index of generalized sum graphs in terms of various TIs of their factor graphs, where generalized sum graphs are obtained by using four generalized subdivision-related opera

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22

Bodensteiner, Michael, Florian Meurer, and Christoph Hennig. "Anomalous dispersion - versatile and useful." Structural Dynamics 12, no. 2_Supplement (2025): A241. https://doi.org/10.1063/4.0000547.

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Many different applications of resonant scattering or anomalous dispersion have been reported in recent decades. When determining the X-ray structure of solids and small molecules in single crystals, it is usually only used to distinguish the absolute structure. To this day, almost exclusively tabulated values are used and the accuracy of these thirty-year-old tables is practically never questioned.[1] However, there is so much more to it than many people realize. Precisely due to the fact that the measured data have reached an unprecedented quality and at the same time quantum crystallographi

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Kelecom, A. "Use Of Calculated Carbon Chemical Shift Tables Of Saturated C-7 To C-Ll Sterol Side Chains For Structure Elucidation." Bulletin des Sociétés Chimiques Belges 89, no. 5 (2010): 343–52. http://dx.doi.org/10.1002/bscb.19800890504.

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Barančíková, G. "Changes of humic acids structure on selected key monitoring localities of arable soils." Plant, Soil and Environment 48, No. 1 (2011): 40–44. http://dx.doi.org/10.17221/4202-pse.

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Soil fertility is largely determined by the content and quality of soil organic matter. SlovakRepublic monitoring system includes evaluation of soil humus content, basic humic parameters and also chemical structure of humic acids (HA). Changes in humic acids structure on five selected key localities during monitoring period (1994&ndash;2000) are presented in this study. Among soil types, essentially between Chernozem and Planosol, in elemental analysis, optical parameter and 13C NMR parameters significant differences determined by Student&rsquo;s test were observed (Tables 2 and 3). Du

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Lopes, A. V. Brito, N. Emekwuru, and E. Abtahizadeh. "Flamelet generated manifold simulation of highly swirling spray combustion: Adoption of a mixed homogeneous reactor and inclusion of liquid-flame heat transfer." AIP Advances 12, no. 11 (2022): 115026. http://dx.doi.org/10.1063/5.0117614.

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We undertake the modeling of the combustion of highly swirling fuel sprays using the Flamelet-Generated-Manifold (FGM) combustion-chemistry-reduction technique, especially the use of adiabatic tables generated with non-premixed chemical reactors. Preceding investigations indicated that tables thus generated can present uncertainties when used for predicting the finite-rate phenomena and different flame modes, and these are important for better prediction of spray flames in gas turbines. Thus, to address these, we have adopted a mixed-homogeneous chemical reactor that is applicable to both pre-

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Shanmugapriya, M., R. Sundareswaran, and P. Senthil Kumar. "Heat and Mass Transfer Enhancement of MHD Hybrid Nanofluid Flow in the Presence of Activation Energy." International Journal of Chemical Engineering 2021 (August 24, 2021): 1–12. http://dx.doi.org/10.1155/2021/9473226.

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In this study, water is apprehended as conventional fluid with the suspension of two types of hybrid nanoparticles, namely, single-walled CNTs (SWCNTs) and multiwalled CNTs (MWCNTs). The influence of a magnetic field, thermal radiation, and activation energy with binary chemical reaction has been added to better examine the fine point of hybrid nanofluid flow. The mathematical structure regarding the physical model for hybrid nanofluid is established and then the similarity variables are induced to transmute the leading PDEs into nonlinear ODEs. These equations were solved using the shooting t

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Vieira, Tatiane F., Rúbia C. G. Corrêa, Rosely A. Peralta, Regina F. Peralta-Muniz-Moreira, Adelar Bracht, and Rosane M. Peralta. "An Overview of Structural Aspects and Health Beneficial Effects of Antioxidant Oligosaccharides." Current Pharmaceutical Design 26, no. 16 (2020): 1759–77. http://dx.doi.org/10.2174/1381612824666180517120642.

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Background: Non-digestible oligosaccharides are versatile sources of chemical diversity, well known for their prebiotic actions, found naturally in plants or produced by chemical or enzymatic synthesis or by hydrolysis of polysaccharides. Compared to polyphenols or even polysaccharides, the antioxidant potential of oligosaccharides is still unexplored. The aim of the present work was to provide an up-to-date, broad and critical contribution on the topic of antioxidant oligosaccharides. Methods: The search was performed by crossing the words oligosaccharides and antioxidant. Whenever possible,

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Datta, Mallika, Devarun Nath, Srijan Das, and Mainul Malitha. "Suitable stacking sequence of glass fibre reinforcements for specific application of composite using Taguchi design and finite element method." Journal of Industrial Textiles 52 (August 2022): 152808372211283. http://dx.doi.org/10.1177/15280837221128312.

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The effect of stacking sequence of the various forms of glass fibre reinforcement on unsaturated polyester resin composite subjected to tensile and flexural loading was investigated. The Taguchi statistical technique had been used to identify a sustainable stacking sequence with unidirectional glass filament structure, glass fibre chopped strand mat, and woven glass roving mesh as reinforcement. The study used top, middle, and bottom layer positions of the reinforcing material stack inside the composite as control factors for tensile strength, and as well as flip (turning the face of the sampl

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Buder, Sven, Karin Lind, Melissa K. Ness, et al. "The GALAH Survey: chemical tagging and chrono-chemodynamics of accreted halo stars with GALAH+ DR3 and Gaia eDR3." Monthly Notices of the Royal Astronomical Society 510, no. 2 (2021): 2407–36. http://dx.doi.org/10.1093/mnras/stab3504.

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ABSTRACT Since the advent of Gaia astrometry, it is possible to identify massive accreted systems within the Galaxy through their unique dynamical signatures. One such system, Gaia-Sausage-Enceladus (GSE), appears to be an early ‘building block’ given its virial mass $\gt 10^{10}\, \mathrm{M_\odot }$ at infall (z ∼ 1−3). In order to separate the progenitor population from the background stars, we investigate its chemical properties with up to 30 element abundances from the GALAH+ Survey Data Release 3 (DR3). To inform our choice of elements for purely chemically selecting accreted stars, we an

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Ibraheem, Muhammad, Meshari M. Aljohani, Muhammad Javaid, and Abdulaziz Mohammed Alanazi. "Forgotten Coindex for the Derived Sum Graphs under Cartesian Product." Journal of Chemistry 2021 (October 4, 2021): 1–13. http://dx.doi.org/10.1155/2021/3235068.

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A topological index (TI) is a molecular descriptor that is applied on a chemical structure to compute the associated numerical value which measures volume, density, boiling point, melting point, surface tension, or solubility of this structure. It is an efficient mathematical method in avoiding laboratory experiments and time-consuming. The forgotten coindex of a structure or (molecular) graph H is defined as the sum of the degrees of all the possible pairs of nonadjacent vertices in H . For D ∈ S , R , Q , T and the connected graph H , the derived graphs D H are obtained by applying the opera

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Sun, Yujun, Huaqi He, Qian Wang, Xiaoyan Yang, Shengjuan Jiang, and Daobing Wang. "A Review of Development and Utilization for Edible Fungal Polysaccharides: Extraction, Chemical Characteristics, and Bioactivities." Polymers 14, no. 20 (2022): 4454. http://dx.doi.org/10.3390/polym14204454.

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Edible fungi, commonly known as mushrooms, are precious medicinal and edible homologous gifts from nature to us. Because of their distinctive flavor and exceptional nutritional and medicinal value, they have been a frequent visitor to people’s dining tables and have become a hot star in the healthcare, pharmaceutical, and cosmetics industries. Edible fungal polysaccharides (EFPs) are an essential nutrient for edible fungi to exert bioactivity. They have attracted much attention because of their antioxidant, immunomodulatory, antitumor, hypoglycemic, and hypolipidemic bioactivities. As a result

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Tejada Arevalo, Roberto, Yubo Su, Ankan Sur, and Adam Burrows. "Equations of State, Thermodynamics, and Miscibility Curves for Jovian Planet and Giant Exoplanet Evolutionary Models." Astrophysical Journal Supplement Series 274, no. 2 (2024): 34. http://dx.doi.org/10.3847/1538-4365/ad6cd7.

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Abstract The equation of state of hydrogen–helium (H–He) mixtures plays a vital role in the evolution and structure of gas giant planets and exoplanets. Recent equations of state that account for H–He interactions, coupled with H–He immiscibility curves, can now produce more physical evolutionary models, such as accounting for helium rain with greater fidelity than in the past. In this work, we present a set of tools for planetary evolution that provides a Python interface for existing tables of useful thermodynamic quantities, state-of-the-art H–He equations of state, and pressure-dependent H

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О. E., Semenovskyi, and Mykhnian O. V. "Structure and volumetric hardness of materials." Metaloznavstvo ta obrobka metalìv 104, no. 4 (2022): 48–57. http://dx.doi.org/10.15407/mom2022.04.048.

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In mechanical engineering, the main parameters that determine the use of materials are their operational characteristics, which are determined by mechanical properties. The material must meet the specified parameters of strength, hardness, elasticity and viscosity. Only the method of determining the hardness of the material, in addition to physical methods, allows conducting research without making special samples without destroying the part. At the same time, the factor that the rest of the properties are indirectly related to the hardness parameter is taken into account. The classic definiti

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Pasternak, Jerzy, and Janusz Dobrzanski. "Properties of Welded Joints on Superheater Coils Made from New Generation High Alloy Martensitic Steels Connected to Austenitic Creep-Resisting Steels and Supper Alloy Grades, for Supercritical Parameters." Advanced Materials Research 278 (July 2011): 466–71. http://dx.doi.org/10.4028/www.scientific.net/amr.278.466.

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The continuously developing power generation sector, including boilers with supercritical parameters, requires applications of new creep-resistant steel grades for construction of boilers steam superheater components. Therefore, this paper contains selected information, results of the research and implementation process including: - evaluation, comparison of requested properties of base material and welded joints, such as tensile strength, impact strength and technological properties, - destructive examinations with evaluation of welded joints and HAZ structure and hardness distribution, - inf

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Hosseinnejad, Fatemeh, Abbas Ali Imani Fooladi, Forough Hafezi, Soroush Mohit Mafi, Afsaneh Amiri, and Mohammad Reza Nourani. "Modelling and Tissue Engineering of Three Layers of Calvarial Bone as a Biomimetic Scaffold." Journal of Biomimetics, Biomaterials and Tissue Engineering 15 (October 2012): 37–53. http://dx.doi.org/10.4028/www.scientific.net/jbbte.15.37.

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In this Study, a New Zealand Rabbit Parietal Bone Was Cross-Sectioned, and Parameters such as Entire Thickness and the Thicknesses of the Compact and Spongy Tables Were Morphometrically Measured by Imagej Software. the Pore Size of the Cancellous Table Was Also Analysed, and a Calvarial Bone Model Was Created. Based upon a Natural Model for Bone Repair, a Nano-Structured Scaffold Was Designed Using Bioglass and Gelatin (BG) as its Main Components. the Scaffold Was Prepared Using Layer Solvent Casting Combined with Freeze-Drying, Layering Techniques, and other Commonly Used Techniques. the Fabr

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Michailidou, Georgia, Ioanna Koumentakou, Efstathios V. Liakos, et al. "Adsorption of Uranium, Mercury, and Rare Earth Elements from Aqueous Solutions onto Magnetic Chitosan Adsorbents: A Review." Polymers 13, no. 18 (2021): 3137. http://dx.doi.org/10.3390/polym13183137.

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The compound of chitin is the second most important and abundant natural biopolymer in the world. The main extraction and exploitation sources of this natural polysaccharide polymer are mainly crustaceans species, such as shrimps and crabs. Chitosan (CS) (poly-β-(1 → 4)-2-amino-2-deoxy-d-glucose) can be derived from chitin and can be mentioned as a compound that has high value-added applications due to its wide variety of uses, including pharmaceutical, biomedical, and cosmetics applications, food etc. Furthermore, chitosan is a biopolymer that can be used for adsorption applications because i

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Rybak, Miłosz, Tomasz Woźniak, Magdalena Birowska, et al. "Stress-Tuned Optical Transitions in Layered 1T-MX2 (M=Hf, Zr, Sn; X=S, Se) Crystals." Nanomaterials 12, no. 19 (2022): 3433. http://dx.doi.org/10.3390/nano12193433.

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Optical measurements under externally applied stresses allow us to study the materials’ electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the stress-induced changes in electronic structure for the thermodynamically stable 1T polytype of selected MX2 compounds (M=Hf, Zr, Sn; X=S, Se), using the density functional theory. We demonstrate that considered 1T-MX2 materials are semiconducting with indirect character of the band gap, irrespective to the employed pressure as predicted using modified Becke–Johnson

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Robien, Wolfgang. "The Advantage of Automatic Peer-Reviewing of 13C-NMR Reference Data Using the CSEARCH-Protocol." Molecules 26, no. 11 (2021): 3413. http://dx.doi.org/10.3390/molecules26113413.

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A systematic investigation of the experimental 13C-NMR spectra published in Molecules during the period of 1996 to 2015 with respect to their quality using CSEARCH-technology is described. It is shown that the systematic application of the CSEARCH-Robot-Referee during the peer-reviewing process prohibits at least the most trivial assignment errors and wrong structure proposals. In many cases, the correction of the assignments/chemical shift values is possible by manual inspection of the published tables; in certain cases, reprocessing of the original experimental data might help to clarify the

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Nosenko, Vladimir A., Aleksandr V. Fetisov, and Semen P. Kuznesov. "Transfer of Cubic Boron Nitride Grinding Wheel Wear Products to the Nickel Alloy Surface." MATEC Web of Conferences 329 (2020): 03050. http://dx.doi.org/10.1051/matecconf/202032903050.

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The article summarizes the results of microscopic and x-ray spectral studies of objects embedded in the surface layer of a nickel alloy after grinding with a wheel of cubic boron nitride (CBN) on a ceramic bond. In the introduction, the authors analyzes the results of research on the use of CBN as an abrasive material. Unlike silicon carbide wheels, CBN tools are a more complex and multi-component structure, which has a significant impact on the self-sharpening of the abrasive tool and the transfer of material. The purpose of this article is to detect and identify the wear products of a CBN gr

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Azid, Toseef, Mumtaz Anwar, and M. Junaid Khawaja. "Management of Energy Recourses, Marginal Input- Output Coefficients, and Layers of Techniques: A Case Study of US Chemical Industry." Pakistan Development Review 46, no. 4II (2007): 517–36. http://dx.doi.org/10.30541/v46i4iipp.517-536.

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The embodied technical change should reduce the cost of production of the commodity. However, price structure, wages and interest rates also will change over time. Thus if a commodity is following a fixed price regime, the adjustment of a historical input-output table to current price wage level will leaves less and less profit per unit of output. The extent of this reduction will indicate the extent of technological change. There are different approaches to the prediction of changes in input-output coefficients. The first approach, attributable to Leontief (1941) and Stone (1962), assumes tha

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Johnson, James W., David H. Weinberg, Fiorenzo Vincenzo, et al. "Stellar migration and chemical enrichment in the milky way disc: a hybrid model." Monthly Notices of the Royal Astronomical Society 508, no. 3 (2021): 4484–511. http://dx.doi.org/10.1093/mnras/stab2718.

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ABSTRACT We develop a hybrid model of galactic chemical evolution that combines a multiring computation of chemical enrichment with a prescription for stellar migration and the vertical distribution of stellar populations informed by a cosmological hydrodynamic disc galaxy simulation. Our fiducial model adopts empirically motivated forms of the star formation law and star formation history, with a gradient in outflow mass loading tuned to reproduce the observed metallicity gradient. With this approach, the model reproduces many of the striking qualitative features of the Milky Way disc’s abund

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Ullah, Zia, Ahmad Hussain, Musaad S. Aldhabani, Nifeen H. Altaweel, and Sana Shahab. "Significance of Temperature-Dependent Density on Dissipative and Reactive Flows of Nanofluid along Magnetically Driven Sheet and Applications in Machining and Lubrications." Lubricants 11, no. 9 (2023): 410. http://dx.doi.org/10.3390/lubricants11090410.

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Nanofluid lubrication and machining are challenging and significant tasks in manufacturing industries that are used to control the removal of a material from a surface by using a cutting tool. The introduction of a nanofluid to the cutting zone provides cooling, lubricating, and chip-cleaning benefits that improve machining productivity. A nanofluid is a cutting fluid that is able to remove excessive friction and heat generation. Chemical reactions and temperature-dependent density are essential in the thermal behavior of a nanofluid. The present study presents a careful inspection of the chem

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Warr, Wendy A., and G. Klöss. "Chemical structure information systemes – interfaces, communication, and standards. ACS Symposium Series 400. American Chemical Society, Washington, DC, 1989, 132 pages, 56 figures, 3 tables, price US $ 34.95, ISBN 0-8412-1664-9." Crystal Research and Technology 26, no. 7 (1991): 840. http://dx.doi.org/10.1002/crat.2170260705.

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Yatsenko, І. V., and R. H. Kazantsev. "Specific peculiarity of the forensic veterinary expert conclusion structure according to the research of fowl corpse results." Scientific Messenger of LNU of Veterinary Medicine and Biotechnologies 23, no. 103 (2021): 60–77. http://dx.doi.org/10.32718/nvlvet10310.

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The article identifies and systematizes some issues of the forensic veterinary expert conclusion structure according to the research of fowl carcass results. It is claimed that the sequence of fowl carcass examination results presentation is determined by a forensic veterinary expert with account the examination specifics, the object study state and the issues nature raised by the subject of examination appointment for the expert decision. It is shown that the peculiarity of its introductory part is a specific issues list raised for the forensic veterinary expert decision by the research subje

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Safonova, L. P., and L. E. Shmukler. "Polymer Electrolytes Based on Polybenzimidazole, Poly(Vinylidene Fluoride-co-Hexafluoropropylene), and Ionic Liquids." Высокомолекулярные соединения А 65, no. 4 (2023): 249–74. http://dx.doi.org/10.31857/s2308112023700566.

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Ionic liquids, salts with melting temperature below 100°C, have continuously attracted research interest. Introduction of ionic liquids in a polymer matrix affords polymer electrolytes exhibiting extremely high electroconductivity and electrochemical stability, membranes on their basis possessing good mechanical properties. Diversity of the polymers/copolymers suitable as the matrix as well as practically unlimited variety of ionic liquids (obtained via variation of the anion-cation composition and additional modification of the ions chemical structure) have afforded the polymer electrolytes w

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Yuan, Huan, Jiagui Wu, Jinping Zhang, et al. "Non-Volatile Programmable Ultra-Small Photonic Arbitrary Power Splitters." Nanomaterials 12, no. 4 (2022): 669. http://dx.doi.org/10.3390/nano12040669.

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A series of reconfigurable compact photonic arbitrary power splitters are proposed based on the hybrid structure of silicon and Ge2Sb2Se4Te1 (GSST), which is a new kind of non-volatile optical phase change material (O-PCM) with low absorption. Our pixelated meta-hybrid has an extremely small photonic integrated circuit (PIC) footprint with a size comparable to that of the most advanced electronic integrated circuits (EICs). The power-split ratio can be reconfigured in a completely digital manner through the amorphous and crystalline switching of the GSST material, which only coated less than o

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Wang, Siyuan, Haiou Wang, Kun Luo, and Jianren Fan. "The Effects of Differential Diffusion on Turbulent Non-Premixed Flames LO2/CH4 under Transcritical Conditions Using Large-Eddy Simulation." Energies 16, no. 3 (2023): 1065. http://dx.doi.org/10.3390/en16031065.

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In this paper, a large-eddy simulation (LES) of turbulent non-premixed LO2/CH4 combustion under transcritical conditions is performed based on the Mascotte test rig from the Office National d’Etudes et de Recherches Ae´rospatiales (ONERA), and the aim is to understand the effects of differential diffusion on the flame behaviors. In the LES, oxygen was injected into the environment above the critical pressure while the temperature was below the critical temperature. The flamelet/progress variable (FPV) approach was used as the combustion model. Two LES cases with different species diffusion coe

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Porta, Jason, Jeff Lovelace, and Gloria E. O. Borgstahl. "How to assign a (3 + 1)-dimensional superspace group to an incommensurately modulated biological macromolecular crystal." Journal of Applied Crystallography 50, no. 4 (2017): 1200–1207. http://dx.doi.org/10.1107/s1600576717007294.

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Periodic crystal diffraction is described using a three-dimensional (3D) unit cell and 3D space-group symmetry. Incommensurately modulated crystals are a subset of aperiodic crystals that need four to six dimensions to describe the observed diffraction pattern, and they have characteristic satellite reflections that are offset from the main reflections. These satellites have a non-integral relationship to the primary lattice and requireqvectors for processing. Incommensurately modulated biological macromolecular crystals have been frequently observed but so far have not been solved. The author

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Efremov, Andrey N., Vladimir V. Sharutin, Olga K. Sharutina, Pavel V. Andreev, and Oleg S. Eltsov. "SYNTHESIS AND STRUCTURE OF METHYLTRIPHENYLPHOSPHONIUM DICYANODIBROMOAURATE [Ph3PCH3] [Au(CN)2Br2]." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 63, no. 3 (2020): 10–15. http://dx.doi.org/10.6060/ivkkt.20206303.6097.

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Methyltriphenylphosphonium dicyanodibromoaurate (1) [Ph3PMe]+[Au(CN)2Br2]– was synthesized by the reaction of potassium dicyanodibromoaurate with methyltriphenylphosphonium bromide in an aqueous solution and was structurally characterized. The complex is a yellow-colored, air-resistant crystalline substance with a clear melting point. The structure of the compound was established by IR spectroscopy, NMR spectroscopy and X-ray diffraction analysis. An intense absorption band was observed in the IR spectrum of compound at 2220 cm−1, corresponding to the stretching vibrations of cyano groups. The

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Pinoargote, Jordan Andres P., Jennifer Tatiana R. Alcivar, and Carlos G. Villacreses Viteri. "Analysis and design of wastewater treatment." International journal of life sciences 2, no. 3 (2018): 121–35. http://dx.doi.org/10.29332/ijls.v2n3.221.

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The work proposes the reuse of wastewater from the Faculty of Agronomic Engineering of the Technical University of Manabí, located in the Lodana parish in the city of Portoviejo, to irrigate the diversity of plantations that exist in the institution as a banana, cocoa and lemon. In the work, the results of the physical-chemical and bacteriological analysis carried out on the residual water generated in the institution are offered, being able to verify that it does not meet the parameters required to be used in the irrigation of crops. The technical scheme of the proposed treatment system is sh

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