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Relevant bibliographies by topics / Catalyst screening

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Academic literature on the topic 'Catalyst screening'

Author: Grafiati

Published: 4 June 2021

Last updated: 13 February 2022

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Journal articles on the topic "Catalyst screening"

1

Müller, Constanze Annelie, Christian Markert, Antje Maria Teichert, and Andreas Pfaltz. "Mass spectrometric screening of chiral catalysts and catalyst mixtures." Chemical Communications, no. 13 (2009): 1607. http://dx.doi.org/10.1039/b822382c.

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Sriprom, Pongsert, Sutthiwan Prothanatt, Arthit Neramittagapong, and Sutasinee Neramittagapong. "Parameter Screening for the Important Factors Influencing the Aniline Removal by Photocatalysis over Supported Zinc Oxide Catalyst." Advanced Materials Research 931-932 (May 2014): 37–41. http://dx.doi.org/10.4028/www.scientific.net/amr.931-932.37.

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Aniline was removed by photocatalysis reaction using zinc oxide (ZnO, ZnO/Al2O3 and ZnO/SiO2) as catalysts. The oxidation reactions were carried out in a batch reactor. The experiment was designed by Pleckett-Burman Full Factorial Design (FFD) for screening test. The FFD was used to factors screening of 3 factors: wt% of ZnO, catalyst loading and UV light source on aniline removal. The equation model for factors screening was well fitted to the experiment data, which was observed by R2 coefficient of 0.95. The results show that wt% of ZnO and catalysts loading were the significant effects. The highest percentage aniline removal of 82.7% was achieved at the reaction condition; 0.5g of ZnO catalyst and 30wt%ZnO under UV-C irradiation. Moreover, it was found that Pleckett-Burman FFD was useful in factor screening of the aniline removal by photochemical reaction over ZnO-based catalysts.

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Chomboon, Tanakit, Weerit Kumsung, Metta Chareonpanich, Selim Senkan, and Anusorn Seubsai. "Chromium-Ruthenium Oxides Supported on Gamma-Alumina as an Alternative Catalyst for Partial Combustion of Methane." Catalysts 9, no. 4 (2019): 335. http://dx.doi.org/10.3390/catal9040335.

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Catalyst screening of γ-Al2O3-supported, single-metal and bimetallic catalysts revealed several bimetallic catalysts with activities for partial combustion of methane greater than a benchmark Pt/γ-Al2O3 catalyst. A cost analysis of those catalysts identified that the (2 wt%Cr + 3 wt% Ru)/γ-Al2O3 catalyst, denoted as 2Cr3Ru/Al2O3, was about 17.6 times cheaper than the benchmark catalyst and achieved a methane conversion of 10.50% or 1.6 times higher than the benchmark catalyst based on identical catalyst weights. In addition, various catalyst characterization techniques were performed to determine the physicochemical properties of the catalysts, revealing that the particle size of RuO2 became smaller and the binding energy of Ru 3d also shifted toward a lower energy. Moreover, the operating conditions (reactor temperature and O2/CH4 ratio), stability, and reusability of the 2Cr3Ru/Al2O3 catalyst were investigated. The stability test of the catalyst over 24 h was very good, without any signs of coke deposition. The reusability of the catalyst for five cycles (6 h for each cycle) was noticeably excellent.

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Corti, Vasco, Enrico Marcantonio, Martina Mamone, Alessandro Giungi, Mariafrancesca Fochi, and Luca Bernardi. "Synergistic Palladium-Phosphoric Acid Catalysis in (3 + 2) Cycloaddition Reactions between Vinylcyclopropanes and Imines." Catalysts 10, no. 2 (2020): 150. http://dx.doi.org/10.3390/catal10020150.

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The palladium-catalyzed (3 + 2) cycloaddition reaction between vinylcyclopropanes (VCPs) bearing geminal EWG’s and imines represents a straightforward and flexible entry to polysubstituted pyrrolidine derivatives. In this paper, we demonstrate that using a synergistic catalysis approach, based on the combination of phosphoric acid and palladium catalysts, it is possible to engage for the first time N-aryl and N-benzyl imines in this cycloaddition reaction. A range of polysubstituted pyrrolidines is obtained with moderate to good yields and diastereoselectivities, using a simple palladium species (Pd(PPh3)4) and an archetypical phosphoric acid as catalyst combination. A two-step scheme which exploits the same palladium catalyst for two consecutive and mechanistically distinct reactions (the cycloaddition and a Suzuki–Miyaura cross-coupling) is also presented. This synergistic catalysis approach is well posited for the development of the enantioselective version of this reaction. A screening of common BINOL-derived chiral phosphoric acids as catalyst component identified a species giving the product with moderate, yet promising, enantioselectivity (64% ee).

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Grabow, Lars C. "ChemInform Abstract: Computational Catalyst Screening." ChemInform 45, no. 26 (2014): no. http://dx.doi.org/10.1002/chin.201426295.

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Ding, Kuiling. "Combinatorial approach to the discovery of chiral catalysts for asymmetric reactions." Pure and Applied Chemistry 77, no. 7 (2005): 1251–57. http://dx.doi.org/10.1351/pac200577071251.

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The powerfulness of a combinatorial approach in the discovery of novel chiral catalyst systems, particularly for the development of highly efficient, enantioselective, and practical catalysts for asymmetric reactions, was demonstrated by screening modular chiral catalyst libraries created by the strategy of two-component ligand modification of metal ions on the basis of molecular recognition and assembly.

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Cui, Xudong, Wei An, Xiaoyang Liu, Hao Wang, Yong Men, and Jinguo Wang. "C2N-graphene supported single-atom catalysts for CO2 electrochemical reduction reaction: mechanistic insight and catalyst screening." Nanoscale 10, no. 32 (2018): 15262–72. http://dx.doi.org/10.1039/c8nr04961k.

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Mechanistic insight and catalyst screening of C<sub>2</sub>N-graphene supported single-atom catalysts for CO<sub>2</sub> electrochemical reduction reaction are provided from a theoretical perspective.

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Hossain, M. Anwar, Bamidele Victor Ayodele, Chin Kui Cheng, and Maksudur R. Khan. "Syngas Production from Catalytic CO2 Reforming of CH4 over CaFe2O4 Supported Ni and Co Catalysts: Full Factorial Design Screening." Bulletin of Chemical Reaction Engineering & Catalysis 13, no. 1 (2018): 57. http://dx.doi.org/10.9767/bcrec.13.1.1197.57-73.

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In this study, the potential of dry reforming reaction over CaFe2O4 supported Ni and Co catalysts were investigated. The Co/CaFe2O4 and Ni/CaFe2O4 catalysts were synthesized using wet impregnation method by varying the metal loading from 5-15 %. The synthesized catalysts were tested in methane dry reforming reaction at atmospheric pressure and reaction temperature ranged 700-800 oC. The catalytic performance of the catalysts based on the initial screening is ranked as 5%Co/CaFe2O4 < 10%Co/CaFe2O4 < 5%Ni/CaFe2O4 < 10%Ni/CaFe2O4 according to their performance. The Ni/CaFe2O4 catalyst was selected for further investigation using full factorial design of experiment. The interaction effects of three factors namely metal loading (5-15 %), feed ratio (0.4-1.0), and reaction temperature (700-800 oC) were evaluated on the catalytic activity in terms of CH4 and CO2 conversion as well as H2 and CO yield. The interaction between the factors showed significant effects on the catalyst performance at metal loading, feed ratio and reaction temperature of 15 %, 1.0, and 800 oC. respectively. The 15 wt% Ni/CaFe2O4 was subsequently characterized by Thermogravimetric (TGA), X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Energy Dispersive X-ray Spectroscopy (EDX), X-ray Photoelectron Spectroscopy (XPS), N2-physisorption, Temperature Programmed Desorption (TPD)-NH3, TPD-CO2, and Fourier Transform Infra Red (FTIR) to ascertain its physiochemical properties. This study demonstrated that the CaFe2O4 supported Ni catalyst has a good potential to be used for syngas production via methane dry reforming. Copyright © 2018 BCREC Group. All rights reservedReceived: 5th May 2017; Revised: 8th August 2017; Accepted: 9th August 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018How to Cite: Hossain, M.A., Ayodele, B.V., Cheng, C.K., Khan, M.R. (2018). Syngas Production from Catalytic CO2 Reforming of CH4 over CaFe2O4 Supported Ni and Co Catalysts: Full Factorial Design Screening. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1): 57-74 (doi:10.9767/bcrec.13.1.1197.57-74)

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Williams, Thomas J., Jessica V. Lamb, Jean-Charles Buffet, Tossapol Khamnaen, and Dermot O'Hare. "Synthesis of ultra-high molecular weight poly(ethylene)-co-(1-hexene) copolymers through high-throughput catalyst screening." RSC Advances 11, no. 10 (2021): 5644–50. http://dx.doi.org/10.1039/d1ra00446h.

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Permethylindenyl titanium CGCs supported on solid polymethylaluminoxane (sMAO) are investigated as slurry-phase catalysts by high-throughput catalyst screening (copolymerisation of ethylene/1-hexene with incorporation levels up to 14.2 mol%).

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Wang, Liping, Jianchao Lee, Meijuan Zhang, Qiannan Duan, Jiarui Zhang, and Hailang Qi. "Fluorescence imaging technology (FI) for high-throughput screening of selenide-modified nano-TiO2 catalysts." Chemical Communications 52, no. 14 (2016): 2944–47. http://dx.doi.org/10.1039/c5cc10436j.

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A high-throughput screening (HTS) method based on fluorescence imaging (FI) was built and applied to evaluate the catalytic performance of selenides-modified TiO<sub>2</sub>. A catalyst library comprising 1405 catalysts was established using color ink-jet printing technology.

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Dissertations / Theses on the topic "Catalyst screening"

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Cullen, Christopher J. "Application of continuous-flow nanoreactors to catalyst screening." Thesis, Imperial College London, 2008. http://hdl.handle.net/10044/1/11987.

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Wolf, Eléna. "Screening and deconvoluting complex mixtures of catalyst components in reaction development." Thesis, Strasbourg, 2015. http://www.theses.fr/2015STRAF039/document.

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Le développement réactionnel est problème multidimensionnel complexe qui, dans un scénario représentatif, implique l’unique convergence de plusieurs paramètres à une réactivité désirée. Le choix incorrect d’un seul paramètre réactionnel tel que le pré-catalyseur, le ligand mais aussi le solvant ou encore l’acide/base peut complètement supprimer la réactivité du système. De ce fait, ce processus requiert souvent de nombreuses expérimentations pour obtenir un premier résultat probant. Pour éviter de tester toutes les combinaisons en parallèle, des approches créatives de criblage ont été développées ces dernières années mais le nombre important de reactions nécessaires à l’exploration de juste trois ou quatre paramètres est toujours un challenge pour les chimistes qui n’ont pas accès au criblage à haut debit. Afin de répondre à cette problèmatique, une stratégie combinatoire réaction-économique pour l’identification d’un lead hit dans une reaction spécifique est proposée. Des mélanges complexes de pré-catalyseurs et de ligands, choisis au préalable, sont testés avec un ou deux autres paramètres de reaction supplémentaires pour identifier de bonnes conditions de réaction dans un nombre minimum de manipulations. La déconvolution iterative permet ensuite d’identifier le catalyseur, généré in situ, le plus actif dans les conditions réactionnelles. L’application de cette approche est décrite sur une réaction de Friedel-Crafts, une arylation ortho-C–H sélective de composés benzamides, une alkylation C3 d’indole et en catalyse asymétrique sur une réaction d’hétéro Diels-Alder<br>Reaction development is a complex multidimensional problem that, in a representative scenario, requires often the unique convergence of multiple parameters for a desired reactivity. The incorrect choice of a single parameter, such as the pre-catalyst, the ligand, the solvent or the acid/base, can completely eliminate the reactivity of the system. Thus, the process often requires extensive manipulations to obtain a lead hit. To avoid this time consuming process, many creative screening approaches have been developed but the large number of reactions necessary to explore the intersection of just three or four parameters is still a challenge for chemists who do not have access to high throughput experimentation. A reaction-economic combinatorial strategy is described for lead hit identification in catalyst discovery directed towards a specific transformation. Complex mixtures of rationally chosen pre-catalysts and ligands are screened against various reaction parameters to identify lead conditions in a small number of reactions. Iterative deconvolution of the resulting hits identifies which components contribute to the lead in situ generated catalyst. The application of this screening approach is described in the dehydrative Friedel-Crafts reaction, in the ortho-C–H arylation of benzamides, in the C3-indole alkylation and in the asymmetric hetero Diels-Alder cycloaddition

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Davis, Cary M. "EXPLORING THE ASYMMETRIC ENVIRONMENT OF VARIOUS CHIRAL CATALYSTS USING A MODIFIED ION-TRAP MASS SPECTROMETER: TOWARDS THE DEVELOPMENT OF A RAPID CHIRAL CATALYST SCREENING METHOD." VCU Scholars Compass, 2014. http://scholarscompass.vcu.edu/etd/3646.

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Since the tragedy of the drug Thalidomide® in the late 1950 to early 1960’s, chirality has been recognized as an important aspect that must be controlled in the drug development process in the pharmaceutical industry. Since then, there has been a considerable movement towards single enantiomer drugs. This demand has presented many challenges for the synthetic organic chemist. Chiral catalysts offer one solution to this problem, as they afford the unique ability to preferentially synthesize one enantiomer. Unfortunately, the design of new chiral catalysts is often empirical, with luck and trial and error necessary due to factors that govern enantioselectivity. Therefore, it would be highly beneficial to develop a method that is capable of screening multiple chiral catalysts early in the catalyst development cycle. Using a modified ion-trap mass spectrometer, the chiral environment of various chiral catalysts may be examined, free from solvent and ion-pairing affects. Thus, the catalyst’s inherent asymmetric environment (enantioselectivity) may be probed using simple chiral molecules, including alcohols, ethers, and epoxides of various steric demands. Using these probes, various C2-symmetric bis-oxazolines and di-imines catalysts were examined. Use of the binaphthyl-based diamine, BINAM, condensed with various 3,5-disubstituted benzaldehydes, provided selectivity close to the privileged catalyst, bis-oxazoline. In general, the chiral probes 1-phenyl-2-propanol, 1-mehtoxyethylbenzene, and styrene oxide offer the best look at the catalyst’s enantioselectivity potential. With the use of the ion-trap mass spectrometer as a mass filter, the purity of the catalyst is not paramount, thus, multiple catalysts may be screened simultaneously, with the constraint that the catalysts must be of different m/z. This thesis presents results found during the exploration of various C2 and C1-symmetric chiral catalysts, in the development of the new chiral screening method utilizing various chiral probes.

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Chin, Ami Jun-Yee. "Part A Development of a Fluorescence Resonance Energy Transfer assay or high throughput screening for catalysts in the desymmetrization of meso substrates Part B Application of hydrazide based catalyst in Friedel-Crafts alkylation." Thesis, University of Ottawa (Canada), 2006. http://hdl.handle.net/10393/27118.

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Highthroughput methods have been increasingly applied to catalyst screening, however, efforts to use these for enantioselective measures are still lacking. We propose to apply Fluorescence Resonance Energy Transfer (FRET) as a highthroughput screening method to fulfill such a purpose. This concept is applied to the desymmetrization of meso substrates. The meso compound will be equipped with a recognition element for catalyst binding, two different fluorescence donor molecules to distinguish between the chiral centres and also a fluorescence acceptor molecule to suppress fluorescence. Upon catalytic hydrolysis, the fluorescence acceptor molecules will be discharged into solution and thus can be detected by use of a spectrophotometer. As each donor molecule has a characteristic fluorescence emission wavelength, measuring the respective fluorescence intensities will ultimately allow for one to rapidly determine the enantiomeric excess. Efforts towards establishing this FRET based assay are discussed herein.* *Please refer to dissertation for diagrams.

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Timmer, Brian J. J. "Metals in Dynamic Chemistry: Selection & Catalysis." Doctoral thesis, KTH, Organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-211492.

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In the adaptation to the oxidative environment on earth, metals played a crucial role for the evolution of life. The presence of metals also allowed access to advanced functions due to their unique coordination sphere and reactivity. This thesis focused on exploiting these unique properties for further development of the field of dynamic chemistry – a field in which adaptation plays a central role as well. The first part of the thesis aimed to create a better understanding of multivalent effects in carbohydrate-lectin interactions. By reversible ligand coordination to zinc ions one of the nanoplatforms, the Borromean rings, could be selectively obtained. After carbohydrate functionalization the binding events were monitored by quartz crystal microbalance technology and compared to glycosylated fullerenes and dodecaamide cages. Overall, this investigation indicated that statistical and polyelectrolyte effects play a considerable role in the observed multivalent effects. The second part of the thesis aimed to design and synthesize a new catalyst for application in aqueous olefin metathesis. This afforded a ruthenium based catalyst that was applied in the self- and cross-metathesis of highly functionalized substrates, such as carbohydrates. In addition, it was shown that addition of a small amount of acetic acid prevented undesired double bond isomerization. The last part of the thesis aimed to explore new methods to discover transition metal catalysts. Dynamic exchange of directing groups generated a pool of potential substrates for C-H activation. Combining this pool of substrates with a pool of potential catalysts resulted in amplification of a reactive substrate/metal combination. By iterative deconvolution in combination with mass spectrometry, this “intermediate” could be identified from the mixture, proving applicability of this alternative approach to catalyst discovery.<br><p>QC 20170809</p>

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Müller, Constanze Annelie. "Mass spectrometric screening of chiral catalysts by monitoring the back reaction: Palladium-catalysed allylic substitution." Göttingen Cuvillier, 2008. http://d-nb.info/989139719/04.

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Müller, Constanze A. "Mass spectrometric screening of chiral catalysts by monitoring the back reaction : palladium-catalysed allylic substitution /." [S.l.] : [s.n.], 2008. http://edoc.unibas.ch/diss/DissB_8322.

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Hodnett, Neil Stephen. "A novel method for screening asymmetric catalysts." Thesis, University of Bristol, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.274602.

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Tichauer, Ruth Elena. "In silico screening of NRas protein oncogenic mutations : new structural and physico-chemical insights into the catalytic activity." Electronic Thesis or Diss., Toulouse 3, 2019. http://www.theses.fr/2019TOU30028.

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Les protéines Ras jouent un rôle majeur dans le développement cellulaire. Faisant partie de la catégorie de petites GTPases, elles sont dotées d'un mécanisme fonctionnant tel un interrupteur moléculaire qui, dans leur cas, contrôle la transmission de signaux de croissance cellulaire. Liées au GTP, ces protéines adoptent une conformation leur permettant d'interagir avec des effecteurs en aval et, ainsi, activer la réplication et différenciation cellulaires. La réaction d'hydrolyse du GTP qui se déroule en leur centre, est accompagnée d'un changement conformationnel qui met fin à ces interactions, conduisant ainsi à l'état inactif de Ras, lié au GDP. Des mutations spécifiques de résidus bien déterminés entraînent une baisse du taux d'hydrolyse, laissant ainsi Ras liée au GTP. Or, de fortes concentrations de cette forme active de Ras ont été associées à une prolifération cellulaire anormale, caractéristique de la dissémination de tissus cancéreux. Il apparaît alors que l'élucidation des mécanismes employés par Ras pour accélérer le clivage du GTP constitue une étape majeure dans le développement de thérapies ciblées contre le cancer. Elles consisteraient à rétablir, au sein des mutants oncogéniques, un taux d'hydrolyse proche à celui mesuré au sein du type sauvage. Dans le but de mieux comprendre au niveau atomique les propriétés catalytiques de Ras, nous avons mené des simulations de dynamique moléculaire (MD) en décrivant le domaine G à différents niveaux de théorie (Mécanique Moléculaire (MM), Semi-empirique et Théorie de la Fonctionnelle de la Densité (DFT)). Ces calculs ont été réalisés pour les formes sauvage et mutées au niveau du résidu 61 de NRas. Ils ont été couplées à des caractérisations biomécaniques des complexes protéine-ligand étudiés, en utilisant la méthode des modes statiques. Cette méthode permet d'identifier des points chauds, réactifs, de la biomolécule et qui, suivant le critère de contrainte choisi, ont une influence mécanique sur la fonction GTPase de la protéine. Par conséquent, ils pourraient servir en temps que sites appropriés pour héberger des molécules médicamenteuses contenant des groupes chimiques spécifiques qui faciliteraient l'hydrolyse du GTP. Tout d'abord, les résultats obtenus montrent que le positionnement des molécules d'eau dans le cite actif est crucial pour catalyser efficacement la réaction. En effet, la répartition précise du solvant, observée dans le type sauvage, est perdue au sein des mutants de NRas considérés ici. Cette distribution différente des molécules d'eau ainsi que les modifications structurales du site actif engendrées par les substitutions du résidu Gln 61, ont un impact direct sur la densité électronique du GTP. Cette dernière présente un profil de type GDP au sein de la protéine de type sauvage uniquement, comme déterminé expérimentalement dans des études précédentes. Il apparaît donc que les mutations oncogéniques de Gln 61 perturbent cet effet catalytique majeur de NRas. Parmi trois propositions faites au cours de cette thèse sur des modifications à apporter à la forme mutée Q61R de NRas, une est présentée pendant la soutenance tandis que toutes les trois sont décrites dans le manuscript. Les groupes chimiques insérés au niveau du site identifié permettent de rétablir une distribution de l'eau comme celle observée dans le type sauvage. Pour terminer, lors de la soutenance uniquement, un chemin réactionnel alternatif de l'hydrolyse enzymatique du GTP est proposé<br>Ras subfamily of small GTPase proteins holds a key position in cell proliferation pathways. Indeed, the transmission of cell growth signals is controlled by proteins belonging to it. In their GTP-bound conformation, these proteins interact and activate downstream effectors of cell replication and differentiation. The hydrolysis reaction that takes place in their center, terminates these interactions, thereby leading to the GDP-bound inactive state. Point mutations of key residues lead to a hydrolysis rate drop that keeps Ras in a GTP-bound active state. Now, high concentrations of active Ras have been associated to abnormal cell proliferation, emblematic of cancerous tissues dissemination. With this into consideration, the elucidation of Ras mechanisms for accelerating GTP cleavage appears as a major step in the development of cancer targeted therapies that would consist in restoring the hydrolysing capabilities within oncogenic Ras to a wild-type rate. In an attempt to gain insight into Ras catalysing properties at the atomic level, unconstrained Molecular Dynamics (MD) simulations describing the G domain at different levels of theory (Molecular Mechanics (MM), Semi-empirical and Density Functional Theory (DFT)) were carried out for NRas member in its wild-type and Gln 61 mutated forms. These simulations were coupled to biomechanic characterisations of the complexes under inspection employing the static modes approach. The latter method, allows the identification of hot spots {\it i.e.} responsive residues of the biomolecule, that have a mechanical influence on the GTPase function of the protein. Hence, they could serve as suitable sites to host drug-like molecules containing specific chemical groups that would facilitate GTP hydrolysis. The obtained results show that water molecules positioning is crucial for efficiently catalysing the reaction that takes place in NRas center. Indeed, the precise positioning observed within the wild-type is lost within the mutants studied here. Furthermore, the active site structural modifications undergone upon Gln 61 substitutions, together with solvent distribution in it, impact directly GTP electronic density. The latter is accommodated to a GDP-like state within the wild-type protein only, as experimentally determined in previous investigations. Thus, oncogenic Gln 61 mutations impair this major catalysing effect. Among three engineered NRas proteins of the Q61R mutated form, proposed during this thesis, one is presented during the defence while the three are described in the manuscript. The chemical groups inserted at the identified site enable the recovery of water distribution as within the wild-type. To end, during the defence only, an alternative reaction pathway of the enzymatic reaction is proposed

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Caraballo, Rémi. "Dynamic Sulfur Chemistry : Screening, Evaluation and Catalysis." Doctoral thesis, KTH, Organisk kemi, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-12414.

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This thesis deals with the design, formation and evaluation of dynamic systems constructed by means of sulfur-containing reversible reactions, in organic and aqueous media and under mild conditions. In a first part, the synthesis of thioglycoside derivatives, constituting the biologically relevant starting components of the dynamic systems, is described. In addition, the pD-profile of the mutarotation process in aqueous media for a series of 1-thioaldoses is reported and revealed an astonishing beta-anomeric preference for all the carbohydrate analogs under acidic or neutral conditions. In a second part, the phosphine-catalyzed or -mediated disulfide metathesis for dynamic system generation in organic or aqueous media is presented, respectively. The direct in situ 1H STD-NMR resolution of a dynamic carbohydrate system in the presence of a target protein (Concanavalin A) proved the suitability and compatibility of such disulfide metathesis protocols for the discovery of biologically relevant ligands. In a third part, hemithioacetal formation is demonstrated as a new and efficient reversible reaction for the spontaneous generation of a dynamic system, despite a virtual character of the component associations in basic aqueous media. The direct in situ 1H STD-NMR identification of the best dynamic beta-galactosidase inhibitors from the dynamic HTA system was performed and the results were confirmed by inhibition studies. Thus, the HTA product formed from the reaction between 1-thiogalactopyranose and a pyridine carboxaldehyde derivative provided the best dynamic inhibitor. In a fourth and final part, a dynamic drug design strategy, where the best inhibitors from the aforementioned dynamic HTA system were used as model for the design of non-dynamic (or “static”) beta-galactosidase inhibitors, is depicted. Inhibition studies disclosed potent leads among the set of ligands.<br>QC 20100621

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Books on the topic "Catalyst screening"

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Hagmeyer, Alfred, Peter Strasser, and Anthony F. Volpe, eds. High‐Throughput Screening in Heterogeneous Catalysis. Wiley, 2004. http://dx.doi.org/10.1002/3527604103.

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Strasser, Peter, Alfred Hagemeyer, and Anthony F. Jr Volpe. High-Throughput Screening in Chemical Catalysis: Technologies, Strategies and Applications. Wiley-VCH Verlag GmbH, 2005.

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Strasser, Peter, Alfred Hagemeyer, and Anthony F. Jr Volpe. High-Throughput Screening in Chemical Catalysis: Technologies, Strategies and Applications. Wiley & Sons, Incorporated, John, 2006.

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High-throughput screening in heterogeneous [i.e. chemical] catalysis. Wiley-VCH, 2004.

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(Editor), Alfred Hagemeyer, Peter Strasser (Editor), and Anthony F. Volpe, Jr. (Editor), eds. High-Throughput Screening in Chemical Catalysis: Technologies, Strategies and Applications. Wiley-VCH, 2004.

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Book chapters on the topic "Catalyst screening"

1

van Veen, André C., Yirk Schuurman, and Claude Mirodatos. "Catalyst Development, Screening and Optimization." In Micro Process Engineering. Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527631445.ch48.

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Karlsson, A., D. E. Akporiaye, M. Plassen, Ralph Gillespie, and J. S. Holmgren. "Parallel Heterogeneous Reactor Systems for Catalyst Screening." In ACS Symposium Series. American Chemical Society, 2005. http://dx.doi.org/10.1021/bk-2005-0914.ch004.

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Yamada, Y., M. Ando, A. Ueda, et al. "Potential of Gas Sensor System for High Throughput Screening of Combinatorial Catalysts." In Combinatorial Catalysis and High Throughput Catalyst Design and Testing. Springer Netherlands, 2000. http://dx.doi.org/10.1007/978-94-011-4329-5_17.

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Ottone, Carminna, Simelys Hernández, Marco Armandi, and Barbara Bonelli. "Electrochemical Measurements as Screening Method for Water Oxidation Catalyst." In Testing Novel Water Oxidation Catalysts for Solar Fuels Production. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-12712-1_5.

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Schunk, Stephan A., Dirk Demuth, Alexander Cross, et al. "Mastering the Challenges of Catalyst Screening in High-Throughput Experimentation for Heterogeneously Catalyzed Gas-Phase Reactions." In High-Throughput Screening in Heterogeneous Catalysis. Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604103.ch2.

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Bellefon, C. "Mass Transfer Limitations: A Bottleneck for High Throughput Screening in Multiphase Catalysis." In Principles and Methods for Accelerated Catalyst Design and Testing. Springer Netherlands, 2002. http://dx.doi.org/10.1007/978-94-010-0554-8_3.

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Zatsepin, Pavel, Dieter Sorsche, Seihwan Ahn, Mu-Hyun Baik, and Daniel J. Mindiola. "Catalytic Borylation of Methane: Combining Computational and High-Throughput Screening Approaches to Discover a New Catalyst." In Alkane Functionalization. John Wiley & Sons, Ltd, 2018. http://dx.doi.org/10.1002/9781119379256.ch17.

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Trapp, Oliver. "High-Throughput Screening of Catalysts and Reactions." In Molecular Catalysts. Wiley-VCH Verlag GmbH & Co. KGaA, 2014. http://dx.doi.org/10.1002/9783527673278.ch21.

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Murphy, Vince. "High-Throughput Approaches in Olefin Polymerization Catalysis." In High-Throughput Screening in Heterogeneous Catalysis. Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604103.ch12.

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Weinberg, W. Henry, and Howard W. Turner. "Impact of High-Throughput Screening Technologies on Chemical Catalysis." In High-Throughput Screening in Heterogeneous Catalysis. Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604103.ch1.

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Conference papers on the topic "Catalyst screening"

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Chae, Song, Sang Kim, and Sunwon Park. "High-throughput screening of DeNOx catalyst using artificial neural networks." In 2006 SICE-ICASE International Joint Conference. IEEE, 2006. http://dx.doi.org/10.1109/sice.2006.314627.

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Chen, Ming, and Karen Schirmer. "A Modelling Approach to the Design Optimization of Catalytic Converters of I.C. Engines." In ASME 2003 Internal Combustion Engine and Rail Transportation Divisions Fall Technical Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/icef2003-0729.

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In this paper, a modelling approach to the design optimization of catalytic converters is presented. The first step of the optimization is the model-assisted sizing of catalysts. For a given inlet exhaust condition, a semi-empirical, experimentally calibrated, 0-D steady state catalyst model is employed to sort through a data base of catalysts under given restraints, yielding few successful candidates. Following this screening process, a 1-D transient plug-flow catalyst model is used to analyze the species concentrations and the temperature variation across the catalyst. The second step deals with the flow optimization of the catalyst converter under the given geometric restraints. A commercially available CFD package is employed to simulate isothermal flow and to evaluate flow uniformity characteristics in the catalytic converter. The substrate is modelled as porous media, where viscous and initial resistances are specified via empirical formula. With the help of the CFD tool, the flow in the converter can be optimized using appropriate boundary layer control methods. In a specific example, the effects of perforated plate on the flow separation in a wide-angle diffuser are demonstrated. This paper also addresses the issue of flow resistance of perforated plates.

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Xu, Xinhai, Shuyang Zhang, and Peiwen Li. "Hydrogen Production of a Heavy Hydrocarbon Fuel Autothermal Reformer on NiO-Rh Based Monolithic Catalysts." In ASME 2014 12th International Conference on Fuel Cell Science, Engineering and Technology collocated with the ASME 2014 8th International Conference on Energy Sustainability. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/fuelcell2014-6624.

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Catalytic autothermal reforming (ATR) is one promising technology to effectively produce hydrogen and syngas from heavy hydrocarbon fuels for fuel cell applications. The present study describes the development of a cylindrical 1.5 kWe scale autothermal reformer for on-board SOFCs. NiO-Rh bimetallic catalysts supported on 400 cpsi cordierite monoliths were experimentally examined in the reformer. Promoters including cerium, potassium and lanthanum were introduced in the catalysts preparation to improve their performance. Dodecane (C12H26) was used as a surrogate for desulfurized commercial Jet-A fuel (C11.6H22.3) to study the hydrogen selectivity and efficiency of ATR reactions with different catalysts. Gas chromatography (GC) equipped with TCD detector was used to monitor the concentration of H2, CO, CO2 and N2 in the reformate. The catalysts screening tests were performed at the same operation conditions including inlet temperatures, reactor temperature, steam to carbon ratio and oxygen to carbon ratio. The best catalyst was reported to have efficiency about 85 percent. The optimized reactor operation temperature was reported as 700 °C.

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Ahari, Homayoun, Michael Smith, Michael Zammit, and Brad Walker. "Adapting Design for Six Sigma (DFSS) Methodology for Diesel Lean NOx Trap (LNT) Catalyst Screening." In SAE 2016 World Congress and Exhibition. SAE International, 2016. http://dx.doi.org/10.4271/2016-01-0953.

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Allwardt, A., C. Wendler, S. Holzmuller-Laue, N. Stoll, and Kerstin Thurow. "Enhancing the Throughput of Catalyst Screening Labs by Integration of a High Pressure Microplate Reactor." In 2007 IEEE International Conference on Automation Science and Engineering. IEEE, 2007. http://dx.doi.org/10.1109/coase.2007.4341803.

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Gvoić, Vesna, Miljana Prica, Đurđa Kerkez, et al. "Fenton-like oxidation of flexographic water-based key (black) dye: a definitive screening design optimization." In 10th International Symposium on Graphic Engineering and Design. University of Novi Sad, Faculty of technical sciences, Department of graphic engineering and design,, 2020. http://dx.doi.org/10.24867/grid-2020-p25.

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Fenton oxidation process has obtained large applicative use for efficient water remediation, whereby overall reaction efficiency could be improved by developing advanced Fenton catalysts. In order to synthesize iron nanoparticles with higher catalytic activity, a simple and eco-friendly method using FeCl3 and aqueous plant extract (oak leaves) was applied in this paper. The nano zero valent iron particles were used as a catalyst in Fenton treatment to remove organic dye from aqueous solution. The objective of this study was to optimize Fenton-like process for the removal of black printing dye using a recently developed design of experiment method - definitive screening design. This novel design framework significantly reduces the number of experiments required to estimate the model parameters and to establish the optimum operation conditions. The experiments were carried out in a batch mode technique, investigating the influence of dye concentration (20 - 180 mgL-1), nanoparticles dosage (0.75 - 60 mgL-1), H2O2 concentration (1 - 11 mM) and pH value of the solution (2 - 10) on the decolorization efficiency. The Fenton-like process resulted with 79% of dye removal from aqueous solution under the optimal process conditions: dye concentration of 180 mgL-1, nanoparticles dosage of 0.75 mgL-1, H2O2 concentration of 1 mM and pH of 2. Increasing the pH value to slightly acidic or near neutral (5-7) medium resulted with slight decrease in the process efficiency (69.14 - 62.63%), but a limitation in the form of sludge generation is noticeable.

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Sinott, Airton, Lucielli Savegnago, Ana Paula Pesarico, Lucas Iarocz, and Márcio Silva. "Screening and Evaluation of Antioxidant Activity of Phosphoroselenoates and Derivates." In 1st International Electronic Conference on Catalysis Sciences. MDPI, 2020. http://dx.doi.org/10.3390/eccs2020-07542.

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Tsapatsaris, Nikolaos, Angela M. Beesley, Norbert Weiher, et al. "High Throughput In Situ XAFS Screening of Catalysts." In X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP, 2007. http://dx.doi.org/10.1063/1.2644604.

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Holmgreen, Erik M., Matthew M. Yung, and Umit S. Ozkan. "Two-Stage Catalytic NOx Reduction With Hydrocarbons for Lean Burn Gas Fired Reciprocating Engines." In ASME 2004 Internal Combustion Engine Division Fall Technical Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/icef2004-0893.

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A two-stage NOx reduction system has been proposed to address the challenges associated with exhaust treatment from high efficiency lean burn natural gas engines. This concept is based on oxidation of NO to NO2 followed by the subsequent reduction of NO2 to N2 with a hydrocarbon reducing agent. Titania supported cobalt catalysts prepared by both incipient wetness and modified sol-gel techniques are effective for the oxidation of NO to NO2, being capable of reaching equilibrium conversions at or below 300°C. Screening of several formulations of NO2 reduction catalysts are presented, with silver supported on alumina being the most promising. Kinetic experiments are monitored by gas chromatography and chemiluminescent NOx analysis. Characterization of the catalysts is performed by BET surface area measurements, thermogravimetric analysis, and in-situ X-ray diffraction.

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Tromp, Moniek, Sergio Russu, Andy J. Dent, et al. "High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques." In X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP, 2007. http://dx.doi.org/10.1063/1.2644684.

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Reports on the topic "Catalyst screening"

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Gerber, Mark A., James F. White, and Don J. Stevens. Mixed Alcohol Synthesis Catalyst Screening. Office of Scientific and Technical Information (OSTI), 2007. http://dx.doi.org/10.2172/926119.

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Gerber, Mark A., J. F. White, Michel J. Gray, and Don J. Stevens. Mixed Alcohol Synthesis Catalyst Screening 2007 Progress Report. Office of Scientific and Technical Information (OSTI), 2007. http://dx.doi.org/10.2172/926120.

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Mulvaney, Paul. High Throughput Spectroscopic Catalyst Screening via Surface Plasmon Spectroscopy. Defense Technical Information Center, 2015. http://dx.doi.org/10.21236/ada626615.

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Scheele, R. D., S. A. Bryan, J. W. Johnston, J. M. Tingey, L. L. Burger, and R. T. Hallen. Hanford ferrocyanide waste chemistry and reactivity preliminary catalyst and initiator screening studies. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/10146358.

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Scheele, R. D., S. A. Bryan, J. W. Johnston, J. M. Tingey, L. L. Burger, and R. T. Hallen. Hanford ferrocyanide waste chemistry and reactivity preliminary catalyst and initiator screening studies. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/5353966.

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Ternan, M. Methane-deuterium exchange: a reaction for screening methylcracking catalysts. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 1993. http://dx.doi.org/10.4095/304573.

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Su, Hui. Laser-Induced Fluorescence Detection in High-Throughput Screening of Heterogeneous Catalysts and Single Cells Analysis. Office of Scientific and Technical Information (OSTI), 2001. http://dx.doi.org/10.2172/804157.

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Su, Hui. Laser-Induced Fluorescence Detection in High-Throughput Screening of Heterogeneous Catalysts and Single Cells Analysis. Office of Scientific and Technical Information (OSTI), 2001. http://dx.doi.org/10.2172/797334.

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Melman, Jonathan. Final Technical Report for GO15052 Intematix: Combinatorial Synthesis and High Throughput Screening of Effective Catalysts for Chemical Hydrides. Office of Scientific and Technical Information (OSTI), 2017. http://dx.doi.org/10.2172/1344370.

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Zhang, Yonghua. High Throughput Sample Preparation and Analysis for DNA Sequencing, PCR and Combinatorial Screening of Catalysis Based on Capillary Array Technique. Office of Scientific and Technical Information (OSTI), 2000. http://dx.doi.org/10.2172/804158.

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