Relevant bibliographies by topics / Enzymatic catalysi

Academic literature on the topic 'Enzymatic catalysi'

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Published: 9 March 2023
Last updated: 10 March 2023

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Journal articles on the topic "Enzymatic catalysi"

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Zeynalov, Eldar, and Tofik Nagiev. "Enzymatic Catalysis of Hydrocarbons Oxidation “in vitro” (Review)." Chemistry & Chemical Technology 9, no. 2 (May 15, 2015): 157–64. http://dx.doi.org/10.23939/chcht09.02.157.

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Sarkar, Abhra, and Siddharth Pandey. "Applications of Ionic Liquids in Green Catalysis: A Review of Recent Efforts." Current Catalysis 10, no. 3 (December 2021): 165–78. http://dx.doi.org/10.2174/2211544710666211119095007.

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: Ionic Liquids (ILs) in their neoteric form have emerged to be a potential ‘green’ alternative to traditional Volatile Organic Compounds (VOCs) as solvents in different fields of industries and academia. Recent investigations on the development of multi-faceted applications of ionic liquids have revealed that they really stand for “environmentally-benign” solvents as far as their impact on the ecology is concerned. This caused them to be an exciting and lucrative subject to explore more and more, and many research groups are involved in the manifestation of their inherent undisclosed legacy. Recently, there has been a huge jump in search of an alternative to conventional metal catalysts in academia as well as in industries due to their pollution-evoking roles. Scientists have explored multiple numbers of homogeneous or heterogeneous mixtures of catalysts incorporating ionic liquids to reduce the extent of contamination in our global environment produced due to catalytic synthesis and chemical transformations. In this review, we have put our concentration on some beneficial and recently explored aspects of the successful implementation of Ionic Liquids in different forms in several fields of catalysis as a ‘green’ alternative catalyst/co-catalyst/solvent for catalysis to replace or minimize the lone and hazardous use of metal and metallic compounds as catalysts as well as chemicals like mineral acids or VOCs as solvents. Here, our study focuses on the inevitable role of ILs in several catalytic reactions like cycloaddition of CO2, electrolytic reduction of CO2, biocatalytic or enzymatic reactions, some of the important organic conversions, and biomass to biofuel conversion as catalysts, cocatalysts, catalyst activator, and solvents.
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Khan, Haris Mahmood, Tanveer Iqbal, Saima Yasin, Muhammad Irfan, Muhammad Mujtaba Abbas, Ibham Veza, Manzoore Elahi M. Soudagar, Anas Abdelrahman, and Md Abul Kalam. "Heterogeneous Catalyzed Biodiesel Production Using Cosolvent: A Mini Review." Sustainability 14, no. 9 (April 22, 2022): 5062. http://dx.doi.org/10.3390/su14095062.

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Biodiesel is gaining recognition as a good replacement for typical diesel owing to its renewability, sustainability, and eco-friendly nature. Transesterification is the leading route for biodiesel generation, which occurs during homogeneous/heterogeneous/enzymatic catalysis. Besides this, the usage of heterogeneous catalysts is considered more advantageous over homogeneous catalysts due to the easy catalyst recovery. Consequently, numerous heterogeneous catalysts have been synthesized from multiple sources with the intention of making the manufacturing process more efficient and cost-effective. Alongside this, numerous researchers have attempted to improve the biodiesel yield using heterogeneous catalysts by introducing cosolvents, such that phase limitation between oil and alcohol can be minimized. This short review is aimed at examining the investigations performed to date on heterogeneously catalyzed biodiesel generation in the presence of different cosolvents. It encompasses the techniques for heterogeneous catalyst synthesis, reported in the literature available for heterogeneous catalyzed biodiesel generation using cosolvents and their effects. It also suggests that the application of cosolvent in heterogeneously catalyzed three-phase systems substantially reduces the mass transfer limitation between alcohol and oil phases, which leads to enhancements in biodiesel yield along with reductions in values of optimized parameters, with catalyst weight ranges from 1 to 15 wt. %, and alcohol/oil ratio ranges from 5.5 to 20. The reaction time for getting the maximum conversion ranges from 10 to 600 min in the presence of different cosolvents. Alongside this, most of the time, the biodiesel yield remained above 90% in the presence of cosolvents.
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Selvi, E. Thamarai, G. Kavinilavu, and A. Subramani. "Recent Advances Review on Iron Complexes as Catalyst in Oxidation Reactions of Organic Compounds." Asian Journal of Chemistry 34, no. 8 (2022): 1921–38. http://dx.doi.org/10.14233/ajchem.2022.23704.

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The complexes of iron are found to be too reactive and are too diverse in their reactivity, when compared to the other neighbouring metals in the group. Iron complexes are used in various catalytic reactions such as oxygenation of C–H bonds, the oxidation of alcohols to aldehydes, ketones (or) carboxylic acids, the epoxidation or dihydroxylation of alkenes and oxidative coupling reactions. Efforts are taken to avoid certain disadvantages taking place during enzymatic catalysis such as the temperature and solvent sensitivity, narrow substrate scope, restricted accessibility and so on observed while using other catalysts via iron enzymes. This helped in the various synthesis of complex molecules by increase in the number of iron catalyst systems for the oxidation reactions.
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Köhler, Valentin, and Nicholas J. Turner. "Artificial concurrent catalytic processes involving enzymes." Chemical Communications 51, no. 3 (2015): 450–64. http://dx.doi.org/10.1039/c4cc07277d.

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Calderini, Elia, Philipp Süss, Frank Hollmann, Rainer Wardenga, and Anett Schallmey. "Two (Chemo)-Enzymatic Cascades for the Production of Opposite Enantiomers of Chiral Azidoalcohols." Catalysts 11, no. 8 (August 17, 2021): 982. http://dx.doi.org/10.3390/catal11080982.

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Multi-step cascade reactions have gained increasing attention in the biocatalysis field in recent years. In particular, multi-enzymatic cascades can achieve high molecular complexity without workup of reaction intermediates thanks to the enzymes’ intrinsic selectivity; and where enzymes fall short, organo- or metal catalysts can further expand the range of possible synthetic routes. Here, we present two enantiocomplementary (chemo)-enzymatic cascades composed of either a styrene monooxygenase (StyAB) or the Shi epoxidation catalyst for enantioselective alkene epoxidation in the first step, coupled with a halohydrin dehalogenase (HHDH)-catalysed regioselective epoxide ring opening in the second step for the synthesis of chiral aliphatic non-terminal azidoalcohols. Through the controlled formation of two new stereocenters, corresponding azidoalcohol products could be obtained with high regioselectivity and excellent enantioselectivity (99% ee) in the StyAB-HHDH cascade, while product enantiomeric excesses in the Shi-HHDH cascade ranged between 56 and 61%.
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Shteinman, Albert A. "Metallocavitins as Advanced Enzyme Mimics and Promising Chemical Catalysts." Catalysts 13, no. 2 (February 15, 2023): 415. http://dx.doi.org/10.3390/catal13020415.

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The supramolecular approach is becoming increasingly dominant in biomimetics and chemical catalysis due to the expansion of the enzyme active center idea, which now includes binding cavities (hydrophobic pockets), channels and canals for transporting substrates and products. For a long time, the mimetic strategy was mainly focused on the first coordination sphere of the metal ion. Understanding that a highly organized cavity-like enzymatic pocket plays a key role in the sophisticated functionality of enzymes and that the activity and selectivity of natural metalloenzymes are due to the effects of the second coordination sphere, created by the protein framework, opens up new perspectives in biomimetic chemistry and catalysis. There are two main goals of mimicking enzymatic catalysis: (1) scientific curiosity to gain insight into the mysterious nature of enzymes, and (2) practical tasks of mankind: to learn from nature and adopt from its many years of evolutionary experience. Understanding the chemistry within the enzyme nanocavity (confinement effect) requires the use of relatively simple model systems. The performance of the transition metal catalyst increases due to its retention in molecular nanocontainers (cavitins). Given the greater potential of chemical synthesis, it is hoped that these promising bioinspired catalysts will achieve catalytic efficiency and selectivity comparable to and even superior to the creations of nature. Now it is obvious that the cavity structure of molecular nanocontainers and the real possibility of modifying their cavities provide unlimited possibilities for simulating the active centers of metalloenzymes. This review will focus on how chemical reactivity is controlled in a well-defined cavitin nanospace. The author also intends to discuss advanced metal–cavitin catalysts related to the study of the main stages of artificial photosynthesis, including energy transfer and storage, water oxidation and proton reduction, as well as highlight the current challenges of activating small molecules, such as H2O, CO2, N2, O2, H2, and CH4.
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Monkcom, Emily C., Pradip Ghosh, Emma Folkertsma, Hidde A. Negenman, Martin Lutz, and Robertus J. M. Klein Gebbink. "Bioinspired Non-Heme Iron Complexes: The Evolution of Facial N, N, O Ligand Design." CHIMIA International Journal for Chemistry 74, no. 6 (June 24, 2020): 450–66. http://dx.doi.org/10.2533/chimia.2020.450.

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Iron-containing metalloenzymes that contain the 2-His-1-Carboxylate facial triad at their active site are well known for their ability to activate molecular oxygen and catalyse a broad range of oxidative transformations. Many of these reactions are synthetically challenging, and developing small molecular iron-based catalysts that can achieve similar reactivity and selectivity remains a long-standing goal in homogeneous catalysis. This review focuses on the development of bioinspired facial N,N,O ligands that model the 2-His-1-Carboxylate facial triad to a greater degree of structural accuracy than many of the polydentate N-donor ligands commonly used in this field. By developing robust, well-defined N,N,O facial ligands, an increased understanding could be gained of the factors governing enzymatic reactivity and selectivity.
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Timson, David J. "Four Challenges for Better Biocatalysts." Fermentation 5, no. 2 (May 9, 2019): 39. http://dx.doi.org/10.3390/fermentation5020039.

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Biocatalysis (the use of biological molecules or materials to catalyse chemical reactions) has considerable potential. The use of biological molecules as catalysts enables new and more specific syntheses. It also meets many of the core principles of “green chemistry”. While there have been some considerable successes in biocatalysis, the full potential has yet to be realised. This results, partly, from some key challenges in understanding the fundamental biochemistry of enzymes. This review summarises four of these challenges: the need to understand protein folding, the need for a qualitative understanding of the hydrophobic effect, the need to understand and quantify the effects of organic solvents on biomolecules and the need for a deep understanding of enzymatic catalysis. If these challenges were addressed, then the number of successful biocatalysis projects is likely to increase. It would enable accurate prediction of protein structures, and the effects of changes in sequence or solution conditions on these structures. We would be better able to predict how substrates bind and are transformed into products, again leading to better enzyme engineering. Most significantly, it may enable the de novo design of enzymes to catalyse specific reactions.
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Karukurichi, Kannan R., Xiang Fei, Robert A. Swyka, Sylvain Broussy, Weijun Shen, Sangeeta Dey, Sandip K. Roy, and David B. Berkowitz. "Mini-ISES identifies promising carbafructopyranose-based salens for asymmetric catalysis: Tuning ligand shape via the anomeric effect." Science Advances 1, no. 6 (July 2015): e1500066. http://dx.doi.org/10.1126/sciadv.1500066.

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This study introduces new methods of screening for and tuning chiral space and in so doing identifies a promising set of chiral ligands for asymmetric synthesis. The carbafructopyranosyl-1,2-diamine(s) and salens constructed therefrom are particularly compelling. It is shown that by removing the native anomeric effect in this ligand family, one can tune chiral ligand shape and improve chiral bias. This concept is demonstrated by a combination of (i) x-ray crystallographic structure determination, (ii) assessment of catalytic performance, and (iii) consideration of the anomeric effect and its underlying dipolar basis. The title ligands were identified by a new mini version of the in situ enzymatic screening (ISES) procedure through which catalyst-ligand combinations are screened in parallel, and information on relative rate and enantioselectivity is obtained in real time, without the need to quench reactions or draw aliquots. Mini-ISES brings the technique into the nanomole regime (200 to 350 nmol catalyst/20 μl organic volume) commensurate with emerging trends in reaction development/process chemistry. The best-performing β-d-carbafructopyranosyl-1,2-diamine–derived salen ligand discovered here outperforms the best known organometallic and enzymatic catalysts for the hydrolytic kinetic resolution of 3-phenylpropylene oxide, one of several substrates examined for which the ligand is “matched.” This ligand scaffold defines a new swath of chiral space, and anomeric effect tunability defines a new concept in shaping that chiral space. Both this ligand set and the anomeric shape-tuning concept are expected to find broad application, given the value of chiral 1,2-diamines and salens constructed from these in asymmetric catalysis.
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Dissertations / Theses on the topic "Enzymatic catalysi"

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AVRAMIDOU, KALLIOPI. "BIOCATALYSIS FOR BIOMASS VALORIZATION: PROTEIN HYDROLYSATES AND SUGAR ESTERS FROM AGRI-FOOD WASTES." Doctoral thesis, Università degli Studi di Milano, 2020. http://hdl.handle.net/2434/704558.

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During this doctorate work, two research topics have been studied within the aim of valorization of waste and by-products derived from the agri-food industry using a biotechnological approach for the production of high-value chemicals. The first topic was the preparation and characterization of hydrolysates from rice bran protein. Rice bran (RB) is a waste derived from the milling process of the rice and is a rich source of highly nutritional proteins, lipids, carbohydrates, and a number of micronutrients (e.g. vitamins, minerals, antioxidants, and phytosterols). The sequential treatment of RB with carbohydrases and proteases was used to prepare mixtures of water-soluble peptides which were tested for their biological activity (ACE-inhibition) and as flavor enhancers. Carbohydrases, that catalyze the hydrolysis of the glycosidic linkages of rice bran polysaccharides, enhanced the extractability of the entrapped protein components. Then, proteases (Flavourzyme or/and Alcalase) allowed converting the protein fraction of rice bran into mixtures of more water-soluble peptides. The prepared samples were submitted to ultrafiltration by using membranes with molecular weight cut-off of 10, 5 and 1 kDa and characterized by SDS-PAGE (Sodium dodecyl sulphate-polyacrylamide gel electrophoresis), Gel Permeation Chromatography (GPC) and by sensory analysis. All samples with a molecular weight under 10 kDa exhibited ACE-inhibitory activity. The highest activity was found for the samples P4’’ (68.70%) with a molecular weight under 1 kDa and P2’ (60.19 %) with a molecular weight under 5 kDa and the lowest activity for the sample “P5” (20.28 %) with a molecular weight under 5 kDa. It is noticeable that the choice of the enzyme for the first step treatment (carbohydrases) has a great effect on the ACE – inhibitory activity of the final hydrolysate. Interestingly, the sensory analysis revealed that the resulting protein hydrolysates exert only sweet and umami taste. It should be mentioned that the bitter taste was completely eliminated, which could be considered very promising for the application and utilization of the rice bran protein hydrolysates as food enhancers. The second topic of this PhD work was the enzymatic synthesis of sugar-fatty acid esters that can be used as bio-surfactants. Surfactants constitute an important class of chemicals widely used in almost every sector of industry. Environmental and health concerns about the effects of the conventional surfactants have increased the demand for surfactants from natural raw materials that possess good biodegradability and low toxicity, along with the desired functional performance. Sugar fatty acid esters (SFAEs), usually called sugar esters, are fully biodegradable, non-ionic surfactants which are characterized by excellent emulsifying, stabilizing and detergency properties. Depending on carbon chain length and nature of the sugar head group, together with the many possibilities for linkage between the hydrophilic sugar and the hydrophobic alkyl chain, SFAEs cover a wide range of hydrophilic-lipophilic balance (HLB) values which result in tunable surfactant properties. Chemical synthesis of SFAEs requires harsh reaction conditions which result, in most cases, in complex mixtures of isomers and by-products. Enzyme-based synthesis is an alternative strategy that can overcome the above-mentioned drawbacks. Sugar fatty acid esters can be prepared, indeed, through an esterification reaction between a sugar and a fatty acid catalyzed by a lipase. SFAEs, including glucose monooleate (GluMO), monostearate (GluMS), monopalmitate (GluMP), monolaurate (GluML), and galactose monooleate (GalMO), monostearate (GalMS), monopalmitate (GalMP), monolaurate (GalML), were synthesized by enzymatic esterification of fatty acids and the corresponding sugar. After a screening of several lipases both in free and immobilized form, an immobilized lipase CALB (Candida antarctica lipase B) was selected as the biocatalyst to promote the ester bond formation. Reactions were carried out in organic solvent by using molecular sieves (4 Å) to scavenge the water by-product and thus shift the reaction toward sugar ester formation. Reaction yields and product characterization were assessed by NMR. Rational design of enzymatic reactions was carried out by using the synthesis of GluMP as the model reaction. Sugar: fatty acid ratio, temperature, and reaction time were selected as variables (response: product yield).
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Debuissy, Thibaud. "Development of new polyesters by organometallic and enzymatic catalysis." Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAE003/document.

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Dans un contexte du développement durable, de nouvelles architectures macromoléculaires biosourcées ont été synthétisées à partir de synthons (diacides et diols) pouvant être obtenus par voies fermentaires à partir de sources carbonées issues de la biomasse. Dans un premier temps, différents copolyesters aliphatiques ont été synthétisés en masse, à l’aide d’un catalyseur organométallique à base de titane, à partir de diacides (acides succinique et adipique) et de diols (1,3-propanediol, 1,4-butanediol et 2,3-butanediol) courts. Dans un deuxième temps, des architectures macromoléculaires similaires ont été obtenues par catalyse enzymatique en solution à l’aide de la lipase B de Candida antarctica. L’influence de la longueur et de la structure des monomères sur leur réactivité en présence de la lipase a été particulièrement étudiée. Dans un troisième et dernier temps, des architectures macromoléculaires à base d’oligomères hydroxytéléchéliques d’un polyester bactérien : le poly((R)-3-hydroxybutyrate) (PHB)tels que des poly(ester-éther-uréthane)s et des copolyesters ont été obtenues soit par couplage de chaîne à l’aide d’un diisocyanate, ou par transestérification organométallique et enzymatique. Ces études ont permis d’analyser en détail l’effet de l’addition des synthons biosourcés dans les architectures macromoléculaires et notamment sur la structure cristalline, la stabilité thermique et les propriétés thermiques et optiques de ces polymères. De plus, le grand potentiel de la catalyse enzymatique pour la synthèse de polyesters et celui de l’utilisation d’oligomères de PHB pour l’élaboration de nouveaux matériaux performants ont pu être largement démontrés
In the context of sustainable development, new biobased and aliphatic macromolecular architectures were synthesized from building blocks that can be obtained by fermentation routes using carbon sources from the biomass. First, several aliphatic copolyesters were synthesized in bulk from short dicarboxylic acids (such as succinic and adipic acids) and diols (such as 1,3-propanediol, 1,4-butanediol and 2,3-butanediol) by organometallic catalysis using an effective titanium-based catalyst. In a second time, similar macromolecular architectures were synthesized by an enzymatic process in solution using Candida antarctica lipase B as catalyst. The influence of the alkyl chain length and the structure of monomers on their reactivity toward the lipase were particularly discussed. In the third and last part, new macromolecular architectures based on hydroxytelechelic oligomers of a bacterial polyester: poly((R)-3-hydroxybutyrate) (PHB), such as poly(ester-ether-urethane)s and copolyesters, were obtained by either chain-coupling using a diisocyanate, or organometallic and enzymatic transesterification, respectively.These studies permitted to determine a close relationship between the effect of the building blocks structure integrated in the final macromolecular architectures and the intrinsic properties, such as the crystalline structure, the thermal stability and the thermal and optical properties, of these polymers. In addition, the great potential of the lipase-catalyzed synthesis of polyesters and the use of PHB oligomers for developing new high performance materials has been clearly established
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Shang, Shiying. "A Dynamical Perspective on Enzymatic Catalysis." W&M ScholarWorks, 2002. https://scholarworks.wm.edu/etd/1539626362.

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Semlitsch, Stefan. "Building blocks for polymer synthesis by enzymatic catalysis." Doctoral thesis, KTH, Industriell bioteknologi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-212499.

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The search for alternatives to oil-based monomers has sparked interest for scientists to focus on the use of renewable resources for energy production, for the synthesis of polymeric materials and in other areas. With the use of renewable resources, scientists face new challenges to first isolate interesting molecules and then to process them. Enzymes are nature’s own powerful catalysts and display a variety of activities. They regulate important functions in life. They can also be used for chemical synthesis due to their efficiency, selectivity and mild reaction conditions. The selectivity of the enzyme allows specific reactions enabling the design of building blocks for polymers. In the work presented here, a lipase (Candida antarctica lipase B (CalB)) was used to produce building blocks for polymers. An efficient route was developed to selectively process epoxy-functional fatty acids into resins with a variety of functional groups (maleimide, oxetane, thiol, methacrylate). These oligoester structures, based on epoxy fatty acids from birch bark and vegetable oils, could be selectively cured to form thermosets with tailored properties. The specificity of an esterase with acyl transfer activity from Mycobacterium smegmatis (MsAcT) was altered by rational design. The produced variants increased the substrate scope and were then used to synthesize amides in water, where the wild type showed no conversion. A synthetic procedure was developed to form mixed dicarboxylic esters by selectively reacting only one side of divinyl adipate in order to introduce additional functional groups.

QC 20170823

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Sasi, Mohamed S. "Enzymatic and non-enzymatic catalysis of phosphoryl and sulfuryl transfer relevant to biological systems." Thesis, University of Sheffield, 2013. http://etheses.whiterose.ac.uk/3906/.

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Cater, Philip A. "Chemo-enzymatic studies using hydrolases and dehydrogenases." Thesis, University of Warwick, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.340552.

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Crawford, Luke. "Mechanistic insights into enzymatic and homogeneous transition metal catalysis from quantum-chemical calculations." Thesis, University of St Andrews, 2015. http://hdl.handle.net/10023/7818.

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Catalysis is a key area of chemistry. Through catalysis it is possible to achieve better synthetic routes, exploit molecules normally considered to be inactive and also attain novel chemical transformations. The development of new catalysts is crucial to furthering chemistry as a field. Computational chemistry, arising from applying the equations of quantum and classical mechanics to solving chemical problems, offers an essential route to investigating the underlying atomistic detail of catalysis. In this thesis calculations have been applied towards studying a number of different catalytic processes. The processing of renewable chemical sources via homogeneous reactions, specifically cardanol from cashew nuts, is discussed. All routes examined for monoreduction of a diene model by [Ru(H)(iPrOH)(Cl)(C₆H₆)] and [Ru(H)(iPrOH)(C₆H₆)]⁺ are energetically costly and would allow for total reduction of the diene if they were operating. While this accounts for the need of high temperatures, further work is required to elucidate the true mechanism of this small but surprisingly complex system. Gold-mediated protodecarboxylation was examined in tandem with experiment to find the subtle steric and electronic effects that dictate CO₂ extrusion from gold N-heterocyclic carbene activated benzene-derived carboxylic acids. The origin of a switch in the rate limiting step from decarboxylation to protodeauration with less activated substrates was also clearly demonstrated. Studies of gold systems are closed with examinations of 1,2-difluorobenzene C–H activation and CO₂ insertion by [Au(IPr)(OH)]. Calculations highlight that the proposed mechanism for oxazole-derived substrates cannot be extended to 1,2-difluorobenzene and instead a digold complex offers more congruent predicted kinetics. The lens of quantum chemistry was turned upon palladium-mediated methoxycarbonylation reactions. An extensive study was undertaken to attempt to understand the bidentate diphosphine ligand dependency on forming either methylpropanoate (MePro) or copolymers. Mechanisms currently suggested in literature are shown to be incongruous with the formation of MePro by Pd(OAc)₂ and bulky diphosphines. A possible alternative route is proposed in this thesis. Four mechanisms for methoxycarbonylation with Pd(2-PyPPh₂)ₙ are detailed. The most accessible route is found to be congruent with experimental reports of selectivity, acid dependency and slight steric modifications. A modification of 2-PyPPh₂ to 2-(4-NMe₂-6-Me)PyPPh₂ is shown to improve both selectivity and turnover, the latter by four orders of magnitude (highest transition state from 22.9 kcal/mol to 16.7 kcal/mol ∆G), and this new second generation in silico designed ligand is studied for its applicability to wider substrate scope and different solvents. The final chapter of this thesis is a mixed quantum mechanics and molecular mechanics (QM/MM) examination of an enzymatic reaction, discussing the need for certain conditions and the role of particular amino acid residues in an S[sub]N2 hydrolysis reaction.
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Romero, Rivera Adrian. "Computational studies of enzymatic and biomimetic catalysts." Doctoral thesis, Universitat de Girona, 2018. http://hdl.handle.net/10803/666175.

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Enzymes are the most efficient biocatalysts in Nature. However, biocatalysts in general are not capable of catalyzing reactions for industrial purposes. Hence, biocatalysts need to be engineered by introducing mutations in the active site or at distal positions in the enzyme, thereby inducing changes in the conformational dynamics of enzymes. In this thesis an analysis of conformational dynamics of several enzymes has been developed by using computational tools for understanding how their conformational dynamics affect the enzyme function. Biomimetic chemistry seeks to design novel efficient metal-based organocatalysts mimicking the structure-function from the enzyme’s active site. In this thesis detailed mechanism pathways for EUK-8 salen ligand have been proposed through computational tools. 57Fe Mössbauer spectroscopy is a technique that provides information about the chemical nature of Iron systems, regardless of its spin and oxidation states. Since the Mössbauer spectra is not always straightforward to analyze, this new computational analysis performed will support experimental Mössbauer data for helping to characterize Fe-based systems.
Els enzims són els catalitzadors més eficients que existeixen a la Natura. No obstant, en general no són capaços de catalitzar reaccions importants per a propòsits industrials. Per tant, calen ser modificats introduint mutacions en el centre actiu o en posicions llunyanes, alterant així la seva dinàmica conformacional. En aquesta tesi s'ha realitzat un anàlisi centrat en la dinàmica conformacional de diferents enzims fent servir eines computacionals. La química biomimètica cerca dissenyar nous organocatalitzadors eficients imitant la funció estructural del centre actiu de l’enzim. En aquesta tesi es presenta el mecanisme detallat pel lligand EUK-8 salen per tal de poder-ne millorar la seva activitat catalasa. L’espectroscòpia Mössbauer de 57Fe és una tècnica que proporciona informació sobre la naturalesa química dels sistemes de Ferro, respecte els estat d’espín i d’oxidació. Com que els espectres de Mössbauer no sempre són fàcils d’analitzar, el nou mètode desenvolupat ajudarà a analitzar les dades experimentals de Mössbauer i també a caracteritzar les diferents espècies de Fe.
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Tomaino, Andrew R. "Layer-by-Layer Assemblies for Membrane-Based Enzymatic Catalysis." UKnowledge, 2014. http://uknowledge.uky.edu/cme_etds/38.

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While considerable progress has been made towards understanding the effect that membrane-based layer-by-layer (LbL) immobilizations have on the activity and stability of enzymatic catalysis, detailed work is required in order to fundamentally quantify and optimize the functionalization and operating conditions that define these properties. This work aims to probe deeper into the nature of transport mechanisms by use of pressure-induced, flow-driven enzymatic catalysis of LbL-functionalized hydrophilized poly(vinyldiene) (PVDF)-poly(acrylic acid) (PAA)-poly(allylamine hydrochloride) (PAH)-glucose oxidase (GOx) membranes. These membranes were coupled in a sealed series following cellulose acetate (CA) membranes for the elimination of product accumulation within the feed-side solution during operation. At pH = 6 and T = 21oC, the enzymatic catalysis of LbL-immobilized GOx from Aspergillus niger performed remarkably well in comparison to the homogeneous-phase catalysis within an analogous aqueous solution. On average, the enzymatic turnover was 0.0123 and 0.0076 mmol/(mg-GOx)(min) for the homogeneous-phase catalysis and the LbL-immobilized catalysis, respectively. Multiple consecutive permeations resulted in replicable observed kinetic results with R2 > 0.95. Permeations taking place over the course of a three week trial period resulted in a retention of >90% normalized activity when membranes were removed when not in use and stored at -20oC, whereas the homogenous-phase kinetics dropped below 90% normalized activity in under one day.
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Sen, Mustafa Yasin. "Green Polymer Chemistry: Functionalization of Polymers Using Enzymatic Catalysis." University of Akron / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=akron1258422775.

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Books on the topic "Enzymatic catalysi"

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1934-, Morokuma K., and Musaev Djamaladdin G, eds. Computational modeling for homogeneous and enzymatic catalysis: A knowledge-base for designing efficient catalysts. Weinheim: Wiley-VCH, 2008.

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F, Swiegers Gerhard, ed. Mechanical catalysis: Methods of heterogeneous, homogeneous, and enzymatic catalysis. Hoboken, N.J: John Wiley, 2008.

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D, Hegeman Adrian, ed. Enzymatic reaction mechanisms. New York: Oxford University Press, 2006.

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Ari, Koskinen, and Klibanov Alexander M, eds. Enzymatic reactions in organic media. London: Blackie Academic & Professional, 1996.

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1924-, Bender Myron L., D'Souza Valerian T, and Feder Joseph, eds. The Bioorganic chemistry of enzymatic catalysis: An homage to Myron L. Bender. Boca Raton: CRC Press, 1992.

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Journal of molecular catalysis: Enzymatic. Amsterdam: Elsevier, 1995.

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Musaev, Djamaladdin G., and Keiji Morokuma. Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysis. Wiley & Sons, Incorporated, John, 2008.

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Musaev, Djamaladdin G., and Keiji Morokuma. Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysis. Wiley & Sons, Limited, John, 2008.

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(Editor), Keiji Morokuma, and Djamaladdin G. Musaev (Editor), eds. Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts. Wiley-VCH, 2008.

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Swiegers, Gerhard. Mechanical Catalysis: Methods of Enzymatic, Homogeneous, and Heterogeneous Catalysis. Wiley & Sons, Incorporated, John, 2008.

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Book chapters on the topic "Enzymatic catalysi"

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Aaltonen, Olli. "Enzymatic Catalysis." In Chemical Synthesis Using Supercritical Fluids, 414–45. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2007. http://dx.doi.org/10.1002/9783527613687.ch19.

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Divakar, Soundar. "Lipase-Catalysed Preparation of Aminoacyl Esters of Carbohydrates." In Enzymatic Transformation, 81–122. India: Springer India, 2012. http://dx.doi.org/10.1007/978-81-322-0873-0_6.

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le Maire, Marc, Raymond Chabaud, and Guy Hervé. "Enzymatic Catalysis and Regulation." In Laboratory Guide to Biochemistry, Enzymology, and Protein Physical Chemistry, 91–140. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4615-3820-2_5.

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Rethwisch, David G., and Jonathan S. Dordick. "Enzymatic Catalysis in Bioseparations." In Biocatalysts for Industry, 311–23. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4757-4597-9_15.

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Divakar, Soundar. "Kinetics of Some Selected Enzyme-Catalysed Reactions in Organic Solvents." In Enzymatic Transformation, 225–50. India: Springer India, 2012. http://dx.doi.org/10.1007/978-81-322-0873-0_10.

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Yoshimura, Takeo, Shigeru Mineki, and Shokichi Ohuchi. "Microwave-Assisted Enzymatic Reactions." In Microwaves in Catalysis, 213–38. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527688111.ch11.

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Rincón, Rosalba A., Carolin Lau, Plamen Atanassov, and Heather R. Luckarift. "Anodic Catalysts for Oxidation of Carbon-Containing Fuels." In Enzymatic Fuel Cells, 33–52. Hoboken, New Jersey: John Wiley & Sons, Inc., 2014. http://dx.doi.org/10.1002/9781118869796.ch04.

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Mukerjee, Sanjeev, Joseph Ziegelbauer, Thomas M. Arruda, Kateryna Artyushkova, and Plamen Atanassov. "In SituX-Ray Spectroscopy of Enzymatic Catalysis: Laccase-Catalyzed Oxygen Reduction." In Enzymatic Fuel Cells, 304–36. Hoboken, New Jersey: John Wiley & Sons, Inc., 2014. http://dx.doi.org/10.1002/9781118869796.ch15.

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Hilvert, Donald. "Design of Enzymatic Catalysts." In ACS Symposium Series, 14–23. Washington, DC: American Chemical Society, 1989. http://dx.doi.org/10.1021/bk-1989-0389.ch002.

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Kiełbasiński, Piotr, Ryszard Ostaszewski, and Wiktor Szymański. "Enzymatic Catalysis Today and Tomorrow." In Novel Concepts in Catalysis and Chemical Reactors, 95–120. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2010. http://dx.doi.org/10.1002/9783527630882.ch5.

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Conference papers on the topic "Enzymatic catalysi"

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MINAEV, BORIS F., and HANS ǺGREN. "ENZYMATIC SPIN CATALYSIS INVOLVING O2." In Proceedings of the International Conference (ICCMSE 2003). WORLD SCIENTIFIC, 2003. http://dx.doi.org/10.1142/9789812704658_0093.

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BRIAN DYER, R., MICHAEL J. REDDISH, and ROBERT CALLENDER. "PROTEIN DYNAMICS IN ENZYMATIC CATALYSIS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0043.

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SANTOS, Maricel del Valle, Alexis Rafael VELEZ, and Ivana Maria MAGARIO. "EFFECT OF MOLAR WEIGHT OF CARBOXYLIC ACIDS ON THE ENZYMATIC ESTERIFICATION OF GLYCEROL." In SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 2021 INTERNATIONAL VIRTUAL CONFERENCE. DR. D. SCIENTIFIC CONSULTING, 2022. http://dx.doi.org/10.48141/sbjchem.21scon.13_abstract_santos.pdf.

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Glycerol is a by-product in biodiesel synthesis, and its current market condition allows the possibility to transform into value-added compounds. In this work, the enzymatic esterification between glycerol and carboxylic acids of different molar weights was studied to obtain glycerides of industrial relevance. Therefore, eight different carboxylic acids were evaluated: formic, acetic, levulinic, caprylic, capric, lauric, stearic, and oleic. Immobilized lipase from Candida Antarctica was employed as a catalyst. Solvent-free reactions were carried out at 65 °C, 450 rpm, at a molar ratio of glycerol: carboxylic acid of 1:1 and a 1,6% enzyme concentration (based on reagents weight). Conversion of carboxylic acids was followed with time by titration. Under these conditions, acids from octanoic to oleic, which initially formed biphasic systems with glycerol, showed high conversions (68%-80%) and initial reaction rates in the same magnitude order. On the other hand, no enzymatic catalysis was observed with formic, acetic, and levulinic acids. Formic acid exhibited a higher rate and 58% of conversion without catalyst. However, for acetic and levulinic acids, conversion was low in uncatalyzed reactions. Then, for these acids, toluene was added as a reaction solvent. As a result, conversions and initial rates increased for these lighter acids, indicating the need for a non-polar media or a biphasic character to activate the enzyme.
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STUBBE, JOANNE. "BIOLOGICAL CATALYSIS: UNDERSTANDING RATE ACCELERATIONS IN ENZYMATIC REACTIONS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0037.

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Callender, Robert, Hua Deng, Donald Sloan, John Burgner, and Kwok T. Yue. "Raman Difference Spectroscopy And The Energetics Of Enzymatic Catalysis." In OE/LASE '89, edited by Robert R. Birge and Henry H. Mantsch. SPIE, 1989. http://dx.doi.org/10.1117/12.951658.

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Hansen, Rasmus, and Per Nielsen. "New developments in enzymatic biodiesel." In 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/amxh4337.

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Biodiesel production using enzymatic catalyzed transesterification is well established in industrial operation many places around the world. The enzymatic process was launched for processing of waste oils in 2014 as the enzyme catalyst was well suited to handle the variability in oil quality and content of free fatty acids. The process is still being improved to reduce processing costs and can now be considered cost efficient to use also for more expensive oil qualities. In this presentation we will discuss the latest developments to provide new lipases as well as process technology to improve the processing cost. We will present data showing results with improved lipase and how this will impact the process efficiency by faster reaction rates and more complete transesterification of glycerides.
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HAVENITH, MARTINA. "WATER MAPPING IN ENZYMATIC CATALYSIS BY THZ SPECTROSCOPY (THZ CALORIMETRY)." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0040.

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Chen, Yunping, Renjin Gao, and Ting Chen. "Oxidation degradation of enzymatic hydrolysis lignin by tungstophosphoric acid catalysis." In 2011 International Conference on Remote Sensing, Environment and Transportation Engineering (RSETE). IEEE, 2011. http://dx.doi.org/10.1109/rsete.2011.5965967.

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Chiu, Chuang-Pin, Peng-Yu Chen, and Che-Wun Hong. "Atomistic Analysis of Proton Diffusivity at Enzymatic Biofuel Cell Anode." In ASME 2006 4th International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2006. http://dx.doi.org/10.1115/fuelcell2006-97136.

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This paper investigates the proton diffusion phenomenon between the anode catalyst and the electrode in an enzymatic bio-fuel cell. The bio-fuel cell uses enzymatic organism as the catalyst instead of the traditional noble metal, like platinum. The fuel is normally the glucose solution. The fuel cell is membrane-less and produces electricity from the reaction taken place in the organism. When the biochemical reaction occurs, the protons and electrons are released in the solution. The electrons are collected by the electrode plate and are transported to the cathode through an external circuit, while the protons migrate to the cathode by the way of diffusion. Unfortunately, protons are easy to dissipate in the solution because the enzyme is immersed in the neutral electrolyte. It is an important issue of how to collect the protons effectively. In order to investigate the diffusion process of the protons, a molecular dynamics simulation technique was developed. The simulation results track the transfer motion of the protons near the anode. The diffusivity was evaluated from the trajectory. The research concludes that the higher the glucose concentration, the better the proton diffusivity. The enzyme promotes the electrochemical reaction; however, it also plays an obstacle in the proton diffusion path.
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Wu, Chung-Shu, Chia-Tien Wu, Chieh Chen, Chung-Chih Huang, Yu-Lin Yeh, Yuh-Shyong Yang, and Fu-Hsiang Ko. "Catalytic behaviors in modulating enzymatic activity through different-sized gold nanoparticles." In 2010 IEEE 3rd International Nanoelectronics Conference (INEC). IEEE, 2010. http://dx.doi.org/10.1109/inec.2010.5424727.

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Reports on the topic "Enzymatic catalysi"

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Sears, Pamela, and Chi-Huey Wong. Exploiting Molecular Diversity of Enzymes Based on Phage Display: Development of Novel Enzymatic Catalysts. Fort Belvoir, VA: Defense Technical Information Center, April 1999. http://dx.doi.org/10.21236/ada362539.

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Author, Not Given. Closer Look Reveals New Insights on Enzymatic Catalysts for H2 Production (Fact Sheet). Office of Scientific and Technical Information (OSTI), January 2014. http://dx.doi.org/10.2172/1114060.

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Davis, R., L. Tao, C. Scarlata, E. C. D. Tan, J. Ross, J. Lukas, and D. Sexton. Process Design and Economics for the Conversion of Lignocellulosic Biomass to Hydrocarbons: Dilute-Acid and Enzymatic Deconstruction of Biomass to Sugars and Catalytic Conversion of Sugars to Hydrocarbons. Office of Scientific and Technical Information (OSTI), March 2015. http://dx.doi.org/10.2172/1176746.

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