Relevant bibliographies by topics / Molecular substrate process

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'Molecular substrate process'

Author: Grafiati
Published: 4 June 2021
Last updated: 4 February 2022

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Journal articles on the topic "Molecular substrate process"

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FAHRENDORF, SARAH, FRANK MATTHES, DANIEL E. BÜRGLER, et al. "STRUCTURAL INTEGRITY OF SINGLE BIS(PHTHALOCYANINATO)-NEODYMIUM(III) MOLECULES ON METAL SURFACES WITH DIFFERENT REACTIVITY." SPIN 04, no. 02 (2014): 1440007. http://dx.doi.org/10.1142/s2010324714400074.

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Magnetic molecules are auspicious candidates to act as functional units in molecular spintronics. Integrating molecules into a device environment providing mechanical support and electrical contacts requires their deposition as intact entities onto substrates. Thermal sublimation is a very clean deposition process that, however, thermally decomposes molecules of insufficient stability leading to the deposition of molecular fragments. Here, we show that the molecule-surface interaction of chemisorbed molecules affects the intramolecular bonding and can lead depending on the surface reactivity t
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Kladova, O. A., N. A. Kuznetsov, and O. S. Fedorova. "Thermodynamics of the DNA Repair Process by Endonuclease VIII." Acta Naturae 11, no. 1 (2019): 29–37. http://dx.doi.org/10.32607/20758251-2019-11-1-29-37.

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In the present work, a thermodynamic analysis of the interaction between endonuclease VIII (Endo VIII) and model DNA substrates containing damaged nucleotides, such as 5,6-dihydrouridine and 2-hydroxymethyl-3-hydroxytetrahydrofuran (F-site), was performed. The changes in the fluorescence intensity of the 1,3-diaza-2-oxophenoxazine (tCO) residue located in the complementary chain opposite to the specific site were recorded in the course of the enzyme-substrate interaction. The kinetics was analyzed by the stopped-flow method at different temperatures. The changes of standard Gibbs free energy,
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Huang, Jen Ching, Yi Chia Liao, Huail Siang Liu, and Fu Jen Cheng. "The Study on Deposition Process and Mechanical Properties of Deposited Cu Thin Films Using Molecular Dynamics." Advanced Materials Research 684 (April 2013): 37–41. http://dx.doi.org/10.4028/www.scientific.net/amr.684.37.

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This paper studies the deposition process and mechanical properties of Cu thin films deposited on single crystal copper substrates with various surface roughnesses by molecular dynamics (MD). In the effect of vacancy concentration (Cv) of substrate, the Young's modulus of sample decreased as the Cv of substrate increased but the adhesion force will increase as the Cv of substrate increases. The effect of substrate roughness on the peak intensity of crystal orientation has little. And the greater Cv of substrate, the surface roughness of the deposited thin film also increased. In the effect of
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Pizzone, Mattia, Maria Grazia Grimaldi, Antonino La Magna, et al. "Study of the Molecule Adsorption Process during the Molecular Doping." Nanomaterials 11, no. 8 (2021): 1899. http://dx.doi.org/10.3390/nano11081899.

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Molecular Doping (MD) involves the deposition of molecules, containing the dopant atoms and dissolved in liquid solutions, over the surface of a semiconductor before the drive-in step. The control on the characteristics of the final doped samples resides on the in-depth study of the molecule behaviour once deposited. It is already known that the molecules form a self-assembled monolayer over the surface of the sample, but little is known about the role and behaviour of possible multiple layers that could be deposited on it after extended deposition times. In this work, we investigate the molec
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Norton, Michael. "DESIGNED SELF-ORGANIZATION FOR MOLECULAR OPTOELECTRONIC SENSORS." International Journal of High Speed Electronics and Systems 17, no. 02 (2007): 311–26. http://dx.doi.org/10.1142/s0129156407004527.

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The convergence of terahertz spectroscopy and single molecule experimentation offers significant promise of enhancement in sensitivity and selectivity in molecular recognition, identification and quantitation germane to military and security applications. This paper provides a brief overview of the constraints set by single molecule recognition systems and reports the results of experiments which address fundamental barriers to the integration of large, patterned bio-compatible molecular opto-electronic systems with silicon based microelectronic systems. Central to this thrust is an approach i
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Wang, Shulong, Qian Zhang, Kai Yin, et al. "The Influence of Copper Substrates on Irradiation Effects of Graphene: A Molecular Dynamics Study." Materials 12, no. 2 (2019): 319. http://dx.doi.org/10.3390/ma12020319.

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In this paper, classical molecular dynamics simulations are conducted to study the graphene grown on copper substrates under ion beam irradiation, in which the emphasis is put on the influence copper substrate on a single graphene layer. It can be inferred that the actual transmission and distribution of kinetic energy from incident ion play important roles in irradiation-defects forming process together. The minimum value needed to generate defects in supported graphene is higher than 2.67 keV, which is almost twice the damage threshold as the suspended graphene sheet. This work indicates the
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Mouchlis, Varnavas D., Denis Bucher, J. Andrew McCammon, and Edward A. Dennis. "Membranes serve as allosteric activators of phospholipase A2, enabling it to extract, bind, and hydrolyze phospholipid substrates." Proceedings of the National Academy of Sciences 112, no. 6 (2015): E516—E525. http://dx.doi.org/10.1073/pnas.1424651112.

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Defining the molecular details and consequences of the association of water-soluble proteins with membranes is fundamental to understanding protein–lipid interactions and membrane functioning. Phospholipase A2(PLA2) enzymes, which catalyze the hydrolysis of phospholipid substrates that compose the membrane bilayers, provide the ideal system for studying protein–lipid interactions. Our study focuses on understanding the catalytic cycle of two different human PLA2s: the cytosolic Group IVA cPLA2and calcium-independent Group VIA iPLA2. Computer-aided techniques guided by deuterium exchange mass s
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Cheong, Wun Chet Davy, and Liang Chi Zhang. "Molecular Dynamics Simulation of Nano-Indentation of Carbon Coated Monocrystalline Silicon." Key Engineering Materials 312 (June 2006): 351–56. http://dx.doi.org/10.4028/www.scientific.net/kem.312.351.

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This paper presents the molecular dynamics (MD) simulation of nano-indentation of diamond-like carbon (DLC) coating on silicon substrates. It is found that the mechanisms of nanoindentation of coated systems on the nanometre scale defers considerably from the same process on the micrometre scale. The coating thickness affects the mechanisms of plastic deformation both in the coating and the substrate.
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Barrena, E., J. O. Ossó, F. Schreiber, M. Garriga, M. I. Alonso, and H. Dosch. "Self-organization of phthalocyanines on Al2O3 (1120) in aligned and ordered films." Journal of Materials Research 19, no. 7 (2004): 2061–67. http://dx.doi.org/10.1557/jmr.2004.0258.

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We studied the self-organization process of F16CuPc films (20–30 ML) on stepped Al2O3 (1120) substrates. X-ray diffraction measurements revealed a highly ordered layered structure with the molecules in a nearly upright configuration. The morphology, investigated by atomic force microscopy, consisted of long (several microns) and narrow (20–100 nm) needlelike terraces unidirectionally aligned along one of the main crystallographic directions of the Al2O3 (1120) surface. High resolution atomic force microscopy images revealed in-plane molecular order with the molecular stacking direction paralle
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Jomaa, Ahmad, Jack Iwanczyk, Julie Tran, and Joaquin Ortega. "Characterization of the Autocleavage Process of the Escherichia coli HtrA Protein: Implications for its Physiological Role." Journal of Bacteriology 191, no. 6 (2008): 1924–32. http://dx.doi.org/10.1128/jb.01187-08.

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ABSTRACT The Escherichia coli HtrA protein is a periplasmic protease/chaperone that is upregulated under stress conditions. The protease and chaperone activities of HtrA eliminate or refold damaged and unfolded proteins in the bacterial periplasm that are generated upon stress conditions. In the absence of substrates, HtrA oligomerizes into a hexameric cage, but binding of misfolded proteins transforms the hexamers into bigger 12-mer and 24-mer cages that encapsulate the substrates for degradation or refolding. HtrA also undergoes partial degradation as a consequence of self-cleavage of the ma
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Dissertations / Theses on the topic "Molecular substrate process"

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Al-Salih, T. "The electrosynthesis of metal complexes from the molecular substrates, N2̲, H2̲, CO and isocyanides." Thesis, University of Sussex, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.377062.

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Edqvist, Petra J. "Multiple twists in the molecular tales of YopD and LcrH in type III secretion by Yersinia pseudotuberculosis." Doctoral thesis, Umeå : Umeå University, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-985.

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Schneider, Ricardo. "Materiais híbridos formados por nanofilmes moleculares depositados sobre nanofilmes metálicos produzidos por processo bottom-up em substratos vítreos para uso como parte ativa de nanodispositivos." Universidade Federal de Pernambuco, 2008. https://repositorio.ufpe.br/handle/123456789/8205.

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Made available in DSpace on 2014-06-12T22:58:12Z (GMT). No. of bitstreams: 2 arquivo4277_1.pdf: 4341020 bytes, checksum: 14c9ce1c7a9f4c1c01f64ebee2dd8876 (MD5) license.txt: 1748 bytes, checksum: 8a4605be74aa9ea9d79846c1fba20a33 (MD5) Previous issue date: 2008<br>No presente trabalho, foi desenvolvido e caracterizado um sistema híbrido formado pela evaporação térmica de um nanofilme molecular de complexo de terra rara sobre um filme fino metálico, obtido por um processo bottom-up. Para a produção do novo híbrido, o complexo fotônico Eu(btfa)3bipy foi depositado sobre um substrato recobert
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Books on the topic "Molecular substrate process"

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Guo, Yong, and Claudia F. Lucchinetti. Taking a Microscopic Look at Multiple Sclerosis. Oxford University Press, 2016. http://dx.doi.org/10.1093/med/9780199341016.003.0005.

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The pathology of multiple sclerosis is complex, extends beyond the white matter plaque, and is influenced by stage of demyelinating activity, clinical course, disease duration, and treatment. Technological advances in immunology, molecular biology, and “omic” biology have provided novel insights into the mechanisms for development of white matter plaques, axonal damage, cortical demyelination, and disease progression. Detailed, systematic, and statistically rigorous pathological studies on clinically well-characterized MS cohorts have helped define the heterogeneous pathological substrates of
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Covassin, Naima, and Virend K. Somers. The cardiovascular system during sleep. Edited by Guido Grassi. Oxford University Press, 2018. http://dx.doi.org/10.1093/med/9780198784906.003.0028.

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The majority of molecular, physiological, and behavioural processes undergo substantial variations across a 24 h period. The health implications of such fluctuations, whether they are expressions of an intrinsic circadian rhythmicity or are secondary to changes in physical activity, posture, and/or sleep, are increasingly recognized. Similar to other biological functions, the cardiovascular system exhibits a prominent day–night profile, with profound haemodynamic, autonomic, and hormonal oscillations occurring during the sleep period. These time-dependent and sleep stage-dependent patterns of
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Gropler, Robert J. Imaging of Myocardial Metabolism. Oxford University Press, 2015. http://dx.doi.org/10.1093/med/9780199392094.003.0025.

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Abnormalities in myocardial substrate metabolism play a key role in the pathogenesis of a host of cardiac disease processes. The importance is highlighted by the routine clinical use of positron emission tomography (PET) using 18F-fluorodeoxyglucose (FDG) to measure myocardial glucose metabolism to detect viable tissue in patients with ischemic cardiomyopathy and the development of novel therapies designed to modulate myocardial metabolism. Our understanding of myocardial metabolism has benefitted from the application of advanced molecular biologic techniques and the development of elegant gen
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Book chapters on the topic "Molecular substrate process"

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Kholmurodov, K., I. Puzynin, W. Smith, K. Yasuoka, and T. Ebisuzaki. "Molecular Dynamics Simulations of the Droplet Spreading Process for Metallic Phases: The Low Energy Cluster-Substrate Impacts." In Springer Proceedings in Physics. Springer Berlin Heidelberg, 2002. http://dx.doi.org/10.1007/978-3-642-59406-9_11.

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Page, M. I. "The specificity of enzyme—substrate interactions." In Accuracy in Molecular Processes. Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4097-0_3.

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Laustsen, Christoffer, Cornelius von Morze, and Galen D. Reed. "Hyperpolarized Carbon (13C) MRI of the Kidney: Experimental Protocol." In Methods in Molecular Biology. Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-0978-1_29.

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AbstractAlterations in renal metabolism are associated with both physiological and pathophysiologic events. The existing noninvasive analytic tools including medical imaging have limited capability for investigating these processes, which potentially limits current understanding of kidney disease and the precision of its clinical diagnosis. Hyperpolarized 13C MRI is a new medical imaging modality that can capture changes in the metabolic processing of certain rapidly metabolized substrates, as well as changes in kidney function. Here we describe experimental protocols for renal metabolic [1-13C]pyruvate and functional 13C-urea imaging step-by-step. These methods and protocols are useful for investigating renal blood flow and function as well as the renal metabolic status of rodents in vivo under various experimental (patho)physiological conditions.This chapter is based upon work from the COST Action PARENCHIMA, a community-driven network funded by the European Cooperation in Science and Technology (COST) program of the European Union, which aims to improve the reproducibility and standardization of renal MRI biomarkers. This experimental protocol is complemented by two separate chapters describing the basic concept and data analysis.
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NAKAGAWA, KIYOKAZU, MASANOBU MIYAO, and YASUHIRO SHIRAKI. "INFLUENCE OF SUBSTRATE ORIENTATION ON SURFACE SEGREGATION PROCESS IN SILICON-MBE." In Silicon Molecular Beam Epitaxy. Elsevier, 1989. http://dx.doi.org/10.1016/b978-0-444-88620-0.50039-0.

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Nitzan, Abraham. "Electron Transfer and Transmission at Molecule–Metal and Molecule–Semiconductor Interfaces." In Chemical Dynamics in Condensed Phases. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780198529798.003.0024.

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This chapter continues our discussion of electron transfer processes, now focusing on the interface between molecular systems and solid conductors. Interest in such processes has recently surged within the emerging field of molecular electronics, itself part of a general multidisciplinary effort on nanotechnology. Notwithstanding new concepts, new experimental and theoretical methods, and new terminology, the start of this interest dates back to the early days of electrochemistry, marked by the famous experiments of Galvani and Volta in the late eighteenth century. The first part of this chapter discusses electron transfer in what might now be called “traditional” electrochemistry where the fundamental process is electron transfer between a molecule or a molecular ion and a metal electrode. The second part constitutes an introduction to molecular electronics, focusing on the problem of molecular conduction, which is essentially electron transfer (in this context better termed electron transmission) between two metal electrodes through a molecular layer or sometimes even a single molecule. In Chapter 16 we have focused on electron transfer processes of the following characteristics: (1) Two electronic states, one associated with the donor species, the other with the acceptor, are involved. (2) Energetics is determined by the electronic energies of the donor and acceptor states and by the electrostatic solvation of the initial and final charge distributions in their electronic and nuclear environments. (3) The energy barrier to the transfer process originates from the fact that electronic and nuclear motions occur on vastly different timescales. (4) Irreversibility is driven by nuclear relaxation about the initial and final electronic charge distributions. How will this change if one of the two electronic species is replaced by a metal? We can imagine an electron transfer process between a metal substrate and a molecule adsorbed on its surface, however the most common process of this kind takes place at the interface between a metal electrode and an electrolyte solution, where the molecular species is an ion residing in the electrolyte, near the metal surface. Electron transfer in this configuration is the fundamental process of electrochemistry.
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Rajamanickam, Karthika, Jayanthi Balakrishnan, Selvankumar Thangaswamy, and Govarthanan Muthusamy. "Microbial Enzymes and Their Mechanisms in the Bioremediation of Pollutants." In Recent Advancements in Bioremediation of Metal Contaminants. IGI Global, 2021. http://dx.doi.org/10.4018/978-1-7998-4888-2.ch003.

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Bioremediation is the process, with the help of microbes or their enzymes, to remove the pollutants present in the environment and change them into non-toxic compounds. Microbial enzymes have a wide range of metabolic activities and are involved in the transformation of pollutants. Enzymes like oxidoreductase, hydrolases, monooxygenase, dioxygenase, methyltransferases, and lipases are involved in the degradation process. Oxidoreductase catalyzes the transfer of electron and proton from the reduced organic substrate to another chemical compound from donor to acceptor. Monooxygenase and dioxygenases are the transferring oxygen from molecular oxygen (O2) utilizing FAD/NADH/NADPH as a co-substrate in this process. Lyases catalyze the cleavage of the bonds by elimination, leaving double bonds. Peroxidases catalyze the oxidation of lignin and other phenolic compounds at the expense of hydrogen peroxide (H2O2) in the presence of a mediator. Lipases also involve catalyzing the hydrolysis of triacylglycerols to glycerol and free fatty acids.
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Morishima, Isao. "Pressure Effects on the Ligand-Binding Kinetics for Hemoproteins and Their Site-Directed Mutants." In High Pressure Effects in Molecular Biophysics and Enzymology. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195097221.003.0016.

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The effects of high pressure up to 1500 bar on the recombination kinetics of oxygen and carbon monoxide (CO) binding to human hemoglobin (intact and isolated chain forms), human myoglobin (and its mutants), and cytochrome P-450 were studied by the use of millisecond and nanosecond laser photolysis. The activation volumes for the binding of CO to the R- and T-quaternary states of hemoglobin (Hbs) were determined to be –9.0 and –31.7 ml, respectively. The characteristic pressure dependence of the activation volume was observed for the R-state Hb but not for the T-state Hb. More detailed studies were made with isolated α- and β-chains of human Hb. The kinetic data were analyzed on the basis of a simple three-species model, which assumes two elementary reaction processes of bond formation and steps of ligand migration. A pressure-dependent activation volume change from negative lo positive values in the bimolecular CO association reaction was observed for both chains. This is attributed to a change of the rate-limiting step from the bond-formation step to the ligandmigration step. High-pressure ligand-binding kinetics were also examined for site-specific mutants of human myoglobin in which some amino acid residues at the heme distal sites, such as Leu 29, Lys 45, Ala 66, and Thr 67, are substituted by others. The pressure dependence of the CO binding rate for the L29 mutants was unusual: a positive value was obtained unexpectedly for overall CO binding. Corresponding to this anomaly was an unusual geometry of the iron-bound CO, which was determined by IR and NMR spectroscopies. The effects of camphor and camphor analogues as substrates on the CO-binding kinetics for P-450cam were also studied under pressure. The positive activation volumes for CO binding were obtained for substrate-free and norcamphor- and adamantane-bound P-450, whereas other substrate analogue-bound P-450 complexes exhibited the negative activation volumes. All of the present high-pressure results are discussed in relation to (1) the dynamic aspects of the protein conformation, and (2) the specific participation of amino acid residues in the heme distal site in each elementary step of the ligand-binding reaction process.
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Bon Hoa, Gaston Hui, and Carmelo Di Primo. "Application of Pressure Relaxation to the Study of Substrate Binding to Cytochrome P-450cam versus Temperature, Pressure, and Viscosity." In High Pressure Effects in Molecular Biophysics and Enzymology. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195097221.003.0015.

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The pressure-jump relaxation technique is a convenient and interesting means of studying rapid reversible reactions of biological systems. According to the change in reaction volume that accompanies a biochemical process, a rapid pressure change Δp produces a relative equilibrium shift ΔK/K, which is given by ΔlnK = AK/K = — (ΔV°/RT) Δp, where ΔV° is the reaction volume change. If the pressure change has a very short transition time, then relaxation kinetic measurements near equilibrium are possible, allowing the elucidation of reaction mechanisms through the detection of eventual reaction intermediates and the characterization of elementary kinetic and thermodynamic parameters. Our reversible pressure-jump method described in this chapter is capable of producing a sharp pressure change of ±20MPa in less than 3 milliseconds allowing the determination of relaxation rates in the time range of several milliseconds to several minutes at any final pressure up to 400 MPa, and in any viscosity solution. This technique was employed to study the binding kinetics of camphor and its analogues to bacterial cytochrome P-450cam as functions of temperature, pressure, and viscosity. The results obtained are discussed in terms of conformational dynamics of the protein associated with the entry and the exist of water molecules and specific interactions of the substrate1 with the apolar residues in the active site of cytochrome P-450cam. The binding of ligands or substrates to proteins can exhibit multistate kinetic behavior similar to transient-stale enzyme kinetics and isomerizations of proteins. The underlying elementary reaction mechanisms can be elucidated by the use of rapid mixing techniques. Usually a reaction is initiated by mixing the reactants as rapidly as possible, and the approach to equilibrium is monitored. This method has been adapted to the study of enzyme reaction mechanisms under extreme conditions of temperature and pressure (Hui Bon Hoa &amp; Douzou, 1973; Balny et al., 1984). However, this approach is limited by the deadtime, the large amount of sample required, and difficulties in using the apparatus to study viscous solutions, such as Schlieren effects, caused by incomplete mixing in flow experiments. Relaxation techniques overcome these problems by the application of a physical perturbation to a system already at equilibrium.
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KAWAKUBO, Takashi. "MOLECULAR-DYNAMICS SIMULATIONS FOR LOW ENERGY ION BEAM THIN FILM FORMATION PROCESS AT DIFFERENT INCIDENT BEAM ENERGY AND SUBSTRATE TEMPERATURE." In Computer Aided Innovation of New Materials. Elsevier, 1991. http://dx.doi.org/10.1016/b978-0-444-88864-8.50082-0.

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Frey, Perry A., and Adrian D. Hegeman. "Oxidoreductases." In Enzymatic Reaction Mechanisms. Oxford University Press, 2007. http://dx.doi.org/10.1093/oso/9780195122589.003.0020.

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Oxidoreductases constitute a very large class of enzymes. They are dehydrogenases and reductases that catalyze the removal or addition of the elements of molecular hydrogen to or from substrates. Enzymatic dehydrogenation is sometimes linked to auxiliary functions such as decarboxylation, deamination, or dehydration of the substrate, as in the actions of isocitrate dehydrogenase (decarboxylation), glutamate dehydrogenase (deamination), and ribonucleotide reductase (deoxygenation). The best known oxidoreductases are the NAD-dependent dehydrogenases, and a thorough discussion of the actions of these enzymes could easily fill a volume the size of this book. For this reason, this discussion must focus on the salient aspects of reaction mechanisms that represent the major classes of oxidoreductases. Authoritative reviews on the kinetics and structures of the main dehydrogenases are available (Banaszak et al., 1975; Brändén et al., 1975; Dalziel, 1975; Harris and Waters, 1976; Holbrook et al., 1975; Rossman et al., 1975; Smith et al., 1975; Williams, 1976). In this chapter, we emphasize the diverse oxidoreduction mechanisms and place less emphasis on auxiliary functions such as decarboxylation, the mechanisms of which are similar to the actions of enzymes discussed in earlier chapters of this book. Discussions of several dehydrogenases not included in this chapter can be found in other chapters. These include methanol, glucose, and methylamine dehydrogenases in chapter 3, dimethylsulfoxide reductase in chapter 4, and dihydrofolate reductase and β-hydroxymethylglutaryl CoA reductase in chapter 5. Pyruvate and α-ketoglutarate dehydrogenases are discussed in chapter 18. Enzymatic addition or removal of the elements of hydrogen to or from an organic molecule generally requires the action of a coenzyme. In principle, the process may proceed by any of several mechanisms, including the formal transfer of a hydride and a proton; or the transfer of two electrons and two protons; or the transfer of a hydrogen atom, an electron, and a proton; or any of several other sequences. Proteins alone do not efficiently catalyze these processes; coenzymes and cofactors generally provide the essential chemistry for catalysis by oxidoreductases. Many enzymes catalyze the dehydrogenation of an alcoholic group to a ketone or aldehyde coupled with the reduction of NAD+ to NADH.
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Conference papers on the topic "Molecular substrate process"

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Cordeiro, Jhonatam, and Salil Desai. "Process Parameter Studies of Molecular Dynamics Models to Control Substrate Wettability." In ASME 2015 International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/msec2015-9282.

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Nanotechnology is being used to solve many engineering problems in the fields of electronics, medicine and energy. However, nanomanufacturing and nano-characterization of materials usually require time, specialized machinery and laboratory facilities that are unavailable or expensive to operate. The use of classical computer simulation of materials, such as finite element analysis has limited representation at the nanoscale, because they fail to consider the atomic configurations and forces. This research presents the use of Molecular Dynamics modeling to characterize materials at the nanoscal
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Huang, Po-Wei, Kuo-Yung Hung, and Yun-Ju Chuang. "Development of fully MEMS-compatible process on the flexible substrate." In 2017 IEEE 12th International Conference on Nano/Micro Engineered and Molecular Systems (NEMS). IEEE, 2017. http://dx.doi.org/10.1109/nems.2017.8017025.

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Lu, Gui, Yuan-Yuan Duan, and Xiao-Dong Wang. "Effects of Free Surface Evaporation on Water Nano-Droplet Wetting Kinetics: A Molecular Dynamics Study." In ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/mnhmt2013-22108.

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The dynamic wetting of water nano-droplet with evaporation on the heated gold substrate was examined using molecular dynamics simulation. Various substrate and droplet pre-heated temperatures were calculated to obtained different evaporating rates. Water molecules attachment-detachment details were traced near the contact line region to show the microscopic details and evidences for the spreading-evaporating droplet. The increasing substrate temperature greatly affected the dynamic wetting process, while the initial temperature of water droplet had very limited effects. The effects of free sur
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Mahboobi, S. H., A. Meghdari, N. Jalili, and F. Amiri. "Qualitative Study of Nanocluster Positioning Process: 2D Molecular Dynamics Simulations." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-66049.

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One of the key factors in the assembly of nanoclusters is the precise positioning of them by a manipulation system. Currently the size of clusters used as building blocks is shrinking down to a few nanometers. In such cases, the particle nature of matter plays an important role in the manipulator/cluster/substrate interactions. Having a deeper insight to the aforementioned nanoscale interactions is crucial for prediction and understanding of the behavior of nanoclusters during the positioning process. In the present research, 2D molecular dynamics simulations have been used to investigate such
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Hwang, Shun-Fa, Zheng-Han Hong, and Te-Hua Fang. "Molecular Dynamics Simulation of Iron Clusters Deposition on Copper Substrate." In ASME 2010 10th Biennial Conference on Engineering Systems Design and Analysis. ASMEDC, 2010. http://dx.doi.org/10.1115/esda2010-24504.

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A molecular dynamic method was used to simulate the film growth process of ionized cluster beam deposition for Fe clusters depositing on Cu substrate with low energy. The tight-binding many-body potential is used to simulate the interaction between atoms. It will focus on the diverse deposition process parameters including incident energy, and substrate temperature, and it will use atomic stress tensor to obtain the residual stress after the deposition process. During simulations, we will find out the critical value of the incident energy to create epitaxy growth or interfacial intermixing, ob
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Hosseini, Mahmoud Reza, and Nader Jalili. "Molecular Dynamics Investigation of Carbon Diffusivity in Metal Nanoparticles During CVD-Based Nanotube Fabrication Process." In ASME 2006 International Mechanical Engineering Congress and Exposition. ASMEDC, 2006. http://dx.doi.org/10.1115/imece2006-15222.

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In this paper, molecular dynamics technique is utilized to investigate carbon molecules diffusivity into iron oxide nanoparticles such as FeO and Fe2O3. Such nanoparticles can be used during carbon nanotube (CNT) synthesis process in a chemical vapor deposition (CVD) system. Several simulations are conducted in the atmospheric pressure condition and for different temperatures ranging from 500 to 1100°C, which is common range for multi-walled and single-walled CNT (MWCNT and SWCNT) fabrication. The mean square displacement (MSD) diagrams and their corresponding diffusivity of the carbon molecul
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James, Sagil, Vivek Anand Menon, and Mayur Parmar. "Molecular Dynamics Simulation Study of Liquid-Assisted Laser Beam Machining Process." In ASME 2018 13th International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/msec2018-6504.

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Liquid Assisted Laser Beam Micromachining (LA-LBMM) process is advanced machining process which can overcome the limitations of traditional laser beam machining processes. LA-LBMM process uses a layer of a liquid medium such as water above the substrate surface during the application of laser beam. During LA-LBMM process, the liquid medium is used both in static mode in which the water is still or in a dynamic mode in which the water flows over the substrate with a specific velocity. Experimental studies on LA-LBMM process have shown that the cavity machined has a better surface finish due to
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Pishkenari, H. Nejat, S. H. Mahboobi, M. A. Mahjour, and A. Meghdari. "Simulation of Biomanipulation Using Molecular Dynamics." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-86804.

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In this paper, the simulation of biomolecules manipulation using molecular dynamics (MD) is studied. In order to investigate the manipulation behavior, we have used the ubiquitin as biomolecule, a single-walled carbon nanotube (SWCNT) as manipulation probe, a two-layer graphene sheet as substrate. Along this line, a series of simulations are conducted to study the effects of different conditions on the success of manipulation process. These conditions include tip diameter, vertical gap between the tip and substrate, initial orientation of protein, and the tip position with respect to the biomo
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Jia, Ding, Longqiu Li, Andrey Ovcharenko, Wenping Song, and Guangyu Zhang. "Molecular Dynamics Simulation of a Rigid Sphere Indenting a Copper Substrate." In ASME/STLE 2012 International Joint Tribology Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/ijtc2012-61079.

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Three-dimensional molecular dynamics (MD) simulation is used to study the atomic-scale indentation process of a spherical diamond tip in contact with a copper substrate. In the indentation simulations, the force-displacement curve is obtained and compared with a modified elastic solution of Hertz. The contact area under different indentation depths is also investigated. The force-displacement curve under different maximum indentation depths is obtained to investigate elastic-plastic deformation during the loading and unloading processes.
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Lin, T., T. Huang, Y. Yang, K. Tseng, and C. Fu. "Throughput comparison of multi-exposure and multi-beam laser interference lithography on nano patterned sapphire substrate process." In 2014 9th IEEE International Conference on Nano/Micro Engineered and Molecular Systems (NEMS). IEEE, 2014. http://dx.doi.org/10.1109/nems.2014.6908873.

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