Littérature scientifique sur le sujet « (Macro) molecular assemblies »

Créez une référence correcte selon les styles APA, MLA, Chicago, Harvard et plusieurs autres

Choisissez une source :

Consultez les listes thématiques d’articles de revues, de livres, de thèses, de rapports de conférences et d’autres sources académiques sur le sujet « (Macro) molecular assemblies ».

À côté de chaque source dans la liste de références il y a un bouton « Ajouter à la bibliographie ». Cliquez sur ce bouton, et nous générerons automatiquement la référence bibliographique pour la source choisie selon votre style de citation préféré : APA, MLA, Harvard, Vancouver, Chicago, etc.

Vous pouvez aussi télécharger le texte intégral de la publication scolaire au format pdf et consulter son résumé en ligne lorsque ces informations sont inclues dans les métadonnées.

Articles de revues sur le sujet "(Macro) molecular assemblies":

1

HOTANI, Hirokazu. « Macro-and Bio-molecular Assemblies ». Kobunshi 44, no 1 (1995) : 1. http://dx.doi.org/10.1295/kobunshi.44.1.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
2

Agarwal, Gunjan, Adam W. Smith et Blain Jones. « Discoidin domain receptors : Micro insights into macro assemblies ». Biochimica et Biophysica Acta (BBA) - Molecular Cell Research 1866, no 11 (novembre 2019) : 118496. http://dx.doi.org/10.1016/j.bbamcr.2019.06.010.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
3

Campbell, Jack, et Anna S. Vikulina. « Layer-By-Layer Assemblies of Biopolymers : Build-Up, Mechanical Stability and Molecular Dynamics ». Polymers 12, no 9 (28 août 2020) : 1949. http://dx.doi.org/10.3390/polym12091949.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Rapid development of versatile layer-by-layer technology has resulted in important breakthroughs in the understanding of the nature of molecular interactions in multilayer assemblies made of polyelectrolytes. Nowadays, polyelectrolyte multilayers (PEM) are considered to be non-equilibrium and highly dynamic structures. High interest in biomedical applications of PEMs has attracted attention to PEMs made of biopolymers. Recent studies suggest that biopolymer dynamics determines the fate and the properties of such PEMs; however, deciphering, predicting and controlling the dynamics of polymers remains a challenge. This review brings together the up-to-date knowledge of the role of molecular dynamics in multilayers assembled from biopolymers. We discuss how molecular dynamics determines the properties of these PEMs from the nano to the macro scale, focusing on its role in PEM formation and non-enzymatic degradation. We summarize the factors allowing the control of molecular dynamics within PEMs, and therefore to tailor polymer multilayers on demand.
4

Scott, Ridgway, Mercedes Boland, Kristina Rogale et Ariel Fernández. « Continuum equations for dielectric response to macro-molecular assemblies at the nano scale ». Journal of Physics A : Mathematical and General 37, no 41 (30 septembre 2004) : 9791–803. http://dx.doi.org/10.1088/0305-4470/37/41/012.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
5

De Graeve, Fabienne, et Florence Besse. « Neuronal RNP granules : from physiological to pathological assemblies ». Biological Chemistry 399, no 7 (27 juin 2018) : 623–35. http://dx.doi.org/10.1515/hsz-2018-0141.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Abstract Neuronal cells rely on macro- and micro-cellular compartmentalization to rapidly process information, and respond locally to external stimuli. Such a cellular organization is achieved via the assembly of neuronal ribonucleoprotein (RNP) granules, dynamic membrane-less organelles enriched in RNAs and associated regulatory proteins. In this review, we discuss how these high-order structures transport mRNAs to dendrites and axons, and how they contribute to the spatio-temporal regulation of localized mRNA translation. We also highlight how recent biophysical studies have shed light on the mechanisms underlying neuronal RNP granule dynamic assembly, remodeling and maturation, in both physiological and pathological contexts.
6

Sorokin, A., Yu Kuzina, G. Sorokin et N. Denisova. « MODELING OF HEAT AND MASS TRANSFER PROCESSES IN FUEL ASSEMBLIES OF FAST REACTORS AS PART OF THE CHANNEL-BY-CHANNEL CALCULATION METHOD. GENERALIZED EXCHANGE CHARACTERISTICS FOR SINGLE-PHASE FLOWS OF LIQUID METALS ». PROBLEMS OF ATOMIC SCIENCE AND TECHNOLOGY. SERIES : NUCLEAR AND REACTOR CONSTANTS 2020, no 2 (26 juin 2020) : 104–30. http://dx.doi.org/10.55176/2414-1038-2020-2-104-130.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
The results of experimental and computational-theoretical studies of the transverse interchannel molecular-turbulent and convective exchange of mass, momentum and energy are presented in the framework of the channel-by-channel model of thermohydraulic calculation of fuel assemblies of fuel elements of the fast reactors core with liquid metal coolants for nominal, non-nominal and accident conditions. A complete system of inter-channel exchange coefficients is obtained for closing the system of macro-transport equations in a wide range of parameters, taking into account the fuel assemblies deformation. It was shown that transverse convective exchange in fuel assemblies with spacing by wire wrapped is caused by a deficit of static pressure in the region behind winding at the surface of the rod, and the high intensity of molecular-turbulent exchange in tight bundles is explained by the appearance of secondary flows in cells. The heat exchange between cells due to the thermal conductivity of the fuel rods is determined by the thermal modeling parameter of the fuel rods for the first harmonic. The effect of wire wrapped on the flow can be modeled by periodically changing hydraulic resistance to the transverse coolant flow. The integral model of convective inter-channel exchange in fuel assemblies with distance wire wrap is substantiated. Taking into account the centrifugal effect and calculating the interchannel exchange coefficients taking into account the local distribution of parameters allows us to clarify the thermohydraulic characteristics in the shaped bundles. For the characteristic parameters of fuel assemblies of fast reactors (Pe ≥ 50; S/d ≥ 1,1; h/d ≤ 30; ε1 < 1) the predominant is convective inter-channel exchange due to the spacing of fuel rods by wire wrapped. For highly heat-conducting fuel compositions, a significant contribution to the inter-channel heat exchange can be made by the exchange due to the thermal conductivity of the fuel elements. At a low flow rate (Pe <50), the contribution of molecular-turbulent exchange and heat exchange increases due to the thermal conductivity of the fuel rods.
7

Sarikaya, Mehmet. « Organic-inorganic interfaces in biological composites ». Proceedings, annual meeting, Electron Microscopy Society of America 52 (1994) : 426–27. http://dx.doi.org/10.1017/s0424820100169869.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Biological hard tissues, such as bone, dentin, and mollusk shells, are composite materials incorporating an organic matrix and inorganic crystallites in a complex nano- and micro-architectural forms. The interest of physical sciences in biological composites stems from the fact that these materials are self assembled in an hierarchical fashion from molecular to macro scale, and that the resulting assemblies have properties that far exceed those of current synthetic materials of similar elemental or phase compositions. The objective of biomimetics is to either mimick structures of biological composites, biomimicking, or use the synthesis methodologies of organisms to produce new materials, bioduplication. In a biocomposite, substructure and crystallography of the inorganic component are highly ordered, its morphology and shape are species specific; these are all thought to be regulated by the organic matrix. The understanding of ructural relationship between the organic and ceramic components of a biological composite, therefore, is fundamental both to the understanding of mechanisms of biomineralization and to biomimetic design and synthesis of novel engineering materials. These issues will be addressed in the present paper.
8

Xin, Ting-Ting, Tongqi Yuan, Shu Xiao et Jing He. « Synthesis of cellulose-graft-poly(methyl methacrylate) via homogeneous ATRP ». BioResources 6, no 3 (20 juin 2011) : 2941–53. http://dx.doi.org/10.15376/biores.6.3.2941-2953.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Cellulose-graft-poly(methylmethacrylate) (cellulose-g-PMMA) copolymers were prepared by homogeneous atom transfer radical polymerization (ATRP) under mild conditions, in an attempt to develop an efficient way to modify the surface of cellulose. A cellulose macro-initiator was successfully synthesized by direct homogeneous acylation of cellulose with 2-bromopropionyl bromide in a room temperature ionic liquid (RTIL), 1-allyl-3-methylimidazolium chloride ([AMIM]Cl). Copolymers were obtained via ATRP of methyl methacrylate (MMA) with CuBr/penta-methyldiethylenetriamine (PMDETA) as catalyst and N,N-dimethyl-formamide (DMF) as solvent without homopolymer byproduct. The grafting copolymers were characterized by 1H-NMR, 13C-NMR, and FTIR. The grafted PMMA chain was obtained by the hydrolysis of the cellulose backbone and analyzed by GPC and TGA measurements. In addition, the assemblies or aggregates formed by cellulose-g-PMMA copolymers were studied by means of TEM and AFM. The results indicated that the graft polymerization occurred from the cellulose backbone and the obtained copolymers had grafted polymer chains with well-controlled molecular weight and polydispersity; the cellulose graft copolymer in solution could aggregate and self-assemble into sphere-like structures.
9

Mongwaketsi, Nametso, Noluthando Mayedwa, Nolubabalo Matinise, Kasinathan Kaviyarasu, Raymond Sparrow et Malik Maaza. « Polymer matrices for porphyrin nanorods incorporation. Artificial light harvesting applications ». Journal of Porphyrins and Phthalocyanines 22, no 04 (avril 2018) : 303–17. http://dx.doi.org/10.1142/s1088424618500268.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
This contribution is focused on the supramolecular approach in exploration of aggregates formation by two different porphyrins wherein self-assembly plays an important role. Spectroscopic and microscopic studies usually provide information on investigations regarding the effects of various parameters on the fabrication of porphyrin aggregates by ionic self- assembly. Various properties of ionic self-assembled porphyrin nanorods have been investigated, including nonlinear optical (NLO) properties, and these studies were influenced by the fact that porphyrins have great thermal stability and extended [Formula: see text]conjugated macro cyclic rings which give them large nonlinear optical effects. The major reasons limiting porphyrin nanorods photonic applications include the difficulty of handling them in liquid solutions and their degradation with long exposure to light. This necessitates the use of appropriate solid matrices to host the nanorods. Inspired by the precise organization and orientation of the chromophores in natural systems, attention has been on the design of nanometer sized chromophoric assemblies, which may find applications in the field of molecular photonics. However, it is challenging to design multicomponent systems with controlled structural arrangement at the molecular level. A lack of precise arrangement may have a negative impact on the construction of an efficient artificial light harvesting system. This review is focused on exploring the possibility of incorporating nanorods into polymer matrices to overcome the limiting factors of applications of these materials in photonic devices.
10

Pérez-García, Lluïsa, et David B. Amabilino. « Spontaneous resolution, whence and whither : from enantiomorphic solids to chiral liquid crystals, monolayers and macro- and supra-molecular polymers and assemblies ». Chem. Soc. Rev. 36, no 6 (2007) : 941–67. http://dx.doi.org/10.1039/b610714a.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.

Thèses sur le sujet "(Macro) molecular assemblies":

1

Liu, Yun 1973. « Studies of structure and dynamics of biological macro-molecular assemblies by low angle neutron diffraction and inelastic X-ray scattering ». Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/34438.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Nuclear Engineering, 2005.
Includes bibliographical references (leaves 141-148).
This thesis is organized into two parts which focus on the studies of the dynamic structure factor and static inter-particle structure factor respectively. In the first part, we have measured and analyzed the dynamic structure factors of aligned 40 wt% calfthymus Na-DNA molecules with the inelastic X-ray scattering (IXS). In the second part, we have developed a new efficient method to calculate the inter-particle structure factor in a simple fluid interacting with a two-Yukawa term potential and apply it to study the kinetic phase diagram and analyze the small angle neutron scattering (SANS) intensity distribution of colloidal systems. By analyzing the dynamic structure factor measured with IXS, the phonon dispersion relations of 40 wt% calf-thymus Na-DNA with different counterion atmosphere are constructed. It is found that the addition of extra counterions will increase phonon damping at small scattering wave vector, Q. At the intermediate Q range (12.5 nm- < Q < 22.5 nm-l), it may even overdamp the phonon so that the phonon feature can not be extracted from the IXS spectra. The measured sound speed is 3100m/s, which is much higher than the sound speed, - 1800m/s, obtained by Brillouin light scattering. This difference shows that the atoms of DNA molecules are closely coupled to the surrounding water molecules.
(cont.) Therefore, the different dynamic response of water molecules in different Q range affects the overall dynamic response of the hydrated DNA molecules. By analyzing the IXS spectra, the intermediate scattering function is extracted and shows a clear two step relaxation with the fast relaxation time ranging from 0.1 to 4 ps and the slow relaxation time ranging from 2 to 800 ps. In order to understand the phase behavior and the interactive potential of a colloidal system, we have developed a new and efficient method to calculate the inter-particle structure factor of a simple fluid interacting with a two-Yukawa term potential. We have applied this method to study the kinetic phase diagram of a system interacting with a short-range attraction and a long-range repulsion. A new glass phase, cluster glass, is determined through the theoretical analysis by the mode coupling theory (MCT). The SANS intensity distribution of cytochrome C protein molecules in solutions is measured and analyzed with our method. A sharp rising intensity at very low Q value has been consistently observed, which is named zero-Q peak. The existence of the zero-Q peak implies that a weak long-range attraction between protein molecules in solutions exists and has a even longer range than the electrostatic repulsion.
by Yun Liu.
Ph.D.
2

Ribeiro, Cédric. « Assemblages (macro) moléculaires à base de complexe intra et/ou intermoléculaire de CBPQT4+, X- ». Electronic Thesis or Diss., Centrale Lille Institut, 2023. http://www.theses.fr/2023CLIL0018.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
L’association de la science des polymères et de la chimie supramoléculaire a conduit au développement de matériaux polymères supramoléculaires dotés de propriétés structurelles, mécaniques et fonctionnelles atypiques. Ces matériaux sont d’ores et déjà exploités dans divers domaines d’applications, tels que les matériaux auto réparants,l’ingénieur tissulaire ou encore la libération contrôlée de principes actifs. Ainsi, la chimie supramoléculaire s’est avérée être un outil puissant pour moduler les propriétés des matériaux en contrôlant le caractère dynamique des interactions supramoléculaires via l’application de stimuli adaptés. Les travaux réalisés dans le cadre de cette thèse s’inscrivent dans ce contexte et avaient pour principal objectif de développer de nouveaux assemblages (macro)moléculaires à base de complexes intra- et inter-moléculaires de CBPQT4+. Pour ce faire, un nouveau dérivé CBPQT4+-Fu intégrant une unité furane connectée de manière covalente à la partie hôte CBPQT4+ a été développé.Ce dérivé se présente en milieu aqueux sous une conformation auto-incluse dans laquelle l’unité furane au sein de la cavité témoigne d’une extrêmement faible réactivité(Diels-Alder) vis-à-vis de diènophiles. Néanmoins, celle-ci peut être libérée en ajoutant une molécule invitée (Naphtalène) présentant une forte affinité pour le macrocycle.Cette synergie, mise en évidence à l’échelle moléculaire, permettant de déclencher la réaction de Diels-Alder par la formation d’un complexe intramoléculaire a ensuite été exploitée pour concevoir divers hydrogels physiques ou réticulés physiquement et chimiquement
The combination of polymer science and supramolecular chemistry has led to thedevelopment of supramolecular polymer materials with unusual structural, mechanical,and functional properties. These materials have already been exploited in manyapplications, including self-repairing materials, tissue engineering, and the controlledrelease of active ingredients. Supramolecular chemistry has proved to be a powerful toolfor modulating the properties of materials by controlling the dynamic nature ofsupramolecular interactions using appropriate stimuli. The work carried out within theframework of this thesis falls within this context, and its main objective was to developnew (macro)molecular assemblies based on intra- and inter-molecular CBPQT4+complexes. To this end, a new CBPQT4+-Fu derivative was developed, integrating a furanunit covalently connected to the CBPQT4+ host moiety. This derivative presents itself inaqueous media a self-included conformation in which the furan unit within the cavityexhibits extremely low reactivity (Diels-Alder) towards dienophiles. However, this can bereleased by adding a guest molecule (naphthalene) with a strong affinity for themacrocycle. This synergy, demonstrated at the molecular scale, enabling the Diels-Alderreaction to be triggered by forming an intramolecular complex, was then exploited to design various physical and chemically cross-linked hydrogels
3

Dreyfus, Tom. « Modélisation Multi-échelle et Analyse d'Assemblages Macro-moléculaires Ambigus, avec Applications au Complexe du Pore Nucléaire ». Phd thesis, Université de Nice Sophia-Antipolis, 2011. http://tel.archives-ouvertes.fr/tel-00702403.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
La génomique structurale a donnée accès à un nombre remarquable d'informations sur le protéome. De nature essentiellement combinatoire---il apparaît que certaines protéines interagissent en complexe, elles gagnent à être complémentées par des modèles tridimensionnels pour étendre la connaissance jusqu'au niveau structural. Récemment, de tels modèles ont été reconstruits pour le pore nucléaire, en intégrant diverses données biophysiques et biochimiques. Cependant, la nature qualitative de ces modèles empêche une complète synergie entre ceux-ci et les données expérimentales. Cette thèse propose trois développements répondant à ces limitations. Premièrement, nous introduisons les modèles tolérancés pour représenter des formes aux contours incertains par un continuum de modèles. Nous montrons qu'un modèle tolérancé est équivalent à un diagramme de Voronoi additif multiplicatif, et nous développons le lambda-complexe, l'équivalent de l'alpha-complexe, pour un tel diagramme. Deuxièmement, nous utilisons les modèles tolérancés pour représenter des assemblages protéiques. Nous expliquons comment un modèle tolérancé peut être utilisé pour évaluer la stabilité des contacts entre les protéines et pour valider la cohérence d'un tel modèle vis à vis de données expérimentales. Troisièmement, nous proposons des outils pour comparer des graphes de contact entre protéines, issus d' une part d'un modèle tolérancé, et d'autre part d'un modèle connu à résolution atomique. L'ensemble de ces concepts et outils est utilisé pour sonder les reconstructions du pore nucléaire mentionnées ci-dessus.

Chapitres de livres sur le sujet "(Macro) molecular assemblies":

1

Simidjiev, Ilian, Zsuzsanna Várkonyi, Petar H. Lambrev et Győző Garab. « Isolation and Characterization of Lamellar Aggregates of LHCII and LHCII-Lipid Macro-assemblies with Light-Inducible Structural Transitions ». Dans Methods in Molecular Biology, 127–38. Totowa, NJ : Humana Press, 2010. http://dx.doi.org/10.1007/978-1-60761-925-3_12.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
2

Janmey, Paul A. « Application of dynamic light scattering to biological systems ». Dans Dynamic Light Scattering, 611–40. Oxford University PressOxford, 1993. http://dx.doi.org/10.1093/oso/9780198539421.003.0015.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Abstract In many respects, biological macromolecules are well suited for study by dynamic light scattering. They are usually sufficiently large to be strong scatterers at low concentrations, and their diffusion constants are generally appropriate to give rise to intensity autocorrelations that can accurately be measured by available instrumentation. Most important, biological macro-molecules are often synthesized in precisely defined molecular weights, allowing almost perfectly monodisperse solutions. These features have motivated many studies of the conformation and size of proteins, nucleic acids, polysaccharides, lipids, and their supermolecular assemblies. The sizes of biological molecules and assemblies that have been studied by DLS range from monomeric proteins of molecular weight as low as 6000 to intact cells several micrometres in diameter. A common experimental limit for these molecules is imposed by their thermal instability and propensity to aggregate or otherwise change their state of assembly in non-physiological solutions. The non-perturbing nature of DLS and the lack of a requirement for labelling the molecule of interest have facilitated measurements of very delicate materials and have allowed the detection of interactions between chemically distinct materials such as protein-lipid interactions under conditions designed to mimic those encountered in vivo. Interpretation of scattering from the wide variety of biological materials presents a formidable challenge to theorists and in some cases limits the structural information that can be derived from chemically well-defined samples. Therefore DLS measurements are often combined with such methods as electron microscopy, birefringence, static light scattering, or neutron scattering. to achieve an unambiguous molecular interpretation.
3

« Colloids and Molecular Organization in Liquids ». Dans Polymer Structure Characterization : From Nano to Macro Organization in Small Molecules and Polymers, 365–92. 2e éd. The Royal Society of Chemistry, 2013. http://dx.doi.org/10.1039/bk9781849734332-00365.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
The ability to self assemble is often driven by the creation of organized structures in the liquid state. Colloids and micelles exemplify the self assembly process and the stability of these forms can be described in terms of either charge or entropic stabilization of a segregated phase. The stability of the phases created depends on a balance of a number of factors lead to polymers being used as surfactants and surface modifying agents. In this context, block copolymers based on polyethers are very important and are discussed in detail.
4

Waller, David A., et Guy G. Dodson. « Biological structures obtained by X-ray diffraction methods ». Dans Molecular Structures in Biology, 1–19. Oxford University PressOxford, 1993. http://dx.doi.org/10.1093/oso/9780198547716.003.0001.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Abstract 1.1 Introduction This article is aimed at biochemists and molecular biologists without crystallographic training who wish to learn about the structural determination of macromolecules by X-ray analysis. Examples are taken mainly from the crystallography of proteins. X-ray analysis has had an immense impact on biochemistry and biological science. Our knowledge of the three-dimensional structure of proteins, nucleic acids, viruses, and other macro­ molecular assemblies has come almost entirely through this technique. The first high-resolution protein structure determined by X-ray crystallography, myoglobin (Kendrew et al. 1960), gave an initial impression of great complexity. On further study it was revealed that the structure was composed of eight helices arranged around the haem group. The conformation of the a-helices agreed with the predictions of Pauling and Corey (1951). This first protein structure was found to contain a core of predominantly non-polar residues with polar residues distributed over its surface. The separation of non-polar side-chains into the interior and polar side-chains onto the exterior of the protein explained many of its physical and chemical properties and gave a reliable structural basis to direct future chemical and biochemical research.
5

« Self Assembly and Building Nano Structures ». Dans Polymer Structure Characterization : From Nano to Macro Organization in Small Molecules and Polymers, 393–424. 2e éd. The Royal Society of Chemistry, 2013. http://dx.doi.org/10.1039/bk9781849734332-00393.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
Self assembly has been a developing theme through this monograph. Some structures, by the nature of the processes used in their synthesis form molecules which naturally self assemble. Carbon-based spheres and nano tubes have interesting and important characteristics. Sheets of carbon, graphene, exhibits electrical conductivity and physical property characteristics which make these materials potentially very important technologically. So-called intrinsic conducting polymers have been developed form polyacetylene and are utilized in display applications. Reinforcement of polymer systems can also be achieved by the use of exfoliated clay systems, in which the nano scale of the clay platelets allows order to be created within the polymer matrix. Combining inorganic and organic elements it is possible to create structures with large voids for permeation applications and to influence the growth or inorganic crystals by habit control.

Actes de conférences sur le sujet "(Macro) molecular assemblies":

1

Aouf, Rashad, et Vojislav Ilic. « Microscopic Observation of Energy Propagation in Polymeric Fluids Crossing a Barrier ». Dans ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-66752.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.
Résumé :
A major challenge facing tumour treatment procedures, including hyperthermia, is the inadequate modelling of the bio-heat transfer process. Therefore, an accurate mathematical bio-heat transfer model has to precisely quantify the temperature distribution within a complex geometry of a tumour tissue, in order to help optimize unwanted side effects for patients and minimize (avoid) collateral tissue damage. This study examines the three-dimensional molecular dynamics (MDs) simulation of a Lennard-Jones fluid in the hope of contributing to the understanding of the propagation of a thermal wave in fluids causing phase change i.e. irreversible gelation. It is intended to establish, from such information, a useful benchmark for application to large scale phenomena involving macro scale heat transfer. Specifically, this study examines assemblies of N particles (N = 500 atoms) and analyses the microscopic simulation of double well interaction with permanent molecular bond formation at various temperatures within the range 1–2.5Kb/εT. The dynamics of the fluid is also being studied under the influence of a temperature gradient, dt/dx, where neighbouring particles (i.e. atoms/molecules) are randomly linked by permanent bonds to form clusters of different sizes. The atomic/molecular model consist of an isothermal source and sink whose particles are linked by springs to lattice sites to avoid melting, and a bulk of 500 atoms/molecules in the middle representing the Lennard-Jones fluid. Then, this study simulates the energy propagation following the temperature gradient between the heat source and heat sink at T1 = 2.5 and T2 = 1.5 respectively. The potential equation involved in this study is given by the Finitely Extensible Non Elastic (FENE) and Lennard-Jones (LJ) interaction potential. It is observed that the atoms of the bulk start to form a large cluster (∼ 300 atoms) with long time of simulation estimated by 106 time steps where τ = SQRT(ε/mσ2) and Δt = 10−3. It is also obtained that the potential energy of 13.65KbT across a barrier to establish permanent bonds giving rise to irreversible gel formation. All the parameters used in this study are expressed in Lennard-Jones units.

Rapports d'organisations sur le sujet "(Macro) molecular assemblies":

1

Rajak, Aritra, et Anindita Das. Precision Macro (molecular) Assemblies. The Israel Chemical Society, mars 2023. http://dx.doi.org/10.51167/acm00042.

Texte intégral
Styles APA, Harvard, Vancouver, ISO, etc.

Vers la bibliographie