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Journal articles on the topic 'Visualisation of chemical structures'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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1

Soria, Julio, and Brian J. Cantwell. "Topological visualisation of focal structures in free shear flows." Applied Scientific Research 53, no. 3-4 (1994): 375–86. http://dx.doi.org/10.1007/bf00849111.

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2

Valera-Medina, A., N. Syred, and A. Griffiths. "Visualisation of isothermal large coherent structures in a swirl burner." Combustion and Flame 156, no. 9 (2009): 1723–34. http://dx.doi.org/10.1016/j.combustflame.2009.06.014.

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3

Moukarzel, Romy, Hayley J. Ridgway, Alexis Guerin-Laguette, and E. Eirian Jones. "An improved clearing and staining protocol for evaluation of arbuscular mycorrhizal colonisation in darkly pigmented woody roots." New Zealand Plant Protection 73 (November 15, 2020): 33–39. http://dx.doi.org/10.30843/nzpp.2020.73.11711.

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Arbuscular mycorrhizal fungi (AMF) establish symbiotic interactions with the roots of vascular plants, including grapevines. Verifying AMF colonisation routinely requires establishing the presence of hyphae, arbuscules and vesicles. Clearing roots with potassium hydroxide (KOH) followed by staining with trypan blue has been used previously to visualise fungal structures, however visualisation is difficult with darkly pigmented roots, such as those of grapevines so additional steps are required to ensure clear visualisation. Three fixing and clearing processes were evaluated prior to staining w

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4

Mučaji, P., and M. Nagy. "Contribution to the TLC separation of ursolic and oleanolic acid mixture." Acta Facultatis Pharmaceuticae Universitatis Comenianae 58, no. 1 (2011): 56–61. http://dx.doi.org/10.2478/v10219-011-0006-0.

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Contribution to the TLC separation of ursolic and oleanolic acid mixtureThe aim of the study was to develop a rapid, simple, effective and reproducible TLC method for separation of a naturally occurring mixture of ursolic and oleanolic acids. Because of the similarity of chemical structures,in situderivatisation by iodine was necessary to separate these triterpenic acids. Separation was achieved on silica gel plates. After derivatisation, a chromatographic plate was developed with the mobile phase consisting of light petrol, ethyl acetate and acetone (8.2:1.8:0.1, v/v/v) following visualisatio

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5

McCarthy, J. M., A. Deivasigamani, S. Watkins, S. J. John, F. Coman, and P. Petersen. "On the visualisation of flow structures downstream of fluttering piezoelectric energy harvesters in a tandem configuration." Experimental Thermal and Fluid Science 57 (September 2014): 407–19. http://dx.doi.org/10.1016/j.expthermflusci.2014.05.017.

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6

Dalacosta, Konstadina, and Evangelia A. Pavlatou. "Usability evaluation of 3-D visualisations augmented by cartoons for teaching solids and crystal structures in chemical engineering." New Trends and Issues Proceedings on Humanities and Social Sciences 5, no. 4 (2018): 83–89. http://dx.doi.org/10.18844/prosoc.v5i4.3707.

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In chemical engineering, undergraduate students often have to face the highly demanding process of understanding concepts from the microscopic level (e.g., ionic crystals such as zinc sulphide or covalent lattice crystals diamond, graphite, graphene etc.) and then explain with certain physical–chemical properties their macroscopic behaviour. Therefore, the main idea was to construct a specifically designed educational material that focusses on the benefits of viewing visualisations to enhance students’ conceptual understanding of solids and crystal structures augmented by cartoons, and evaluat

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7

Pavlin, Jerneja, Saša A. Glažar, Miha Slapničar, and Iztok Devetak. "The impact of students’ educational background, interest in learning, formal reasoning and visualisation abilities on gas context-based exercises achievements with submicro-animations." Chemistry Education Research and Practice 20, no. 3 (2019): 633–49. http://dx.doi.org/10.1039/c8rp00189h.

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The purpose of this paper is to explore and explain students’ achievements in solving context-based gas exercises comprising the macroscopic and submicroscopic levels of chemical concepts. The influence of specific variables, such as interest in learning, formal-reasoning abilities, and visualisation abilities, is a significant factor that should be considered when explaining students’ achievements with context-based exercises. Seventy-nine students of three age groups (12, 16, and 23) participated in the study. Questionnaires, tests, and a semi-structured interview including computer-displaye

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8

Aguilera, J. M. "Drying and Dried Products Under the Microscope." Food Science and Technology International 9, no. 3 (2003): 137–43. http://dx.doi.org/10.1177/1082013203034640.

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Food engineers do not often realise that drying of foods and biological materials is a problem of preserving or transforming structures rather than one of removing water. Some unique product properties depend on the structure of dried foods: rehydration and instant properties, flavour retention and sensorial attributes (including colour and texture). The role of structure extends in biochemical and pharmaceutical products to the molecular level and plays key role in viability of desiccated plants and organisms and/or specific activity of dried biomolecules. Nowadays different techniques and pr

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9

Jarmusch, A. K., C. R. Ferreira, L. S. Eberlin, and V. Pirro. "187 OVARIAN CYCLE LIPID DYNAMICS REVEALED BY DESI-MS IMAGING AND MORPHOLOGICALLY-DRIVEN MULTIVARIATE STATISTICS." Reproduction, Fertility and Development 27, no. 1 (2015): 184. http://dx.doi.org/10.1071/rdv27n1ab187.

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Understanding the role of lipid metabolism in ovarian physiology is crucial for the progression of reproductive biotechnology. The aim in this work was to explore the lipid composition and dynamics of ovarian tissue, specifically the stroma, follicles, and corpora lutea. Desorption electrospray ionization–mass spectrometry (DESI-MS), an ambient ionization technique, was applied in this investigation, acquiring chemical and spatial information simultaneously. A morphologically-friendly solvent, dimethylformamide-acetonitrile (1 : 1), was used for DESI-MS imaging which allowed for ovarian lipid

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10

Opara, Jarosław, Boris Straumal, and Paweł Zięba. "Cellular Automata Modelling of Discontinuous Precipitation." Materials 14, no. 17 (2021): 4985. http://dx.doi.org/10.3390/ma14174985.

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The fundamentals of discontinuous precipitation (DP) reaction modelling using a cellular automata (CA) method are presented. In the proposed CA model, cell states, internal variables, equations, and transition rules were defined to predict the manner of mass transport during DP reaction and to relate changes in the microstructure with corresponding changes in chemical composition. Furthermore, the concept of digital material representation (DMR) was introduced into the CA model, which allowed schematic images of the microstructure to be used as starting structures in the modelling of the DP re

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11

Wiegels, Tim, Joana Pereira, Ioan Vancea, et al. "ARP/wARP for crystallographic model building and drug discovery." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C325. http://dx.doi.org/10.1107/s2053273314096740.

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The ARP/wARP software project combines automated model building and refinement into an unified approach for macromolecular crystal structure determination. The project is based on two decades of extensive research and development in the areas of macromolecular X-ray crystallography, informatics, data mining and statistical pattern recognition. ARP/wARP collects a vast amount of computationally efficient methods and provides easy-to-use pipelines for building models of proteins, nucleotides, ligands, as well as their complexes. All methods are intuitively accessible from the ArpNavigator [1], w

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12

Osmanov, O. M. "Graphic visualisation of fractal structures." Uspekhi Fizicheskih Nauk 165, no. 9 (1995): 1095. http://dx.doi.org/10.3367/ufnr.0165.199509f.1095.

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13

Osmanov, O. M. "Graphic visualisation of fractal structures." Physics-Uspekhi 38, no. 9 (1995): 1049–51. http://dx.doi.org/10.1070/pu1995v038n09abeh000108.

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14

Doak, David, Gareth Denyer, Juliet Gerrard, Joel Mackay, and Jane Allison. "Peppy." Pacific Journal of Technology Enhanced Learning 2, no. 1 (2020): 49–50. http://dx.doi.org/10.24135/pjtel.v2i1.68.

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   Science students are traditionally taught protein structure and function through textbook pictures and/or physical model building. This is not effective for most students because conceiving large, complex three-dimensional chemicals structure and dynamic molecular interactions requires a very high degree of abstract thought, imagination and extrapolation. It is intuitively reasonable to believe that a virtual reality approach would aid appreciation of nanoscale molecular structure, function and dynamics. I will describe the Virtual Reality (VR) tool, “Peppy” (1), tha

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15

Herbst‐Irmer, Regine, and Erhard Irmer. "Experimental Visualisation of Chemical Bonding." CHEMKON 27, no. 6 (2020): 275–81. http://dx.doi.org/10.1002/ckon.202000015.

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16

Xu, C., and P. A. Dowd. "Optimal construction and visualisation of geological structures." Computers & Geosciences 29, no. 6 (2003): 761–73. http://dx.doi.org/10.1016/s0098-3004(03)00026-8.

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17

Sgouros, S., and K. Natarajan. "Abstract virtual reality visualisation of brain structures." Child's Nervous System 21, no. 8-9 (2005): 603. http://dx.doi.org/10.1007/s00381-005-1217-2.

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18

Cheng, Maurice M. W., and John K. Gilbert. "Modelling students’ visualisation of chemical reaction." International Journal of Science Education 39, no. 9 (2017): 1173–93. http://dx.doi.org/10.1080/09500693.2017.1319989.

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19

Lu, X. B., and F. Stetter. "Specification scheme for the visualisation of data structures." Software Engineering Journal 9, no. 3 (1994): 127. http://dx.doi.org/10.1049/sej.1994.0016.

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20

Saroha, Anil Kumar. "Tomography and Visualisation Techniques." Indian Chemical Engineer 51, no. 4 (2010): v—vii. http://dx.doi.org/10.1080/00194500903572555.

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21

Zils, S., M. Timpel, T. Arlt, A. Wolz, I. Manke, and C. Roth. "3D Visualisation of PEMFC Electrode Structures Using FIB Nanotomography." Fuel Cells 10, no. 6 (2010): 966–72. http://dx.doi.org/10.1002/fuce.201000133.

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22

Manssour, Isabel H., Luiz Gustavo Fernandes, Carla Maria Freitas, Gustavo Serra, and Thiago Nunes. "High performance approach for inner structures visualisation in medical data." International Journal of Computer Applications in Technology 22, no. 1 (2005): 23. http://dx.doi.org/10.1504/ijcat.2005.006800.

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23

Pons, M. N., H. Vivier, K. Belaroui, et al. "Particle morphology: from visualisation to measurement." Powder Technology 103, no. 1 (1999): 44–57. http://dx.doi.org/10.1016/s0032-5910(99)00023-6.

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24

Wu, Xingyi, Guofang Zhong, and John Robertson. "Nondestructive optical visualisation of graphene domains and boundaries." Nanoscale 8, no. 36 (2016): 16427–34. http://dx.doi.org/10.1039/c6nr04642h.

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25

Graham, Martin, and Jessie Kennedy. "A Survey of Multiple Tree Visualisation." Information Visualization 9, no. 4 (2009): 235–52. http://dx.doi.org/10.1057/ivs.2009.29.

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This article summarises the current state of research into multiple tree visualisations. It discusses the spectrum of current representation techniques used on single trees, pairs of trees and finally multiple trees, in order to identify which representations are best suited to particular tasks and to find gaps in the representation space, in which opportunities for future multiple tree visualisation research may exist. The application areas from where multiple tree data are derived are enumerated, and the distinct structures that multiple trees make in combination with each other and the effe

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26

Johnson, E., and V. B. Xuan. "A novel tool for visualisation and analysis of complex plant structures." Journal of Biomechanics 39 (January 2006): S628. http://dx.doi.org/10.1016/s0021-9290(06)85613-7.

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27

Zhang, W. M., W. Sun, and H. S. Chen. "3D visualisation of pore structures in cement-based materials by LSCM." Advances in Cement Research 22, no. 1 (2010): 53–57. http://dx.doi.org/10.1680/adcr.2008.22.1.53.

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28

Szili-Torok, T., G. P. Kimman, D. Theuns, J. Res, J. R. T. C. Roelandt, and L. J. Jordaens. "Visualisation of Intra-cardiac Structures and Radiofrequency Lesions Using Intracardiac Echocardiography." European Heart Journal - Cardiovascular Imaging 4, no. 1 (2003): 17–22. http://dx.doi.org/10.1053/euje.4.1.17.

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29

Poy, Guilhem, and Slobodan Žumer. "Ray-based optical visualisation of complex birefringent structures including energy transport." Soft Matter 15, no. 18 (2019): 3659–70. http://dx.doi.org/10.1039/c8sm02448k.

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30

Maldonado-Valderrama, Julia, A. Patrick Gunning, Peter J. Wilde, and Victor J. Morris. "In vitro gastric digestion of interfacial protein structures: visualisation by AFM." Soft Matter 6, no. 19 (2010): 4908. http://dx.doi.org/10.1039/c0sm00300j.

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31

Krol, P., B. Krol, and K. Skrzypiec. "Visualisation of Supermolecular Structures in Polyurethane Ionomers Using Atomic Force Spectroscopy." International Polymer Science and Technology 32, no. 8 (2005): 63–69. http://dx.doi.org/10.1177/0307174x0503200815.

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32

Shubbar, K. E. "Learning the Visualisation of Rotations in Diagrams of Three Dimensional Structures." Research in Science & Technological Education 8, no. 2 (1990): 145–54. http://dx.doi.org/10.1080/0263514900080206.

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33

Menaka, R., and R. Karthik. "A novel feature extraction scheme for visualisation of 3D anatomical structures." International Journal of Biomedical Engineering and Technology 21, no. 1 (2016): 49. http://dx.doi.org/10.1504/ijbet.2016.076732.

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34

Fediv, V. I., I. S. Davydenko, A. I. Savchuk, M. M. Marchenko, and T. A. Savchuk. "APPLICATION OF SEMIMAGNETIC SEMICONDUCTOR NANOPARTICLES FOR VISUALISATION OF BIOLOGICAL TISSUE STRUCTURES." Sensor Electronics and Microsystem Technologies 6, no. 2 (2010): 43–48. http://dx.doi.org/10.18524/1815-7459.2009.2.115673.

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35

O'Callaghan, E. J. "3-D Visualisation of Transpressional Structures in the Eastern Otway Basin." Exploration Geophysics 24, no. 3-4 (1993): 743–50. http://dx.doi.org/10.1071/eg993743.

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36

Veevers, Ruth, and Steven Hayward. "Morphing and docking visualisation of biomolecular structures using Multi-Dimensional Scaling." Journal of Molecular Graphics and Modelling 82 (June 2018): 108–16. http://dx.doi.org/10.1016/j.jmgm.2018.04.013.

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37

Sandak, Jakub, Anna Sandak, and Ottaviano Allegretti. "Chemical Changes to Woody Polymers Due to High-Temperature Thermal Treatment Assessed with near Infrared Spectroscopy." Journal of Near Infrared Spectroscopy 24, no. 6 (2016): 555–62. http://dx.doi.org/10.1255/jnirs.1220.

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Near infrared spectroscopy and an original approach for visualisation of spectra are proposed here for characterisation of vacuum thermally modified samples of eight wood species representing softwoods and hardwoods. Significant changes in absorption bands were observed in conjunction with an increase of treatment temperature. A novel method for visualisation of the degradation patterns (xylograms) is capable of highlighting peculiarities in chemical changes to woody polymers due to the thermal treatment. This method also allows observation of kinetics and permits comparison of thermal stabili

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38

Gorb, Stanislav N. "Visualisation of Native Surfaces by Two-Step Molding." Microscopy Today 15, no. 2 (2007): 44–47. http://dx.doi.org/10.1017/s1551929500051038.

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One of the most important tasks of microscopy is to provide information about structures in their natural state. Since most life science microscopy procedures require fixation, dehydration, drying, and sectioning, diverse artefacts are unavoidable. It is also possible to dehydrate the water content of a specimen by freeze-drying. However, even relatively stable surface structures are changed during such treatments. Methods of liquid substitution and freezing-substitution show good results for biological specimens with a waxy solid coverage (Ensikat and Barthlott, 1993) and soft specimens in a

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39

Zhang, S., A. J. Jaworski, S. C. McParlin, and J. T. Turner. "Experimental investigation of the flow structures over a 40° swept wing." Aeronautical Journal 123, no. 1259 (2019): 39–55. http://dx.doi.org/10.1017/aer.2018.118.

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ABSTRACTFlow over a moderately swept wing is characterised by complex localised flow vortex topologies such as ‘closed’ separation bubbles or ‘open’ separation structures. A model of a complex cambered, twisted, tapered wing with 40° leading edge sweep, representative of those designed for manoeuvre at high subsonic Mach numbers, was investigated using the oil-film visualisation, stereo particle image velocimetry and force moment measurements. Wind-tunnel tests were conducted at a range of Reynolds number from 2.1×105 to 8.4×105 and at angles of incidence from −1° to 22°. Still images combined

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40

W. May, P. "The visualisation of chemical processes for electronic publishing and presentations." PhysChemComm 4, no. 17 (2001): 78. http://dx.doi.org/10.1039/b103982m.

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41

Célérier, Guy, and Wilford O'yl. "Apports des images numériques 3 D dans la visualisation de structures évidentes." Paléo 9, no. 1 (1997): 325–34. http://dx.doi.org/10.3406/pal.1997.1239.

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42

Szpakowski, A., T. Pustelny, L. Jodłowski, M. Piszczek, and K. Fokow. "The system of ultrasound head design for acoustical visualisation of biological structures." Journal de Physique IV (Proceedings) 109 (June 2003): 105–10. http://dx.doi.org/10.1051/jp4:20030658.

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43

Kogan, Mikhail, Igor Popov, Boris Mitrin, et al. "Visualisation of penile structures of laboratory rabbit: ultrasound, histology, and micro-CT." E3S Web of Conferences 210 (2020): 06016. http://dx.doi.org/10.1051/e3sconf/202021006016.

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Current imaging methods in pre-clinical and animal model studies of penile disease are limited because of the small penis of a rat – standard laboratory animal used in this type of research. Routine visualization methods of surface and inner structures of the penis used in clinical medicine are not suitable in experimental animal researches. The only method available for these purposes is histopathological analysis, which does not provide complex view on penile structures due to two-dimensional imaging per slide. In the pre study we evaluated and compared capability of ultrasound, histopatholo

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44

Melo, Cassio, Marie-Aude Aufort, and Bénédicte Legrand. "Extraction et visualisation de structures arborescentes à partir de treillis de concepts." Revue d'intelligence artificielle 26, no. 4 (2012): 393–408. http://dx.doi.org/10.3166/ria.26.393-408.

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45

Jokipii, Annukka, Aapo Lansiluoto, and Tomas Eklund. "A clustering and visualisation approach to the analysis of internal control structures." International Journal of Accounting, Auditing and Performance Evaluation 7, no. 3 (2011): 151. http://dx.doi.org/10.1504/ijaape.2011.040832.

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46

Yamamoto, Michiro, Shukuki Koh, Masahiro Tatebe, et al. "ARTHROSCOPIC VISUALISATION OF THE DISTAL RADIOULNAR JOINT." Hand Surgery 13, no. 03 (2008): 133–38. http://dx.doi.org/10.1142/s0218810408003979.

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The diagnosis of chronic wrist pain is challenging and wrist arthroscopy has been recognised as the "gold standard". The present study investigated the efficacy of adding distal radioulnar joint (DRUJ) arthroscopy to routine wrist arthroscopy. The records of 67 patients who underwent DRUJ arthroscopy were reviewed, and the success rates for visualisation of intra-articular structures were determined. Pathological findings were correlated with ulnar-side wrist pain. In seven patients, pre-operative diagnoses were altered after DRUJ arthroscopy. The ulnar head and proximal surface of the triangu

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47

Caldera, Yvonne M., Anne McDonald Culp, Marion O’Brien, Rosemarie T. Truglio, Mildred Alvarez, and Aletha C. Huston. "Children’s Play Preferences, Construction Play with Blocks, and Visual-spatial Skills: Are they Related?" International Journal of Behavioral Development 23, no. 4 (1999): 855–72. http://dx.doi.org/10.1080/016502599383577.

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Fifty-one preschoolers’ play preferences, skills at assembling block structures, and spatial abilities were recorded in this study. There were no sex differences in children’s visual-spatial skills, and play with art materials and children’s free and structured play with blocks were related to spatial visualisation. Two patterns emerged from the findings: (1) activity and performance representing skills in spatial visualisation and visual-motor coordination; and (2) creativity, or the ability to break set and to produce varied solutions using visual materials. Future research might examine the

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48

Staines, Anthony Spiteri. "Graph Drawing Approaches for Petri Net Visualisation and Representation." WSEAS TRANSACTIONS ON INFORMATION SCIENCE AND APPLICATIONS 18 (July 6, 2021): 73–81. http://dx.doi.org/10.37394/23209.2021.18.10.

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Petri net structures can benefit from being modelled using graph drawing approaches. This work presents some advanced graph drawing approaches that can be used for visualising Petri net models. These are i) topological shape metrics, ii) visibility drawing, iii) orthogonalization, iv) hierarchical and v) bi-graph partitioning. The models show that this can be successfully done and the Petri nets that are generated in this work are suitable for visualisation. Graph visualisation is an important topic and the results show that there is a large potential to apply this approach to drawing Petri Ne

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49

Plasser, Felix, and Florian Glöcklhofer. "Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity**." European Journal of Organic Chemistry 2021, no. 17 (2021): 2529–39. http://dx.doi.org/10.1002/ejoc.202100352.

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50

Martins, B., A. Smith, Z. Jing, A. Lazare, and J. M. Artonne. "Mammographie 3D : reduction de la dose et visualisation des structures a faible contraste." Journal de Radiologie 87, no. 10 (2006): 1271. http://dx.doi.org/10.1016/s0221-0363(06)86944-1.

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