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Articoli di riviste sul tema "Crystallization – Experiments – Software"

Autore: Grafiati
Pubblicato: 4 giugno 2021
Ultima modifica: 10 febbraio 2022

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1

Watts, David, Jochen Müller-Dieckmann, Gohar Tsakanova, Victor S. Lamzin, and Matthew R. Groves. "Quantitive evaluation of macromolecular crystallization experiments using 1,8-ANS fluorescence." Acta Crystallographica Section D Biological Crystallography 66, no. 8 (July 10, 2010): 901–8. http://dx.doi.org/10.1107/s0907444910020664.

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Abstract (sommario):
Modern X-ray structure analysis and advances in high-throughput robotics have allowed a significant increase in the number of conditions screened for a given sample volume. An efficient evaluation of the increased amount of crystallization trials in order to identify successful experiments is now urgently required. A novel approach is presented for the visualization of crystallization experiments using fluorescence from trace amounts of a nonspecific dye. The fluorescence images obtained strongly contrast protein crystals against other phenomena, such as precipitation and phase separation. Nov
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2

Mele, Katarina, Rongxin Li, Vincent J. Fazio, and Janet Newman. "Quantifying the quality of the experiments used to grow protein crystals: theiQCsuite." Journal of Applied Crystallography 47, no. 3 (May 29, 2014): 1097–106. http://dx.doi.org/10.1107/s1600576714009728.

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Abstract (sommario):
Millions of crystallization trials are set up each year, with no clear metrics for determining if the experiments were correctly dispensed. This article reports the development of a software tool (iQC–image Quality Control) that recognizes factors associated with suboptimal experimental control during the setting up of protein crystallization trials. In its simplest form,iQCreturns a report that gives an overall rating to the quality of an experimental setup. TheiQCsoftware is able to identify many common problems observed in setting up crystallization trials – droplets that have associated sp
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3

Wilson, Julie, and Ian Berry. "The use of gradient direction in pre-processing images from crystallization experiments." Journal of Applied Crystallography 38, no. 3 (May 13, 2005): 493–500. http://dx.doi.org/10.1107/s0021889805007442.

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Abstract (sommario):
Robots are now used routinely to perform crystallization experiments and many laboratories now have imaging systems to record the results. These images must be evaluated rapidly and the results fed back into optimization procedures. Software to analyse the images is being developed; described here are methods to restrict the area of the image to be analysed in order to speed up processing. Properties of the gradient of greyscale images are used to identify first the well and then the crystallization drop for various crystallization trays and different imaging systems. Methods are discussed to
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4

Audic, Stéphane, Fabrice Lopez, Jean-Michel Claverie, Olivier Poirot, and Chantal Abergel. "SAmBA: An interactive software for optimizing the design of biological macromolecules crystallization experiments." Proteins: Structure, Function, and Genetics 29, no. 2 (October 1997): 252–57. http://dx.doi.org/10.1002/(sici)1097-0134(199710)29:2<252::aid-prot12>3.0.co;2-n.

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5

Yamada, Yusuke, Naohiro Matsugaki, Masahiko Hiraki, Ryuichi Kato, and Toshiya Senda. "In-situ diffraction experiments at the Photon Factory MX beamlines." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C500. http://dx.doi.org/10.1107/s2053273314094996.

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Abstract (sommario):
Crystallization trial is one of the most important but time-consuming steps in macromolecular crystallography. Once a crystal appears in a certain crystallization condition, the crystal is typically harvested from the crystallization drop, soaked into a cryoprotection buffer, flash-cooled with a liquid nitrogen or cold gas flow and finally evaluated its diffraction quality by an X-ray beam. During these long process, crystal may be damaged and the result from the diffraction experiment does not necessarily reflect a nature of the crystal. On in-situ diffraction experiment, where a crystal in a
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6

Kang, Yue, Chao Liu, Yuzhu Zhang, and Hongwei Xing. "Influence of Crystallization Behavior of Gas Quenching Blast Furnace Slag on the Preparation of Amorphous Slag Beads." Crystals 10, no. 1 (January 10, 2020): 30. http://dx.doi.org/10.3390/cryst10010030.

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Slag beads with different crystal content could be obtained through the gas quenching blast furnace slag (BFS) process. In order to increase the additional value of the slag beads as much as possible, it was necessary to restrain the crystallization of the slag beads as much as possible. In this paper, the mineral types and crystallization temperatures of BFS with different basicities and cooling rates were studied by using Factsage thermodynamic software, XRD, and differential scanning calorimeter (DSC) experiments, which obtained the gas quenching temperature and the cooling rate needed to r
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7

Junius, Niels, Esko Oksanen, Maxime Terrien, Christophe Berzin, Jean-Luc Ferrer, and Monika Budayova-Spano. "A crystallization apparatus for temperature-controlled flow-cell dialysis with real-time visualization." Journal of Applied Crystallography 49, no. 3 (April 22, 2016): 806–13. http://dx.doi.org/10.1107/s1600576716004635.

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Abstract (sommario):
Many instrumentation developments in crystallization have concentrated on massive parallelization assays and reduction of sample volume per experiment to find initial crystallization conditions. Yet improving the size and diffraction quality of the crystals for diffraction studies often requires decoupling of crystal nucleation and growth. This in turn requires the control of variables such as precipitant and protein concentration, equilibration rate, and temperature, which are all difficult parameters to control in the existing setups. The success of the temperature-controlled batch method, o
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8

Frølich, Simon, and Henrik Birkedal. "MultiRef: software platform for Rietveld refinement of multiple powder diffractograms fromin situ, scanning or diffraction tomography experiments." Journal of Applied Crystallography 48, no. 6 (November 19, 2015): 2019–25. http://dx.doi.org/10.1107/s1600576715020099.

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Abstract (sommario):
Modern advanced diffraction experiments such asin situdiffraction, position-resolved diffraction or diffraction tomography generate extremely large data sets with hundreds to many thousands of diffractograms. Analyzing such data sets by Rietveld refinement is hampered by the logistics of running the Rietveld refinement program, extracting and analyzing the results, and possibly re-refining the data set based on an analysis of the preceding cycle of refinements. The complexity of the analysis may prevent some researchers either from performing the experiments or from conducting an exhaustive an
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9

Murthy, Tal, Yongcheng Wang, Colin Reynolds, and Titus J. Boggon. "Automated Protein Crystallization Trials Using the Thermo Scientific Matrix Hydra II eDrop." JALA: Journal of the Association for Laboratory Automation 12, no. 4 (August 2007): 213–18. http://dx.doi.org/10.1016/j.jala.2007.04.001.

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Abstract (sommario):
Obtaining suitable crystals for X-ray diffraction experiments is one of the rate-limiting steps in macromolecular crystallography. Robotic platforms that can increase throughput are highly desirable for crystal screening operations. The Thermo Scientific Matrix Hydra II eDrop is a liquid handling robot capable of dispensing sub-microliter and microliter volumes of solutions. Equipped with single-channel noncontact microdispenser, 96-channel syringe-based contact microdispenser and user-friendly ControlMate software, the Thermo Scientific Matrix Hydra II eDrop is appropriately designed for crys
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10

Tian, Runze, Yu Zhang, Anhua Xu, Xuemei Li, Yunlong Hou, and Bowen Tai. "Impact of Cooling on Water and Salt Migration of High-Chlorine Saline Soils." Geofluids 2021 (August 30, 2021): 1–12. http://dx.doi.org/10.1155/2021/8612762.

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Abstract (sommario):
Secondary salinization is a common problem in saline soil projects. In order to grasp the mechanism of water and salt migration of high-chlorine saline soil during the cooling process, the saline soils along the Qarhan-Golmud Highway in the Qinghai-Tibet Plateau were selected as test samples. Firstly, the basic physical parameter test and the soluble salt chemical experiment were carried out and obtained liquid and plastic limits, dry density, etc. Secondly, freezing temperature experiments and water-salt migration experiments under one-way cooling conditions were conducted according to the ac
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11

Daniel, Ed, Mirko M. Maksimainen, Neil Smith, Ville Ratas, Ekaterina Biterova, Sudarshan N. Murthy, M. Tanvir Rahman, et al. "IceBear: an intuitive and versatile web application for research-data tracking from crystallization experiment to PDB deposition." Acta Crystallographica Section D Structural Biology 77, no. 2 (January 26, 2021): 151–63. http://dx.doi.org/10.1107/s2059798320015223.

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Abstract (sommario):
The web-based IceBear software is a versatile tool to monitor the results of crystallization experiments and is designed to facilitate supervisor and student communications. It also records and tracks all relevant information from crystallization setup to PDB deposition in protein crystallography projects. Fully automated data collection is now possible at several synchrotrons, which means that the number of samples tested at the synchrotron is currently increasing rapidly. Therefore, the protein crystallography research communities at the University of Oulu, Weizmann Institute of Science and
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12

Grasza, Krzysztof, Emil Tymicki, Katarzyna Racka, and Marek Orzyłowski. "Experimental Verification of a Novel System for the Growth of SiC Single Crystals." Materials Science Forum 679-680 (March 2011): 16–19. http://dx.doi.org/10.4028/www.scientific.net/msf.679-680.16.

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Abstract (sommario):
A set of single crystal growth experiments was performed in the new resistively heated two-heater furnace, which plays the role of an induction furnace with a moving coil. In this new experimental setup we are able to control the shape of the crystallization front, from flat to extremely convex. The positive results of the experimental tests differ significantly from prior discouraging interpretation of computational modeling results obtained by a commonly used software, previously presented in the literature. The essence of a new regulation of the temperature field during the crystal growth i
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13

Hall, David, Pierre Aller, Alun Ashton, Danny Axford, Alice Douangamath, Richard Fearn, Paul Hathaway, Karl Levik, Katherine McAuley, and Mark Williams. "Remote Access to Diamond Light Source – Adding Flexibility to MX Experiments." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C785. http://dx.doi.org/10.1107/s2053273314092146.

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Abstract (sommario):
Diamond Light Source (DLS) provides a suite of world-leading beamlines for macromolecular crystallography (MX) experiments which are used by scientists from all over the world. Key to their success is an integrated approach to automating the hardware and software environments such that it is only necessary to enter the beamline hutch to change large batches of samples for the robotic sample changers. Alongside investing in automation, all beamlines are also equipped with Pilatus 6M-F detectors (25 – 100 Hz) resulting in fast data collections and high turnover of samples. Rapid downstream proce
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14

Biglione, Jordan, Yves Bereaux, J. Y. Charmeau, Renaud G. Rinaldi, Jean Balcaen, and Sambor Chhay. "Injection Blow Moulding Single Stage Process – Approach of the Material Behaviour in Process Conditions and Numerical Simulation." Key Engineering Materials 651-653 (July 2015): 805–11. http://dx.doi.org/10.4028/www.scientific.net/kem.651-653.805.

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Single stage injection blow moulding process, without preform storage and reheat, could be run on a standard injection moulding machine, with the aim of producing short series of specific hollow parts. In this process, the preform is being blow moulded after a short cooling time. Polypropylene (Random copolymer) is a suitable material for this type of process. The preform has to remain sufficiently melted to be blown. This single stage process introduces temperature gradients, molecular orientation, high stretch rates and high cooling rates. These constraints lead to a small processing window,
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15

Xu, Hongliang. "Structure determination from X-ray powder diffraction data at low resolution." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C143. http://dx.doi.org/10.1107/s2053273314098568.

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Abstract (sommario):
Knowledge of the structural arrangement of atoms in solids is necessary to facilitate the study of their properties. The best and most detailed structural information is obtained when the diffraction pattern of a single crystal a few tenths of a millimeter in each dimension is analyzed, but growing high-quality crystals of this size is often difficult, sometimes impossible. However, many crystallization experiments that do not yield single crystals do yield showers of randomly oriented micro-crystals that can be exposed to X-rays simultaneously to produce a powder diffraction pattern. Direct M
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16

Colin, Béatrice, Benoit Deprez, and Cyril Couturier. "High-Throughput DNA Plasmid Transfection Using Acoustic Droplet Ejection Technology." SLAS DISCOVERY: Advancing the Science of Drug Discovery 24, no. 4 (October 5, 2018): 492–500. http://dx.doi.org/10.1177/2472555218803064.

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Abstract (sommario):
The Labcyte Echo acoustic liquid handler allows accurate droplet ejection at high speed from a source well plate to a destination plate. It has already been used in various miniaturized biological assays, such as quantitative PCR (q-PCR), quantitative real-time PCR (q-RT-PCR), protein crystallization, drug screening, cell dispensing, and siRNA transfection. However, no plasmid DNA transfection assay has been published so far using this dispensing technology. In this study, we evaluated the ability of the Echo 550 device to perform plasmid DNA transfection in 384-well plates. Due to the high th
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17

Adams, J. A., D. Jewell, K. Jorgensen, M. Mickley, and J. M. Newman. "Image Capture and Analysis for Macromolecular Crystal Growth Using RoboMicroscope™II." JALA: Journal of the Association for Laboratory Automation 7, no. 6 (December 2002): 36–40. http://dx.doi.org/10.1016/s1535-5535-04-00224-2.

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The RoboMicroScope II is an image capture and analysis system, which enables the automated analysis of protein crystallization trials. The RoboMicroscope II couples robust hardware with intuitive software that tracks and assigns an objective score to each instance of a crystallization experiment. This machine can also be used in a manual mode, to increase the reliability, objectivity and efficiency of human scoring of crystallization trials.
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18

Chen, Biao, Tie Lin Shi, Guang Lan Liao, and Zhi Jing Zhu. "Friction Welding of Zr41Ti14Cu12.5Ni10Be22.5 Bulk Metallic Glass and Temperature Field Simulation." Advanced Materials Research 528 (June 2012): 144–51. http://dx.doi.org/10.4028/www.scientific.net/amr.528.144.

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Abstract (sommario):
In order to enhance the application of bulk metallic glass (BMG) as engineer material, it is necessary to develop appropriate bonding technology to solve the problems of size limitation and weldability. In this work, a friction welding set-up was constructed, and the Zr41Ti14Cu12.5Ni10Be22.5 BMG rods were joined. The joint interface zone was examined by X-ray diffraction, Scanning electron microscope, Vickers Micro-hardness and Transmission electron microscope. The results showed that the BMG rods were successfully joined, where no crystallization and visible defects were observed. The welding
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19

Tratsiak, Katsiaryna, Tatyana Prudnikova, Ivana Drienovska, Lukas Chrast, Jiri Damborsky, Pavlina Rezacova, Michal Kuty, Radka Chaloupkova, and Ivana Kuta Smatanova. "Crystal structure of the novel haloalkane dehalogenases." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1678. http://dx.doi.org/10.1107/s2053273314083211.

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Abstract (sommario):
Haloalkane dehalogenases (EC 3.8.1.5; HLDs) are microbial enzymes with catalytic activity for the hydrolytic conversion of xenobiotic and highly toxic halogenated aliphatic compounds to the corresponding alcohols. Biodegradation, biosensing, biocatalysis and cellular imaging are potentially practical applications for the HLDs. Two newly isolated and purified psychrophilic haloalkane dehalogenases, exhibiting interesting catalytic properties, DpcA from Psychrobacter cryohalolentis K5 and DmxA from Marinobacter sp. ELB17, were used for the crystallization experiments and structure determination.
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20

Fasevich, Yu N., and F. I. Rudnitsky. "Structure for interaction software process modules in the development of technological processes of cast." Litiyo i Metallurgiya (FOUNDRY PRODUCTION AND METALLURGY), no. 1 (April 10, 2019): 28–33. http://dx.doi.org/10.21122/1683-6065-2019-1-28-33.

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On the basis of the General criterion of quality the problem-oriented program technological algorithm for adjustment of technological parameters at the expense of reception of the characteristics investigated thermophysical properties of the profits providing the steady mode of imposing of hydrodynamic pressure before the beginning of crystallization of casting as a result of heating of profitable part of the interconnected elements «Gating system–casting» is developed. The software algorithm uses the means of computational experiment to determine the optimal values of the parameters in the de
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21

Bartocha, D., T. Wróbel, J. Szajnar, W. Adamczyk, W. Jamrozik, and M. Dojka. "The Influence of Casting Velocity on Structure of Al Continuous Ingots." Archives of Metallurgy and Materials 62, no. 3 (September 26, 2017): 1609–13. http://dx.doi.org/10.1515/amm-2017-0246.

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AbstractThe aim of paper was determination of influence of the casting velocity in horizontal continuous casting process on solidification phenomenon and next primary structure of aluminum ingots. In the range of studies was conducted the experiment concerning continuous casting of Al ingots with diameter 30 mm at velocity from 30 to 80 mm/min. Moreover was developed adequate to the real the virtual model of cooled water continuous casting mould, which was used in simulation of solidification process of Al continuous ingot, made in ANSYS Fluent software. In result was determined the influence
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22

Nawrocki, Jacek, Dariusz Szeliga, Krzysztof Kubiak, Hubert Matysiak, Maciej Motyka, and Waldemar Ziaja. "Influence of Process Parameters on Cooling Conditions in Nickel Base Superalloy Investment Casting." Key Engineering Materials 641 (April 2015): 124–31. http://dx.doi.org/10.4028/www.scientific.net/kem.641.124.

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The published results of the research on crystallization process of nickel base superalloy castings rarely take into account the effect of the wall thickness of the casting. Current study presents a comprehensive assessment of the impact of molten alloy temperature, mould temperature, mould thermal insulation and casting diameter on crystallization process of polycrystalline nickel base superalloy. Research was designed and conducted as an factorial experiment at two levels. Different diameter samples were designed and optimised by the numerical simulation of solidification process using ProCA
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23

Jin, Hai Peng, and Jia Rong Li. "Grain Competitive Growth Prediction during Solidification in Single Crystal Superalloy DD6 Castings." Materials Science Forum 783-786 (May 2014): 2148–53. http://dx.doi.org/10.4028/www.scientific.net/msf.783-786.2148.

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Abstract (sommario):
Competitive growth and grain selection were simulated and analyzed during the directional solidification with the conditions for single crystal superalloy DD6 castings using Commercial software, ProCAST. A three dimensional cellular automaton (CA) model coupled with finite-element (FE) heat flow calculation was applied. Measurements at the grain scale were made using the EBSD method at the cross sections in the starter block and grain selector at an interval of 4 mm from the chill surface. The grain characteristics and the rules of competition growth were obtained. The validity of the simulati
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24

Yan, Yuhong, Yong Liang, Abhijeet Roy, and Xinge Du. "Web Service Enabled Online Laboratory." International Journal of Web Services Research 6, no. 4 (October 2009): 75–93. http://dx.doi.org/10.4018/jwsr.2009071304.

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Online experimentation allows students from anywhere to operate remote instruments at any time. The current techniques constrain users to bind to products from one company and install client side software. We use Web services and Service Oriented Architecture to improve the interoperability and usability of the remote instruments. Under a service oriented architecture for online experiment system, a generic methodology to wrap commercial instruments using IVI and VISA standard as Web services is developed. We enhance the instrument Web services into stateful services so that they can manage us
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25

Hantke, Max F., Tomas Ekeberg, and Filipe R. N. C. Maia. "Condor: a simulation tool for flash X-ray imaging." Journal of Applied Crystallography 49, no. 4 (July 14, 2016): 1356–62. http://dx.doi.org/10.1107/s1600576716009213.

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Flash X-ray imaging has the potential to determine structures down to molecular resolution without the need for crystallization. The ability to accurately predict the diffraction signal and to identify the optimal experimental configuration within the limits of the instrument is important for successful data collection. This article introducesCondor, an open-source simulation tool to predict X-ray far-field scattering amplitudes of isolated particles for customized experimental designs and samples, which the user defines by an atomic or a refractive index model. The software enables researcher
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26

Yu, Jia, Xuan Chen, Xiaoliang Ma, Qingfei Song, Yukun Zhao, and Jiahao Cao. "Influence of Nanoparticles and Graphite Foam on the Supercooling of Acetamide." Journal of Nanomaterials 2014 (2014): 1–10. http://dx.doi.org/10.1155/2014/313674.

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Acetamide is a promising phase change materials (PCMs) for thermal storage,but the large supercooling during the freezing process has limited its application. In this study, we prepared acetamide-SiO2composites by adding nano-SiO2into acetamide. This modified PCM was then impregnated into the porous graphite foam forming acetamide-SiO2-graphite foam form-stable composites. These composites were subjected to melting-solidification cycles 50 times; the time-temperature curves were tracked and recorded during these cycles. The time-temperature curves showed that, for the acetamide containing 2 wt
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27

Zhao, Q. L., and J. Ding. "Nutrient removal and recovery from nitrogen- and phosphorus-laden waste streams in the form of struvite." Water Practice and Technology 6, no. 4 (December 1, 2011). http://dx.doi.org/10.2166/wpt.2011.0072.

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For the purpose of waste conversion into resources, removal and recovery of nutrients from different scenarios of nitrogen- and phosphorus-laden waste streams in the form of struvite (MgNH4PO4 6H2O, MAP) were presented in this paper. Nutrients-laden waste streams included urine, landfill leachate, industrial wastewater and the side streams in wastewater treatment plants etc. Batch experiments and software model were applied to obtain the optimal operational conditions. Several kinds of struvite reactors were introduced and compared. Under the optimal conditions, the recovery efficiency of NH4+
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28

Lwanyaga, Joseph Ddumba, Hillary Kasedde, and John Baptist Kirabira. "Effect of Temperature on Mineral Precipitation Sequence of Lake Katwe Brine during Evaporation." Current Journal of Applied Science and Technology, March 19, 2019, 1–12. http://dx.doi.org/10.9734/cjast/2019/v33i630104.

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The effect of temperature on the mineral precipitation sequence during evaporation of the natural brine from lake Katwe was studied. Laboratory isothermal evaporation experiments at temperatures (30, 40, 50, 60 and 70 ) using the original Katwe surface brine were undertaken. PHREEQC, a solubility software was used to predict the crystallization paths at the different study temperatures. The mineralogy and morphology of the precipitates were determined by the XRD and SEM techniques, respectively. The precipitation sequence majorly started with sulphates followed by chlorides and lastly carbonat
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29

Chumanov, I. V., A. N. Anikeev, and D. A. Zherebtsov. "Influence of dispersed particles of tungsten carbide on the microstructure of 12Kh18N10T steel obtained by centrifugal casting." Chernye Metally, December 28, 2020, 68–73. http://dx.doi.org/10.17580/chm.2020.12.10.

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The development of new technologies in various industries, such as fast neuron reactors, require a new level of operational properties from steels and raise the issues of resistance to neutron radiation, radiation swelling, embrittlement and creep, and the level of residual activation. The principal way to increase these properties is to adjust the chemical composition, and rearrange the crystal structure of the metal. The authors propose to achieve this by introducing finely dispersed particles into the melt and controlled by them to “reinforce” the crystal lattice, grinding the metal structu
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