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Gotowe bibliografie tematyczne / Complex Reaction Mechanism - Molecular Processes

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Gotowa bibliografia na temat „Complex Reaction Mechanism - Molecular Processes”

Autor: Grafiati

Data publikacji: 7 września 2023

Data aktualizacji: 31 lipca 2025

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Artykuły w czasopismach na temat "Complex Reaction Mechanism - Molecular Processes"

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Saidqulov, Sanjar H. "MECHANISM OF PROPANE-BUTANE FRACTION DECOMPOSITION PROCESS INTO LOW MOLECULAR SATURATED AND UNSATURATED HYDROCARBONS." International Journal of Advance Scientific Research 05, no. 12 (2024): 336–48. https://doi.org/10.37547/ijasr-04-12-52.

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The decomposition of propane-butane fractions into low molecular weight saturated and unsaturated hydrocarbons is a key process in petrochemical production. This study explores the kinetic parameters and reaction mechanisms using reactors designed for impulse and continuous flow operations. The results indicate that the decomposition reactions follow first-order kinetics under specific experimental conditions. Conducted at temperatures ranging from 400°C to 700°C with catalysts, the experiments reveal that the process occurs at two distinct active catalytic sites (Z and Z). The mechanism invol

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Hirst, Judy. "Towards the molecular mechanism of respiratory complex I." Biochemical Journal 425, no. 2 (2009): 327–39. http://dx.doi.org/10.1042/bj20091382.

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Complex I (NADH:quinone oxidoreductase) is crucial to respiration in many aerobic organisms. In mitochondria, it oxidizes NADH (to regenerate NAD+ for the tricarboxylic acid cycle and fatty-acid oxidation), reduces ubiquinone (the electrons are ultimately used to reduce oxygen to water) and transports protons across the mitochondrial inner membrane (to produce and sustain the protonmotive force that supports ATP synthesis and transport processes). Complex I is also a major contributor to reactive oxygen species production in the cell. Understanding the mechanisms of energy transduction and rea

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Sakamoto, Naonari, Keita Sekizawa, Soichi Shirai, et al. "(Digital Presentation) Investigate the Reaction Mechanism in the C3H7OH Electrochemical Reduction Reaction from CO₂ Using Dinuclear Cuprous Molecular Catalyst." ECS Meeting Abstracts MA2024-02, no. 62 (2024): 4256. https://doi.org/10.1149/ma2024-02624256mtgabs.

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The urgent global challenge of climate change and the depletion of energy resources have spotlighted the technology of converting carbon dioxide (CO2) into valuable carbon-based products. The CO2 reduction reaction (CO2RR) via metal complex molecules is expected to improve and enhance the electronic/chemical environment of the catalytic active sites through control with freely modulable organic ligands. The selectivity for the formation of formic acid and carbon monoxide from CO2 in organic solvents has been successfully controlled in some molecular catalysts by small structural differences in

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Kulakova, A. M., M. G. Khrenova, and A. V. Nemukhin. "Molecular mechanism of chromogenic substrate hydrolysis in the active site of human carboxylesterase-1." Biomeditsinskaya Khimiya 67, no. 3 (2021): 300–305. http://dx.doi.org/10.18097/pbmc20216703300.

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Human carboxylesterases are involved in the protective processes of detoxification during the hydrolytic metabolism of xenobiotics. Knowledge of the molecular mechanisms of substrates hydrolysis in the enzymes active site is necessary for the rational drug design. In this work, the molecular mechanism of the hydrolysis reaction of para-nitrophenyl acetate in the active site of human carboxylesterase was determined using modern methods of molecular modeling. According to the combined method of quantum mechanics/molecular mechanics calculations, the chemical reaction occurs within four elementar

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Dinolfo, Peter Henry, Andrea L. Mitchell, Charles A. McCabe, and Peter J. Bonitatibus. "(Invited) Utilizing Redox-Coupled Spin-Crossover to Enhance Molecular Bistability." ECS Meeting Abstracts MA2025-01, no. 56 (2025): 2705. https://doi.org/10.1149/ma2025-01562705mtgabs.

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Spin crossover (SCO) is one of the most widely studied phenomena in transition metal complexes, in part due to the possible technological applications of such species in molecular electronics, memory storage, electrochromics, and display devices. Any transition metal complex with a d4–d7 electron configuration, such as 2+ and 3+ ions of Cr, Mn, Fe, and Co, can theoretically exhibit SCO effects which depend highly on the coordination environment and ligand field strength. Redox-coupled SCO processes provide a mechanism to enhance the molecular bistability and trigger transitions between low- an

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Zhang, Lanjun, Yujia Han, Dexin Xu, et al. "Study on the Reaction Path of -CH3 and -CHO Functional Groups during Coal Spontaneous Combustion: Quantum Chemistry and Experimental Research." Energies 15, no. 13 (2022): 4891. http://dx.doi.org/10.3390/en15134891.

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Coal spontaneous combustion (CSC) is a disaster that seriously threatens safe production in coal mines. Revealing the mechanism of CSC can provide a theoretical basis for its prevention and control. Compared with experimental research is limited by the complexity of coal molecular structure, the quantum chemical calculation method can simplify the complex molecular structure and realize the exploration of the mechanism of CSC from the micro level. In this study, toluene and phenylacetaldehyde were used as model compounds, and the quantum chemical calculation method was adopted. The reaction pr

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Zedler, Linda, Sven Krieck, Stephan Kupfer, and Benjamin Dietzek. "Resonance Raman Spectro-Electrochemistry to Illuminate Photo-Induced Molecular Reaction Pathways." Molecules 24, no. 2 (2019): 245. http://dx.doi.org/10.3390/molecules24020245.

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Electron transfer reactions play a key role for artificial solar energy conversion, however, the underlying reaction mechanisms and the interplay with the molecular structure are still poorly understood due to the complexity of the reaction pathways and ultrafast timescales. In order to investigate such light-induced reaction pathways, a new spectroscopic tool has been applied, which combines UV-vis and resonance Raman spectroscopy at multiple excitation wavelengths with electrochemistry in a thin-layer electrochemical cell to study [RuII(tbtpy)2]2+ (tbtpy = tri-tert-butyl-2,2′:6′,2′′-terpyrid

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Kondyli, Aikaterini, and Wolfgang Schrader. "Investigation of the Behavior of Hydrocarbons during Crude Oil Fouling by High-Resolution Electrospray Ionization Mass Spectrometry." Energies 17, no. 6 (2024): 1299. http://dx.doi.org/10.3390/en17061299.

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Crude oil is probably the most complex natural chemical mixture processed in various ways to make fuel and fine chemicals among a wide range of products in industrial processing. The conditions of those industrial processes often include high temperatures, which often cause undesired chemical reactions. One of those reaction sequences is crude oil fouling, which finally results in the formation of undesired solid deposits of carbon material, a calamity that costs millions of dollars worldwide each year and produces toxic waste. However, the compounds involved in fouling, let alone the underlyi

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Zhang, Enhao, Xiumin Chen, Jie Zhou, et al. "Modeling the Carbothermal Chlorination Mechanism of Titanium Dioxide in Molten Salt Using a Deep Neural Network Potential." Materials 18, no. 3 (2025): 659. https://doi.org/10.3390/ma18030659.

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The molten salt chlorination method is one of the two main methods for producing titanium tetrachloride, an important intermediate product in the titanium industry. To effectively improve chlorination efficiency and reduce unnecessary waste salt generation, it is necessary to understand the mechanism of the molten salt chlorination reaction, and consequently this paper conducted studies on the carbon chlorination reaction mechanism in molten salts by combining ab initio molecular dynamics (AIMD) and deep potential molecular dynamics (DeePMD) methods. The use of DeePMD allowed for simulations o

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Couture, Christiane, and Anthony James Paine. "Mechanisms and models for homogeneous copper mediated ligand exchange reactions of the type: CuNu + ArX → ArNu + CuX." Canadian Journal of Chemistry 63, no. 1 (1985): 111–20. http://dx.doi.org/10.1139/v85-019.

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The title reactions are an important class of copper mediated nucleophilic aromatic substitution processes, which constitute a useful tool in the molecular design and synthesis of small molecules. We report the results of extensive investigation of these processes, primarily focussing on cyanodeiodination (ArI + CuCN → CuI + ArCN). Among the interesting features of these processes are: (a) an unusual rate equation involving autocatalysis by CuI product; (b) retardation by both excess nucleophile (as KCN) and excess leaving group (as KI), which compete with ArX to complex with CuNu; (c) only cu

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Rozprawy doktorskie na temat "Complex Reaction Mechanism - Molecular Processes"

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Ishino, So. "Physicochemical studies on reaction mechanism of molecular chaperone GroE." 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199490.

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Etienne, Michel. "Réactivité de complexes dinucléaires hydrure et alcénylidène ponte du fer vis-a-vis d'hydrocarbures cyanes insatures (mono et dicyanoacétylène, tétracyanoethylène)." Brest, 1988. http://www.theses.fr/1988BRES2009.

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Preparation de complexes avec des coordinats cyano-4 butadienyldene portants. On obtient egalement des complexes dinucleaires avec le tricyano-3,4,4 butadienylidene-1,3. Mecanisme ses reactions de migration de l'hydrogene allylique

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Rogueda, Catherine. "Etude comparee de la copolymerisation alternee du styrene et du methacrylate de methyle en solution dans le toluene ou dans le tetrachlorure de carbone." Paris 6, 1987. http://www.theses.fr/1987PA066203.

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Etude cinetique de la copolymerisation du styrene et du methacrylate de methyle en presence d'aletcl::(2) ou alet::(2)cl en solution dans du toluene ou du tetrachlorure de carbone. Analyse d'un mecanisme faisant intervenir des reactions de propagation croisees

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Sen, Kaushik. "COMPUTATIONAL STUDY OF MECHANISM AND ENERGETICS OF CHEMICAL PROCESSES INVOLVED IN MATERIAL INDUSTRY." Thesis, 2019. http://hdl.handle.net/10821/8307.

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The thesis provides insight into electronic structure, complex reaction mechanism, kinetics, and thermochemistry of molecules and processes having industrial interest employing high-level theoretical methods.An introduction to the thesis, containing five chapters, is given in the first chapter to provide an idea about the industrial chemistry. The second chapter briefly describes the computational chemistry and provides a review of theoretical methods. The remaining chapters of the thesis are based on the research papers published in reputed international journals. The original papers have bee

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Kontur, Wayne. "Kinetic investigation of the molecular processes involved in the mechanism of open complex formation between E. coli RNA polymerase and the [lambda]Pr promoter." 2006. http://www.library.wisc.edu/databases/connect/dissertations.html.

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Części książek na temat "Complex Reaction Mechanism - Molecular Processes"

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Solomon, Edward I., Christian H. Kjaergaard, and David E. Heppner. "Molecular Properties and Reaction Mechanism of Multicopper Oxidases Related to Their Use in Biofuel Cells." In Electrochemical Processes in Biological Systems. John Wiley & Sons, Inc, 2015. http://dx.doi.org/10.1002/9781118899076.ch8.

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Nakatani, Naoki, Jia-Jia Zheng, and Shigeyoshi Sakaki. "Approach of Electronic Structure Calculations to Crystal." In The Materials Research Society Series. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0260-6_11.

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AbstractNowadays, the importance of molecular crystals and solids with regular structures is increasing in both basic chemistry and applied fields. However, theoretical studies of those systems based on electronic structure theories have been limited. Although density functional theory (DFT) calculations using generalized gradient approximation type functional under periodic boundary condition is effective for such theoretical studies, we need some improvements for calculating the dispersion interaction and the excited state of crystals. Accordingly, in this chapter, two methods for calculatin

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Paro, Renato, Ueli Grossniklaus, Raffaella Santoro, and Anton Wutz. "Chromatin Dynamics." In Introduction to Epigenetics. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-68670-3_2.

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AbstractThe nucleus of a eukaryotic cell is a very busy place. Not only during replication of the DNA, but at any time in the cell cycle specific enzymes need access to genetic information to process reactions such as transcription and DNA repair. Yet, the nucleosomal structure of chromatin is primarily inhibitory to these processes and needs to be resolved in a highly orchestrated manner to allow developmental, organismal, and cell type-specific nuclear activities. This chapter explains how nucleosomes organize and structure the genome by interacting with specific DNA sequences. Variants of c

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Varfolomeev, Sergey, Bella Grigorenko, Sofya Lushchekina, Patrick Masson, Galina Mahaeva, and Alexander Nemuchin. "Human cholinesterases." In ORGANOPHOSPHORUS NEUROTOXINS. Publishing Center RIOR, 2020. http://dx.doi.org/10.29039/21_069-126.

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The work is devoted to modeling the elementary stages of the hydrolysis reaction in the active site of enzymes belonging to the class of cholinesterases — acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The study allowed to describe at the molecular level the effect of the polymorphic modification of BChE, causing serious physiolog ical consequences. Cholinesterase plays a crucial role in the human body. AChE is one of the key enzymes of the central nervous system, and BChE performs protective functions in the body. According to the results of calculations using the combined meth

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Varfolomeev, Sergey, Bella Grigorenko, Sofya Lushchekina, and Alexander Nemuchin. "Human cholinesterases." In Organophosphorous Neurotoxins. Publishing Center RIOR, 2020. http://dx.doi.org/10.29039/chapter_5e4132b5f22366.15634219.

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The work is devoted to modeling the elementary stages of the hydrolysis reaction in the active site of enzymes belonging to the class of cholinesterases — acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The study allowed to describe at the molecular level the effect of the polymorphic modification of BChE, causing serious physiolog ical consequences. Cholinesterase plays a crucial role in the human body. AChE is one of the key enzymes of the central nervous system, and BChE performs protective functions in the body. According to the results of calculations using the combined meth

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Frey, Perry A., and Adrian D. Hegeman. "Complex Enzymes." In Enzymatic Reaction Mechanisms. Oxford University Press, 2007. http://dx.doi.org/10.1093/oso/9780195122589.003.0022.

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Most enzymes discussed in the preceding chapters consist of single proteins that catalyze single biochemical reactions. Many of them contain one type of polypeptide chain, although most exist as oligomers of a polypeptide, and some consist of different polypeptides that cooperate to catalyze one reaction. Increasing attention is being focused on enzymes that catalyze more complex processes and are composed of more than one enzyme or enzymatic domain, each of which catalyzes or facilitates a specific biochemical process. These complex enzymes are the subjects of this chapter. Complex enzymes ar

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Ross, John, Igor Schreiber, and Marcel O. Vlad. "Introduction to Chemical Kinetic Processes." In Determination of Complex Reaction Mechanisms. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780195178685.003.0004.

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It is useful to have a brief discussion of some kinetic processes that we shall treat in later chapters. Some, but not all, of the material in this chapter is presented in [1] in more detail. A macroscopic, deterministic chemical reacting system consists of a number of different species, each with a given concentration (molecules or moles per unit volume). The word “macroscopic” implies that the concentrations are of the order of Avogadro’s number (about 6.02 × 1023) per liter. The concentrations are constant at a given instant, that is, thermal fluctuations away from the average concentration

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Ross, John, Igor Schreiber, and Marcel O. Vlad. "Experimental Test and Applications of Correlation Metric Construction." In Determination of Complex Reaction Mechanisms. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780195178685.003.0010.

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In this chapter we present an experimental test case of the deduction of a reaction pathway and mechanism by means of correlation metric construction from time-series measurements of the concentrations of chemical species. We choose as the system an enzymatic reaction network, the initial steps of glycolysis. Glycolysis is central in intermediary metabolism and has a high degree of regulation. The reaction pathway has been well studied and thus it is a good test for the theory. Further, the reaction mechanism of this part of glycolysis has been modeled extensively. The quantity and precision o

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Frey, Perry A., and Adrian D. Hegeman. "Decarboxylation and Carboxylation." In Enzymatic Reaction Mechanisms. Oxford University Press, 2007. http://dx.doi.org/10.1093/oso/9780195122589.003.0012.

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Decarboxylation is an essential process in catabolic metabolism of essentially all nutrients that serve as sources of energy in biological cells and organisms. The most widely known biological process leading to decarboxylation is the metabolism of glucose, in which all of the carbon in the molecule is oxidized to carbon dioxide by way of the glycolytic pathway, the pyruvate dehydrogenase complex, and the tricarboxylic acid cycle. The decarboxylation steps take place in thiamine pyrophosphate (TPP)–dependent α-ketoacid dehydrogenase complexes and isocitrate dehydrogenase. The latter enzyme doe

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Ross, John, Igor Schreiber, and Marcel O. Vlad. "Introduction." In Determination of Complex Reaction Mechanisms. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780195178685.003.0003.

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Chemical kinetics as a science has existed for more than a century. It deals with the rates of reactions and the details of how a given reaction proceeds from reactants to products. In a chemical system with many chemical species, there are several questions to be asked: What species react with what other species? In what temporal order? With what catalysts? And with what results? The answers constitute the macroscopic reaction mechanism. The process can be described macroscopically by listing the reactants, intermediates, products, and all the elementary reactions and catalysts in the reactio

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Streszczenia konferencji na temat "Complex Reaction Mechanism - Molecular Processes"

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Deshmukh, Shrirang, Bruce Brown, and David Young. "Investigating the Mechanism and Intermediates of the Oxygen Reduction Reaction." In CONFERENCE 2025. AMPP, 2025. https://doi.org/10.5006/c2025-00534.

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Abstract The Oxygen Reduction Reaction (ORR) plays a crucial role in corrosion mechanisms and the operation of electrochemical energy devices, affecting both stability and efficiency. Despite extensive research, the exact mechanisms and intermediates involved in ORR continue to be subjects of study. The literature reports a range of intermediates and mechanisms, which can be complex and, at times, contradictory. This paper conducts a comprehensive literature review with a primary focus on ORR mechanisms on steel, while also examining platinum, gold, and carbon electrodes. Recent advancements i

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Iftakher, Ashfaq, and M. M. Faruque Hasan. "Exploring Quantum Optimization for Computer-aided Molecular and Process Design." In Foundations of Computer-Aided Process Design. PSE Press, 2024. http://dx.doi.org/10.69997/sct.143809.

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Computer-aided Molecular and Process Design (CAMPD) is an equation-oriented multi-scale decision making framework for designing both materials (molecules) and processes for separation, reaction, and reactive separation whenever material choice significantly impacts process performance. The inherent nonlinearity and nonconvexity in CAMPD optimization models, introduced through the property and process models, pose challenges to state-of-the-art solvers. Recently, quantum computing (QC) has shown promise for solving complex optimization problems, especially those involving discrete decisions. Th

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Le Borgne, S., J. M. Romero, H. A. Videla, J. M. Gonzalez, and C. Saiz-Jiménez. "Practical Cases of the Use of Molecular Techniques to Characterize Microbial Deterioration of Metallic Structures in Industry." In CORROSION 2007. NACE International, 2007. https://doi.org/10.5006/c2007-07523.

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Abstract Two specific cases of applying molecular techniques for deciphering the role of microorganisms in industrial processes are presented: an offshore seawater injection system and a wastewater treatment plant. In the first case, deoxyribonucleic acid (DNA) was extracted from a water sample taken from an offshore seawater injection system and from enrichment cultures from the same sample. The V3 hypervariable region of the 16S rDNA gene was amplified by the polymerase chain reaction (PCR) and bacterial diversity was studied using denaturing gel gradient electrophoresis (DGGE). DGGE monitor

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Tom, Harry W. K., Judith A. Prybyla, and Gary D. Aumiller. "Observation of the Laser-Induced Desorption of CO from Cu(111) with 100 Femtosecond Time-Resolution." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.fd5.

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The most promising aspects of ultrafast investigations of chemical systems are the possibility of resolving reactions on the time-scale of bond-formation and bond-breaking and of understanding the microscopic dynamical processes that drive reactions. For molecules adsorbed on solid surfaces, the relevant time-scale is 100 fsec: this time is short enough to resolve molecular bond changes as well as the transfer of energy between the electronic and vibrational degrees of freedom in the substrate and substrate-adsorbate complex. We have used 100 fsec time-resolved second-harmonic generation to pr

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Wang, Shuicai, Tong Ye, Yan Cui, et al. "Investigation of the Energy Transfer and Electronic Excitation Transport in Photosystem II Reaction Center Using Time-resolved Fluorescence Spectroscopy." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1994. http://dx.doi.org/10.1364/up.1994.md.12.

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The energy transfer( ET ) and electronic excitation transport( EET ) are two important ultrafast primary processes in PS II reaction centers. All kinds of ultrafast laser spectroscopy techniques are used in the dynamic study on PS II reaction center1. Although many results have been obtained, much debate still exists on the structure and function of the reaction center, the physical mechanism and rates of the ET and EET2. In this paper we report some experimental results on the ultrafast dynamic study on the ET and EET in the PS II reaction center. The PS II reaction center, D1/D2/cyt-b559 com

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Bluestein, Danny, João S. Soares, Peng Zhang, et al. "Multiscale Modeling of Flow Induced Thrombogenicity Using Dissipative Particle Dynamics and Molecular Dynamics." In ASME 2013 2nd Global Congress on NanoEngineering for Medicine and Biology. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/nemb2013-93094.

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The coagulation cascade of blood may be initiated by flow induced platelet activation, which prompts clot formation in prosthetic cardiovascular devices and arterial disease processes. While platelet activation may be induced by biochemical agonists, shear stresses arising from pathological flow patterns enhance the propensity of platelets to activate and initiate the intrinsic pathway of coagulation, leading to thrombosis. Upon activation platelets undergo complex biochemical and morphological changes: organelles are centralized, membrane glycoproteins undergo conformational changes, and adhe

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Zhang, Peng, Jawaad Sheriff, João S. Soares, et al. "Multiscale Modeling of Flow Induced Thrombogenicity Using Dissipative Particle Dynamics and Coarse Grained Molecular Dynamics." In ASME 2013 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/sbc2013-14187.

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The coagulation cascade of blood may be initiated by flow induced platelet activation, which prompts clot formation in prosthetic cardiovascular devices and arterial disease processes. While platelet activation may be induced by biochemical agonists, shear stresses arising from pathological flow patterns enhance the propensity of platelets to activate and initiate the intrinsic pathway of coagulation, leading to thrombosis. Upon activation platelets undergo complex biochemical and morphological changes: organelles are centralized, membrane glycoproteins undergo conformational changes, and adhe

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Bluestein, Danny, João S. Soares, Peng Zhang, et al. "Multiscale Modeling of Flow Induced Thrombogenicity With Dissipative Particle Dynamics (DPD) and Molecular Dynamics (MD)." In ASME 2013 Conference on Frontiers in Medical Devices: Applications of Computer Modeling and Simulation. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/fmd2013-16176.

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The coagulation cascade of blood may be initiated by flow induced platelet activation, which prompts clot formation in prosthetic cardiovascular devices and arterial disease processes. While platelet activation may be induced by biochemical agonists, shear stresses arising from pathological flow patterns enhance the propensity of platelets to activate and initiate the intrinsic pathway of coagulation, leading to thrombosis. Upon activation platelets undergo complex biochemical and morphological changes: organelles are centralized, membrane glycoproteins undergo conformational changes, and adhe

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Haoan, Dong, Li Zhiyong, Jin Xingyu, Cen Haotian, and Xu Ruixing. "A Novel Method for Investigating the Solidification Behavior and Mechanisms of Chemical Plugging Materials Based on Molecular Simulation." In SPE International Conference on Oilfield Chemistry. SPE, 2025. https://doi.org/10.2118/224228-ms.

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Summary This study introduces a novel approach for investigating the consolidation behavior and mechanism of chemical plugging materials. The proposed method leverages molecular simulation techniques to calculate the electrostatic potential and interaction energy of epoxy resin-based plugging material molecules. The interaction region indicator (IRI) analysis method was employed to elucidate intermolecular forces. The results reveal that the epoxy groups in the plugging material exhibit significant negative electrostatic potential, while the amine groups in the curing agent display pronounced

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Wang, Jingru, Yuetian Liu, Yuting He, et al. "Stress Corrosion Cracking in Carbonates Initiated by Carbonic Acid, A Reactive Molecular Dynamic Simulation." In 58th U.S. Rock Mechanics/Geomechanics Symposium. ARMA, 2024. http://dx.doi.org/10.56952/arma-2024-0078.

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ABSTRACT: As the greenhouse effect gradually intensifies, addressing CO2 as the primary greenhouse gas has become a pressing concern. Currently, the predominant carbon sequestration technique involves storing CO2 in reservoirs or saline aquifers. However, CO2 readily dissolves in water, forming carbonic acid, which can compromise geological formations and lead to stress corrosion cracking. Stress corrosion cracking (SCC), a chemical activation mechanism, involves fluid adsorption on crack surfaces and fluid-assisted crack propagation. While there is extensive research on the stress corrosion c

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Raporty organizacyjne na temat "Complex Reaction Mechanism - Molecular Processes"

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Morrison, Mark, and Joshuah Miron. Molecular-Based Analysis of Cellulose Binding Proteins Involved with Adherence to Cellulose by Ruminococcus albus. United States Department of Agriculture, 2000. http://dx.doi.org/10.32747/2000.7695844.bard.

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At the beginning of this project, it was clear that R. albus adhered tightly to cellulose and its efficient degradation of this polysaccharide was dependent on micromolar concentrations of phenylacetic acid (PAA) and phenylpropionic acid (PPA). The objectives for our research were: i) to identify how many different kinds of cellulose binding proteins are produced by Ruminococcus albus; ii) to isolate and clone the genes encoding some of these proteins from the same bacterium; iii) to determine where these various proteins were located and; iv) quantify the relative importance of these proteins

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Banin, Amos, Joseph Stucki, and Joel Kostka. Redox Processes in Soils Irrigated with Reclaimed Sewage Effluents: Field Cycles and Basic Mechanism. United States Department of Agriculture, 2004. http://dx.doi.org/10.32747/2004.7695870.bard.

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The overall objectives of the project were: (a) To measure and study in situ the effect of irrigation with reclaimed sewage effluents on redox processes and related chemical dynamics in soil profiles of agricultural fields. (b) To study under controlled conditions the kinetics and equilibrium states of selected processes that affect redox conditions in field soils or that are effected by them. Specifically, these include the effects on heavy metals sorption and desorption, and the effect on pesticide degradation. On the basis of the initial results from the field study, increased effort was de

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Tzfira, Tzvi, Michael Elbaum, and Sharon Wolf. DNA transfer by Agrobacterium: a cooperative interaction of ssDNA, virulence proteins, and plant host factors. United States Department of Agriculture, 2005. http://dx.doi.org/10.32747/2005.7695881.bard.

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Agrobacteriumtumefaciensmediates genetic transformation of plants. The possibility of exchanging the natural genes for other DNA has led to Agrobacterium’s emergence as the primary vector for genetic modification of plants. The similarity among eukaryotic mechanisms of nuclear import also suggests use of its active elements as media for non-viral genetic therapy in animals. These considerations motivate the present study of the process that carries DNA of bacterial origin into the host nucleus. The infective pathway of Agrobacterium involves excision of a single-stranded DNA molecule (T-strand

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Ohad, Nir, and Robert Fischer. Regulation of plant development by polycomb group proteins. United States Department of Agriculture, 2008. http://dx.doi.org/10.32747/2008.7695858.bard.

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Our genetic and molecular studies have indicated that FIE a WD-repeat Polycomb group (PcG) protein takes part in multi-component protein complexes. We have shown that FIE PcG protein represses inappropriate programs of development during the reproductive and vegetative phases of the Arabidopsis life cycle. Moreover, we have shown that FIE represses the expression of key regulatory genes that promote flowering (AG and LFY), embryogenesis (LEC1), and shoot formation (KNAT1). These results suggest that the FIE PcG protein participates in the formation of distinct PcG complexes that repress inappr

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Chamovitz, Daniel, and Albrecht Von Arnim. Translational regulation and light signal transduction in plants: the link between eIF3 and the COP9 signalosome. United States Department of Agriculture, 2006. http://dx.doi.org/10.32747/2006.7696515.bard.

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The COP9 signalosome (CSN) is an eight-subunit protein complex that is highly conserved among eukaryotes. Genetic analysis of the signalosome in the plant model species Arabidopsis thaliana has shown that the signalosome is a repressor of light dependent seedling development as mutant Arabidopsis seedlings that lack this complex develop in complete darkness as if exposed to light. These mutant plants die following the seedling stage, even when exposed to light, indicating that the COP9 signalosome also has a central role in the regulation of normal photomorphogenic development. The biochemical

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Christopher, David A., and Avihai Danon. Plant Adaptation to Light Stress: Genetic Regulatory Mechanisms. United States Department of Agriculture, 2004. http://dx.doi.org/10.32747/2004.7586534.bard.

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Original Objectives: 1. Purify and biochemically characterize RB60 orthologs in higher plant chloroplasts; 2. Clone the gene(s) encoding plant RB60 orthologs and determine their structure and expression; 3. Manipulate the expression of RB60; 4. Assay the effects of altered RB60 expression on thylakoid biogenesis and photosynthetic function in plants exposed to different light conditions. In addition, we also examined the gene structure and expression of RB60 orthologs in the non-vascular plant, Physcomitrella patens and cloned the poly(A)-binding protein orthologue (43 kDa RB47-like protein).

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Lers, Amnon, and Pamela J. Green. LX Senescence-Induced Ribonuclease in Tomato: Function and Regulation. United States Department of Agriculture, 2003. http://dx.doi.org/10.32747/2003.7586455.bard.

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Natural leaf senescence, which occurs even when growth conditions are near optimal, has a negative influence on yield. Postharvest induced senescence contributes to the losses of quality in flowers, foliage, and vegetables. Strategies designed to control the senescence process in crop plants could therefore have great applied significance. However, the successful design of such strategies requires a better insight into the senescence machinery and control in higher plants. A main feature of senescence is the hydrolysis of macromolecules by hydrolases of various types such as ribonucleases (RNa

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