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Articoli di riviste sul tema "Physicochemical model"

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Autore: Grafiati

Pubblicato: 8 giugno 2024

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1

Vincze, Anna, Gergő Dargó e György Tibor Balogh. "Cornea-PAMPA as an Orthogonal in Vitro Physicochemical Model of Corneal Permeability". Periodica Polytechnica Chemical Engineering 64, n. 3 (25 maggio 2020): 384–90. http://dx.doi.org/10.3311/ppch.15601.

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The present study was aimed to investigate the relationships between permeability and membrane retention values (logPe and MR) of the in vitro non-cellular permeability assay, corneal-PAMPA in comparison with experimental Caco-2 permeability data and calculated physicochemical properties (MW, clogP, clogD7.4 , TPSA). For the investigation, 50 structurally and physicochemically diverse drugs were selected and measured in PAMPA model optimized for corneal permeability. The results showed corneal-PAMPA model's orthogonality in terms of passive diffusion to the FDA approved Caco-2 as a gastrointestinal absorption model, while the comparison with physicochemical properties revealed trends between logPe , MR and the lipophilicity descriptors and TPSA.

2

Gronowitz, Mitchell E., Adam Liu, Qiang Qiu, C. Ron Yu e Thomas A. Cleland. "A physicochemical model of odor sampling". PLOS Computational Biology 17, n. 6 (11 giugno 2021): e1009054. http://dx.doi.org/10.1371/journal.pcbi.1009054.

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We present a general physicochemical sampling model for olfaction, based on established pharmacological laws, in which arbitrary combinations of odorant ligands and receptors can be generated and their individual and collective effects on odor representations and olfactory performance measured. Individual odor ligands exhibit receptor-specific affinities and efficacies; that is, they may bind strongly or weakly to a given receptor, and can act as strong agonists, weak agonists, partial agonists, or antagonists. Ligands interacting with common receptors compete with one another for dwell time; these competitive interactions appropriately simulate the degeneracy that fundamentally defines the capacities and limitations of odorant sampling. The outcome of these competing ligand-receptor interactions yields a pattern of receptor activation levels, thereafter mapped to glomerular presynaptic activation levels based on the convergence of sensory neuron axons. The metric of greatest interest is the mean discrimination sensitivity, a measure of how effectively the olfactory system at this level is able to recognize a small change in the physicochemical quality of a stimulus. This model presents several significant outcomes, both expected and surprising. First, adding additional receptors reliably improves the system’s discrimination sensitivity. Second, in contrast, adding additional ligands to an odor scene initially can improve discrimination sensitivity, but eventually will reduce it as the number of ligands increases. Third, the presence of antagonistic ligand-receptor interactions produced clear benefits for sensory system performance, generating higher absolute discrimination sensitivities and increasing the numbers of competing ligands that could be present before discrimination sensitivity began to be impaired. Finally, the model correctly reflects and explains the modest reduction in odor discrimination sensitivity exhibited by transgenic mice in which the specificity of glomerular targeting by primary olfactory neurons is partially disrupted.

3

Dashkevich, Zh V., V. E. Ivanov, T. I. Sergienko e B. V. Kozelov. "Physicochemical model of the auroral ionosphere". Cosmic Research 55, n. 2 (marzo 2017): 88–100. http://dx.doi.org/10.1134/s0010952517020022.

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4

Bryan, Nicholas D., Dominic M. Jones, Martin Appleton, Francis R. Livens, Malcolm N. Jones, Peter Warwick, Samantha King e Anthony Hall. "A physicochemical model of metal–humate interactions". Physical Chemistry Chemical Physics 2, n. 6 (2000): 1291–300. http://dx.doi.org/10.1039/a908722b.

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5

Dutta, Samrat, Poonam Singhal, Praveen Agrawal, Raju Tomer, Kritee, Khurana e B. Jayaram. "A Physicochemical Model for Analyzing DNA Sequences". Journal of Chemical Information and Modeling 46, n. 1 (gennaio 2006): 78–85. http://dx.doi.org/10.1021/ci050119x.

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6

Shapovalov, V. I. "Hot Target. Physicochemical Model of Reactive Sputtering". Technical Physics 64, n. 7 (luglio 2019): 926–32. http://dx.doi.org/10.1134/s1063784219070211.

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7

Linard, Y., H. Nonnet e T. Advocat. "Physicochemical model for predicting molten glass density". Journal of Non-Crystalline Solids 354, n. 45-46 (novembre 2008): 4917–26. http://dx.doi.org/10.1016/j.jnoncrysol.2008.07.013.

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8

Hauduc, Hélène, Imre Takács, Scott Smith, Anita Szabó, Sudhir Murthy, Glen T. Daigger e Mathieu Sperandio. "A Dynamic Physicochemical Model for Chemical Phosphorus Removal". Proceedings of the Water Environment Federation 2013, n. 4 (1 gennaio 2013): 172–83. http://dx.doi.org/10.2175/193864713813525473.

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9

Nemchinova, N. V., V. A. Bychinskii, S. S. Bel’skii e V. E. Klets. "Basic physicochemical model of carbothermic smelting of silicon". Russian Journal of Non-Ferrous Metals 49, n. 4 (agosto 2008): 269–76. http://dx.doi.org/10.3103/s1067821208040111.

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10

Zhang, Guo-Hua, e Kuo-Chih Chou. "Model for calculating physicochemical properties of aluminosilicate melt". High Temperature Materials and Processes 32, n. 2 (17 aprile 2013): 139–47. http://dx.doi.org/10.1515/htmp-2012-0043.

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AbstractIt is an important issue to calculate the physicochemical properties of aluminosilicate melt based on some known data. However, it is also a difficult issue to do so, especially for a multicomponent slag system since the available data are very limited due to the difficulty of experimental measurement at high temperature. In this paper, a method is suggested to resolve this problem, which is particularly significant. This model can be well used to estimate the electrical conductivity, viscosity, molar volume and surface tension of aluminosilicate melt.

11

Kopeikin, V. A. "Physicochemical model of tin behavior in weathering profiles". Geochemistry International 55, n. 4 (aprile 2017): 389–92. http://dx.doi.org/10.1134/s0016702917040048.

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12

Paillat, T., J. M. Cabaleiro, H. Romat e G. Touchard. "Flow electrification process: the physicochemical corroding model revisited". IEEE Transactions on Dielectrics and Electrical Insulation 16, n. 2 (aprile 2009): 359–63. http://dx.doi.org/10.1109/tdei.2009.4815164.

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13

Hauduc, H., I. Takács, S. Smith, A. Szabo, S. Murthy, G. T. Daigger e M. Spérandio. "A dynamic physicochemical model for chemical phosphorus removal". Water Research 73 (aprile 2015): 157–70. http://dx.doi.org/10.1016/j.watres.2014.12.053.

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14

Shapovalov, Viktor I., Vitaliy V. Karzin e Anastasia S. Bondarenko. "Physicochemical model for reactive sputtering of hot target". Physics Letters A 381, n. 5 (febbraio 2017): 472–75. http://dx.doi.org/10.1016/j.physleta.2016.11.028.

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15

Salamatov, Victor I., Oleg V. Salamatov e Daria Yu Zabolotnyaya. "To the Issue of Mathematical Modeling of the Red Mud Thickening Process". Defect and Diffusion Forum 410 (17 agosto 2021): 400–404. http://dx.doi.org/10.4028/www.scientific.net/ddf.410.400.

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The article focuses on the main mathematical modeling principles for engineering processes. The physical model of the red mud thickening process has been formed. The choice of mathematical model type has been described where the mathematical model represents the physicochemical character of the thickening process and allows estimating pulp water-yielding features at the stage of compression. Mathematical modeling of the engineering process, based on the studies of physicochemical patterns in its course and consideration of these patterns in the mathematical model, does not have certain disadvantages. Experimental data, used at the mathematical model formation where the mathematical model represents the physicochemical mechanism of the process, serve for their further analysis, physicochemical and mathematical interpretation. The mathematical model should be used as a method for detecting internal patterns in the process and for identification and quantitative assessment of its features.

16

Kulterer, Beatrice M., Maria N. Drozdovskaya, Audrey Coutens, Sébastien Manigand e Gwendoline Stéphan. "Physicochemical models: source-tailored or generic?" Monthly Notices of the Royal Astronomical Society 498, n. 1 (14 agosto 2020): 276–91. http://dx.doi.org/10.1093/mnras/staa2443.

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ABSTRACT Physicochemical models can be powerful tools to trace the chemical evolution of a protostellar system and allow to constrain its physical conditions at formation. The aim of this work is to assess whether source-tailored modelling is needed to explain the observed molecular abundances around young, low-mass protostars or if, and to what extent, generic models can improve our understanding of the chemistry in the earliest stages of star formation. The physical conditions and the abundances of simple, most abundant molecules based on three models are compared. After establishing the discrepancies between the calculated chemical output, the calculations are redone with the same chemical model for all three sets of physical input parameters. With the differences arising from the chemical models eliminated, the output is compared based on the influence of the physical model. Results suggest that the impact of the chemical model is small compared to the influence of the physical conditions, with considered time-scales having the most drastic effect. Source-tailored models may be simpler by design; however, likely do not sufficiently constrain the physical and chemical parameters within the global picture of star-forming regions. Generic models with more comprehensive physics may not provide the optimal match to observations of a particular protostellar system, but allow a source to be studied in perspective of other star-forming regions.

17

Liu, Huai Hui, Wen Long Ji, Peng Zhang e Chuan Wen Yao. "The Research of Wine Quality Evaluation Based on Multiple Linear Regression". Advanced Materials Research 756-759 (settembre 2013): 2489–93. http://dx.doi.org/10.4028/www.scientific.net/amr.756-759.2489.

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Through the establishment of evaluation model based on principal component analysis, select 8 principal components from nearly 30 indexes of wine grape. Then we establish the multiple linear regression model and analyse the association between physicochemical indexes of wine grape and wine, and the influence of physicochemical indexes of wine grape and wine on wine quality. Finally study whether we could use the physicochemical indexes to evaluate the wine quality.

18

Kopeikin, V. A. "Physicochemical Model of Scandium Behavior in a Weathering Profile". Geochemistry International 59, n. 3 (marzo 2021): 328–32. http://dx.doi.org/10.1134/s001670292103006x.

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19

Kopeikin, V. A. "Physicochemical Model of Silver Behavior in a Weathering Profile". Geochemistry International 58, n. 6 (giugno 2020): 746–52. http://dx.doi.org/10.1134/s001670292006004x.

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20

Luffer, Debra R., Wilhelm Ecknig e Milos Novotny. "Physicochemical model of retention for capillary supercritical fluid chromatography". Journal of Chromatography A 505, n. 1 (aprile 1990): 79–97. http://dx.doi.org/10.1016/s0021-9673(01)93069-9.

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21

Shende, Pravin, Renuka Chaphalkar, Kiran Deshmukh e R. S. Gaud. "Physicochemical Investigation of Engineered Nanosuspensions Containing Model Drug, Lansoprazole". Journal of Dispersion Science and Technology 37, n. 4 (2 giugno 2015): 504–11. http://dx.doi.org/10.1080/01932691.2015.1046553.

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22

Gupta, Suneel K., Mary Southam, Robert Gale e Stephen S. Hwang. "System functionality and physicochemical model of fentanyl transdermal system". Journal of Pain and Symptom Management 7, n. 3 (aprile 1992): S17—S26. http://dx.doi.org/10.1016/0885-3924(92)90049-n.

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23

Loveday, Simon M., Jason P. Hindmarsh, Lawrence K. Creamer e Harjinder Singh. "Physicochemical changes in a model protein bar during storage". Food Research International 42, n. 7 (agosto 2009): 798–806. http://dx.doi.org/10.1016/j.foodres.2009.03.002.

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24

Shapovalov, Viktor I. "Physicochemical model for reactive sputtering of a sandwich target". Journal of Applied Physics 133, n. 8 (28 febbraio 2023): 085301. http://dx.doi.org/10.1063/5.0128399.

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A non-isothermal physicochemical model of reactive sputtering is extended in this work. The new version is used in this work to simulate reactive sputtering of a sandwich target with two plates of different metals located on the same axis. The external plate contains cut-outs through which the internal plate is sputtered. The main independent process parameters are the reactive gas flow introduced into the vacuum chamber, the discharge current density, and the total area of cut-outs in the external plate. The physical model of the process is described by a system containing 14 algebraic equations. Only its numerical solution is possible, which allows studying the sputtering process in detail. The model can be used to estimate the conditions that ensure the deposition of a compound film in a real technological process. The model was used to analyze sputtering of a target with internal titanium and external tantalum plates in oxygen. Application of the model in particular cases of sputtering of single targets showed that it is adequate.

25

Kalisz, D. "Modeling Physicochemical Properties of Mold Slag". Archives of Metallurgy and Materials 59, n. 1 (1 marzo 2014): 149–55. http://dx.doi.org/10.2478/amm-2014-0024.

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Abstract This paper deals with the mathematical modeling of physicochemical properties of mold slag such as: viscosity, surface tension, temperature liquidus, basicity. Computer simulation of slag viscosity was made by the Nakamoto structural model. The effect of addition CaF2 to the mold slag was estimated by using of Urbain model. The results were compared with the results of the experiment. Surface tension for the basic slag composition: CaO - SiO2 - Al2O3 was calculated with using Nakamoto model. The results of calculations indicate that the content of the SiO2 lowers the surface tension, but increase the content of CaO and Al2O3 in the slag increases its value. Calcium fluoride (CaF2) reduces the viscosity of the slag. The increase in temperature reduces the viscosity of the slag, simultaneously increasing the surface tension.

26

He, Qinghai, Haowen Zhang, Tianhua Li, Xiaojia Zhang, Xiaoli Li e Chunwang Dong. "NIR Spectral Inversion of Soil Physicochemical Properties in Tea Plantations under Different Particle Size States". Sensors 23, n. 22 (10 novembre 2023): 9107. http://dx.doi.org/10.3390/s23229107.

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Soil fertility is vital for the growth of tea plants. The physicochemical properties of soil play a key role in the evaluation of soil fertility. Thus, realizing the rapid and accurate detection of soil physicochemical properties is of great significance for promoting the development of precision agriculture in tea plantations. In recent years, spectral data have become an important tool for the non-destructive testing of soil physicochemical properties. In this study, a support vector regression (SVR) model was constructed to model the hydrolyzed nitrogen, available potassium, and effective phosphorus in tea plantation soils of different grain sizes. Then, the successful projections algorithm (SPA) and least-angle regression (LAR) and bootstrapping soft shrinkage (BOSS) variable importance screening methods were used to optimize the variables in the soil physicochemical properties. The findings demonstrated that soil particle sizes of 0.25–0.5 mm produced the best predictions for all three physicochemical properties. After further using the dimensionality reduction approach, the LAR algorithm (R2C = 0.979, R2P = 0.976, RPD = 6.613) performed optimally in the prediction model for hydrolytic nitrogen at a soil particle size of 0.25~0.5. The models using data dimensionality reduction and those that used the BOSS method to estimate available potassium (R2C = 0.977, R2P = 0.981, RPD = 7.222) and effective phosphorus (R2C = 0.969, R2P = 0.964, RPD = 5.163) had the best accuracy. In order to offer a reference for the accurate detection of soil physicochemical properties in tea plantations, this study investigated the modeling effect of each physicochemical property under various soil particle sizes and integrated the regression model with various downscaling strategies.

27

Awasthi, Naveen. "MATHEMATICAL CORRELATION OF THERMOPHYSICAL PROPERTIES FOR ACETONITRILE + N, N -DIMETHYLFORMAMIDE FROM 293.15-313.15K BY JOUYBAN ACREE MODEL". International Journal of Engineering Applied Sciences and Technology 6, n. 6 (1 ottobre 2021): 119–23. http://dx.doi.org/10.33564/ijeast.2021.v06i06.016.

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Density, viscosity and refractive indices were measured for a weak interacting liquid formed by acetonitrile and N, N-dimethylformamide (DMF) at 293.15, 298.15,303.15,308.15,313.15K temperature and 1atm pressure over the whole concentration range (0.2142-0.9567). Jouyban Acree model was used to calculate the physicochemical properties. Results obtained from Jouyban Acree model for various physicochemical properties were compared and tested with experimental values. Standard deviation was calculated from calculated and experimental values at different temperatures for all the three physicochemical properties and used as a criterion for the success of correlation. Mathematical calculation by the Jouyban Acree model deals a fair agreement with experimental results for all the three physico-chemical properties.

28

Aurian-Blajeni, B., M. M. Boucher, A. G. Kimball e L. S. Robblee. "Physicochemical characterization of sputtered iridium oxide". Journal of Materials Research 4, n. 2 (aprile 1989): 440–46. http://dx.doi.org/10.1557/jmr.1989.0440.

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In the present work we characterize sputtered iridium oxide films (SIROF) by differential scanning calorimetry (DSC), x-ray, and impedance spectroscopies. We show that a crystallization transition occurs at ca, 230 °C, and suggest a bilayer model for the sputtered film. The transition results in a crystalline mixture of iridium metal and iridium oxide; this suggests a decomposition-crystallization process of the type 2Ir2O3 ⇉ Ir + 3IrO2. In the bilayer model proposed by us, the layer closer to the substrate would reflect the combined influence of the sputtering conditions and of the substrate, while the properties of the second layer depend on the sputtering conditions alone. The bilayer structure is supported by results obtained by impedance spectroscopy.

29

F. J, Ogbozige, Toko M. A e Arawo C.C. "Multiple Linear Regression (MLR) Model: A Tool for Water Quality Interpretation". Momona Ethiopian Journal of Science 12, n. 1 (30 aprile 2020): 123–34. http://dx.doi.org/10.4314/mejs.v12i1.8.

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The lack of standard water analysis equipment as well as inadequate trained personnel especially in the developing countries has discouraged many researchers in such countries to execute water quality researches. Hence, this paper presents developed mathematical relationship among some physicochemical parameters in order to aid the determination of the concentrations of certain parameters with the use of minimal equipment. This was achieved by weekly analyzing 7 physicochemical parameters of two sources of potable water (tap water and borehole water) stored in different containers for a period of 6 weeks using standard methods. The storage containers used were black plastic tank, blue plastic tank, green plastic tank, coated steel metal tank, uncoated steel metal tank and clay pot. The parameters examined were turbidity, electrical conductivity (EC), pH, alkalinity, chloride ion (Cl-), dissolved oxygen (DO) and total hardness. Results showed that the relationship between electrical conductivity (EC), alkalinity (Alk), total hardness (TH) and chloride ion (Cl-) is given as; EC = -224.8066493 + 6.244028022(Alk) + 0.28204735(TH) + 0.000518108(Cl-). A programing language was written on the models using Visual Basic.Net (VB.Net) version 2018. Keywords: Water, Physicochemical, Parameters, Function, Equation.

30

Peyrow Hedayati, Davood, Gita Singh, Michael Kucher, Tony D. Keene e Robert Böhm. "Physicochemical Modeling of Electrochemical Impedance in Solid-State Supercapacitors". Materials 16, n. 3 (31 gennaio 2023): 1232. http://dx.doi.org/10.3390/ma16031232.

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Solid-state supercapacitors (SSCs) consist of porous carbon electrodes and gel-polymer electrolytes and are used in novel energy storage applications. The current study aims to simulate the impedance of SSCs using a clearly defined equivalent circuit (EC) model with the ultimate goal of improving their performance. To this end, a conventional mathematical and a physicochemical model were adapted. The impedance was measured by electrochemical impedance spectroscopy (EIS). An EC consisting of electrical elements was introduced for each modeling approach. The mathematical model was purely based on a best-fit method and utilized an EC with intuitive elements. In contrast, the physicochemical model was motivated by advanced theories and allowed meaningful associations with properties at the electrode, the electrolyte, and their interface. The physicochemical model showed a higher approximation ability (relative error of 3.7%) due to the interface impedance integration in a more complex circuit design. However, this model required more modeling and optimization effort. Moreover, the fitted parameters differed from the analytically calculated ones due to uncertainties in the SSC’s microscale configuration, which need further investigations. Nevertheless, the results show that the proposed physicochemical model is promising in simulating EIS data of SSCs with the additional advantage of utilizing well-reasoned property-based EC elements.

31

Hellriegel, Jan, Steffi Günther, Ingo Kampen, Antonio Bolea Albero, Arno Kwade, Markus Böl e Rainer Krull. "A Biomimetic Gellan-Based Hydrogel as a Physicochemical Biofilm Model". Journal of Biomaterials and Nanobiotechnology 05, n. 02 (2014): 83–97. http://dx.doi.org/10.4236/jbnb.2014.52011.

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Fujitsuka, Y., e S. Takada. "Predictin of protein 3D structures : Evolutionary information and physicochemical model". Seibutsu Butsuri 40, supplement (2000): S20. http://dx.doi.org/10.2142/biophys.40.s20_4.

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33

Maksimov, A. P. "A physicochemical model for deep degassing of water-rich magma". Journal of Volcanology and Seismology 2, n. 5 (ottobre 2008): 356–63. http://dx.doi.org/10.1134/s0742046308050059.

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Krupenin, M. T., A. B. Kol’tsov e A. V. Maslov. "Physicochemical model of the formation of Satka sparry magnesite deposits". Doklady Earth Sciences 452, n. 2 (ottobre 2013): 1020–22. http://dx.doi.org/10.1134/s1028334x13100048.

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O’Neill, David P., e Peter A. Robbins. "A mechanistic physicochemical model of carbon dioxide transport in blood". Journal of Applied Physiology 122, n. 2 (1 febbraio 2017): 283–95. http://dx.doi.org/10.1152/japplphysiol.00318.2016.

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A number of mathematical models have been produced that, given the Pco2 and Po2 of blood, will calculate the total concentrations for CO2 and O2 in blood. However, all these models contain at least some empirical features, and thus do not represent all of the underlying physicochemical processes in an entirely mechanistic manner. The aim of this study was to develop a physicochemical model of CO2 carriage by the blood to determine whether our understanding of the physical chemistry of the major chemical components of blood together with their interactions is sufficiently strong to predict the physiological properties of CO2 carriage by whole blood. Standard values are used for the ionic composition of the blood, the plasma albumin concentration, and the hemoglobin concentration. All Km values required for the model are taken from the literature. The distribution of bicarbonate, chloride, and H+ ions across the red blood cell membrane follows that of a Gibbs-Donnan equilibrium. The system of equations that results is solved numerically using constraints for mass balance and electroneutrality. The model reproduces the phenomena associated with CO2 carriage, including the magnitude of the Haldane effect, very well. The structural nature of the model allows various hypothetical scenarios to be explored. Here we examine the effects of 1) removing the ability of hemoglobin to form carbamino compounds; 2) allowing a degree of Cl− binding to deoxygenated hemoglobin; and 3) removing the chloride (Hamburger) shift. The insights gained could not have been obtained from empirical models. NEW & NOTEWORTHY This study is the first to incorporate a mechanistic model of chloride-bicarbonate exchange between the erythrocyte and plasma into a full physicochemical model of the carriage of carbon dioxide in blood. The mechanistic nature of the model allowed a theoretical study of the quantitative significance for carbon dioxide transport of carbamino compound formation; the putative binding of chloride to deoxygenated hemoglobin, and the chloride (Hamburger) shift.

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Westerman, P. W. "Physicochemical characterization of a model digestive mixture by 2H NMR." Journal of Lipid Research 36, n. 12 (dicembre 1995): 2478–92. http://dx.doi.org/10.1016/s0022-2275(20)41085-5.

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Omron, Edward M., e Rodney M. Omron. "A Physicochemical Model of Crystalloid Infusion on Acid-Base Status". Journal of Intensive Care Medicine 25, n. 5 (10 luglio 2010): 271–80. http://dx.doi.org/10.1177/0885066610371633.

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38

Kopeikin, Valery A. "A PHYSICOCHEMICAL MODEL OF THORIUM BEHAVIOUR IN THE WEATHERING PROFILE". Вестник ВГУ Серия Геология, n. 3 (2022): 20–28. http://dx.doi.org/10.17308/geology/1609-0691/2022/3/20-28.

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Yao, Hui, Qingli Dai e Zhanping You. "Molecular dynamics simulation of physicochemical properties of the asphalt model". Fuel 164 (gennaio 2016): 83–93. http://dx.doi.org/10.1016/j.fuel.2015.09.045.

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Westesen, Kirsten, e Thomas Wehler. "Physicochemical Characterization of a Model Intravenous Oil-in-Water Emulsion". Journal of Pharmaceutical Sciences 81, n. 8 (agosto 1992): 777–86. http://dx.doi.org/10.1002/jps.2600810812.

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Lynn, David G., e Stephen C. Meredith. "Review: Model Peptides and the Physicochemical Approach to β-Amyloids". Journal of Structural Biology 130, n. 2-3 (giugno 2000): 153–73. http://dx.doi.org/10.1006/jsbi.2000.4287.

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Pastuszak, Katarzyna, Elżbieta Chmiel, Bożena Kowalczyk, Jacek Tarasiuk, Małgorzata Jurak e Marta Palusińska-Szysz. "Physicochemical Characteristics of Model Membranes Composed of Legionella gormanii Lipids". Membranes 13, n. 3 (20 marzo 2023): 356. http://dx.doi.org/10.3390/membranes13030356.

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Abstract (sommario):

Legionella gormanii is one of the species belonging to the genus Legionella, which causes atypical community-acquired pneumonia. The most important virulence factors that enable the bacteria to colonize the host organism are associated with the cell surface. Lipids building the cell envelope are crucial not only for the membrane integrity of L. gormanii but also by virtue of being a dynamic site of interactions between the pathogen and the metabolites supplied by its host. The utilization of exogenous choline by the Legionella species results in changes in the lipids’ composition, which influences the physicochemical properties of the cell surface. The aim of this study was to characterize the interfacial properties of the phospholipids extracted from L. gormanii cultured with (PL+choline) and without exogenous choline (PL−choline). The Langmuir monolayer technique coupled with the surface potential (SPOT) sensor and the Brewster angle microscope (BAM) made it possible to prepare the lipid monomolecular films (model membranes) and study their properties at the liquid/air interface at 20 °C and 37 °C. The results indicate the effect of the choline addition to the bacterial medium on the properties of the L. gormanii phospholipid membranes. The differences were revealed in the organization of monolayers, their molecular packing and ordering, degree of condensation and changes in the components’ miscibility. These findings are the basis for further research on the mechanisms of adaptation of this pathogen, which by changing the native composition and properties of lipids, bypasses the action of antimicrobial compounds and avoids the host immune attack.

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Korobko, E. V. "Physicochemical Aspects of Forming Electrorheological Fluids". International Journal of Modern Physics B 13, n. 14n16 (30 giugno 1999): 1739–49. http://dx.doi.org/10.1142/s0217979299001740.

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Based on the experimental results and physical representations fo ER-fluids as a "poor" dielectric, a physical model of the ER-effect is elaborated and the main approaches to creation of electrosensitive fluids with desired properties are determined.

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DMITRIEV, ANDREY N. "DEVELOPMENT OF MATHEMATICAL MODEL OF BLAST FURNACE SMELTING". New Mathematics and Natural Computation 03, n. 03 (novembre 2007): 399–407. http://dx.doi.org/10.1142/s1793005707000860.

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Abstract (sommario):

The solution of a problem of mathematical description of heat exchange, gas dynamics and the physicochemical phenomena taking place in blast furnace, and some of its application for the study of processes, and defining reduction of metals from multicomponent iron ores are considered.

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Wolf, Matthew B. "Peritoneal physicochemical transport mechanisms: Hypotheses, models and controversies". Peritoneal Dialysis International: Journal of the International Society for Peritoneal Dialysis 41, n. 4 (30 marzo 2021): 413–16. http://dx.doi.org/10.1177/08968608211002414.

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This study answers criticisms by Waniewski et al. of the recent paper by Wolf on peritoneal transport kinetic models. Their criticisms centre on the accuracy of the data used for model fits, the hypothesis presented, which involves changes in glucose membrane parameters at high peritoneal glucose concentration and on the necessary techniques required to achieve accurate model parameter estimation. In response, this article shows that (1) the mean values previously captured from graphical depictions of Heimburger et al. are not different than those captured from the recent Waniewski et al. graphs, (2) a much simpler hypothesis is proposed, which centres on intraperitoneal pressure-induced lymph flow during the dialysis dwell and (3) the finding that the new model predictions, with only two constant parameter values, as estimated by the Powell algorithm, give a closer fit than the Waniewski model, which uses many time-varying parameters. The current findings again bring into question of the validity of their vasodilation hypothesis, leading to transient changes in capillary surface area during the dwell.

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Kadyan, Anu, Yashika Gandhi e Siddharth Pandey. "Probing interactions within liquid media via a model H-bond donor–acceptor mixture". Physical Chemistry Chemical Physics 21, n. 9 (2019): 4791–801. http://dx.doi.org/10.1039/c8cp07733a.

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Kocherginsky, Nikolai, e Martin Gruebele. "Mechanical approach to chemical transport". Proceedings of the National Academy of Sciences 113, n. 40 (19 settembre 2016): 11116–21. http://dx.doi.org/10.1073/pnas.1600866113.

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Abstract (sommario):

Nonequilibrium thermodynamics describes the rates of transport phenomena with the aid of various thermodynamic forces, but often the phenomenological transport coefficients are not known, and the description is not easily connected with equilibrium relations. We present a simple and intuitive model to address these issues. Our model is based on Lagrangian dynamics for chemical systems with dissipation, so one may think of the model as physicochemical mechanics. Using one main equation, the model allows a systematic derivation of all transport and equilibrium equations, subject to the limitation that heat generated or absorbed in the system must be small for the model to be valid. A table with all major examples of transport and equilibrium processes described using physicochemical mechanics is given. In equilibrium, physicochemical mechanics reduces to standard thermodynamics and the Gibbs–Duhem relation, and we show that the First and Second Laws of thermodynamics are satisfied for our system plus bath model. Out of equilibrium, our model provides relationships between transport coefficients and describes system evolution in the presence of several simultaneous external fields. The model also leads to an extension of the Onsager–Casimir reciprocal relations for properties simultaneously transported by many components.

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Shin, Hyun Kil. "Electron configuration-based neural network model to predict physicochemical properties of inorganic compounds". RSC Advances 10, n. 55 (2020): 33268–78. http://dx.doi.org/10.1039/d0ra05873d.

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Gunaratne, Gonzalez Viejo, Gunaratne, Torrico, Dunshea e Fuentes. "Chocolate Quality Assessment Based on Chemical Fingerprinting Using Near Infra-red and Machine Learning Modeling". Foods 8, n. 10 (20 settembre 2019): 426. http://dx.doi.org/10.3390/foods8100426.

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Chocolates are the most common confectionery and most popular dessert and snack across the globe. The quality of chocolate plays a major role in sensory evaluation. In this study, a rapid and non-destructive method was developed to predict the quality of chocolate based on physicochemical data, and sensory properties, using the five basic tastes. Data for physicochemical analysis (pH, Brix, viscosity, and color), and sensory properties (basic taste intensities) of chocolate were recorded. These data and results obtained from near-infrared spectroscopy were used to develop two machine learning models to predict the physicochemical parameters (Model 1) and sensory descriptors (Model 2) of chocolate. The results show that the models developed had high accuracy, with R = 0.99 for Model 1 and R = 0.93 for Model 2. The thus-developed models can be used as an alternative to consumer panels to determine the sensory properties of chocolate more accurately with lower cost using the chemical parameters.

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Xia, Hu, Bo Yu, Yanting Yang, Yan Wan, Liang Zou, Lianxin Peng, Lidan Lu e Yuanhang Ren. "The Quality Evaluation of Highland Barley and Its Suitability for Chinese Traditional Tsampa Processing". Foods 13, n. 4 (18 febbraio 2024): 613. http://dx.doi.org/10.3390/foods13040613.

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The physicochemical traits of highland barley prominently affect the quality of Tsampa. To find out the relevance between the physicochemical properties of raw material and the texture parameters of processed products, twenty-five physicochemical traits and ten quality parameters for seventy-six varieties of highland barley were measured and analyzed. The results showed that there was a significant difference between the physicochemical indexes for highland barleys of various colors. The dark highland barley generally has more fat, protein, total dietary fiber, phenolic, Mg, K, Ca, and Zn and less amylose, Fe, Cu, and Mo than light colored barley. Then, these highland barleys were made into Tsampa. A comprehensive quality evaluation model based on the color and texture parameters of Tsampa was established through principal component analysis. Then, cluster analysis was used to classify the tested samples into three edible quality grades predicated on the above evaluation model. At last, the regression analysis was applied to establish a Tsampa quality predictive model according to the physicochemical traits of the raw material. The results showed that amylose, protein, β-Glucan, and a* and b* could be used to predict the comprehensive quality of Tsampa. The predicted results indicated that 11 of 14 validated samples were consistent with the actual quality, and the accuracy was above 78.57%. Our study built the approach of the appropriate processing varieties evaluation. It may provide reference for processing specific highland barley.