Search results for "Catalytic"

showing 10 items of 394 documents

Off-Target-Based Design of Selective HIV-1 PROTEASE Inhibitors

2021

The approval of the first HIV-1 protease inhibitors (HIV-1 PRIs) marked a fundamental step in the control of AIDS, and this class of agents still represents the mainstay therapy for this illness. Despite the undisputed benefits, the necessary lifelong treatment led to numerous severe side-effects (metabolic syndrome, hepatotoxicity, diabetes, etc.). The HIV-1 PRIs are capable of interacting with “secondary” targets (off-targets) characterized by different biological activities from that of HIV-1 protease. In this scenario, the in-silico techniques undoubtedly contributed to the design of new small molecules with well-fitting selectivity against the main target, analyzing possible undesirabl…

0301 basic medicineon/off-targetsProtein ConformationComputer sciencemedicine.medical_treatmentHIV InfectionsLigands01 natural sciencesHIV ProteaseHIV-1 proteaseCatalytic DomainDrug DiscoveryBiology (General)DRUDITSpectroscopyMolecular StructurebiologyGeneral MedicineResearch processSmall moleculeComputer Science ApplicationsMolecular Docking SimulationChemistryligand-structure basedQH301-705.5NCI databaseComputational biologyArticleCatalysisInorganic ChemistryStructure-Activity Relationshipmolecular descriptors03 medical and health sciencesHIV-1 proteasemedicineHumansComputer SimulationPhysical and Theoretical ChemistryQD1-999Molecular BiologyVirtual screeningProteaseOrganic ChemistryHIV Protease Inhibitorsmolecular dockingvirtual screening0104 chemical sciences010404 medicinal & biomolecular chemistry030104 developmental biologyDrug DesignHIV-1biology.proteinInternational Journal of Molecular Sciences
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A kinetic-catalytic method for iodide based on the simultaneous addition of inhibitor and substrate

1987

Abstract A kinetic-catalytic method of analysis, based on the addition of a mixture of inhibitor and substrate, at a constant rate, over the catalyst in the presence of the other component of the indicator reaction is studied. The method is applied to the determination of iodide using the Ce(IV)As(III) catalytic reaction and Hg(II) as inhibitor. Under suitable experimental conditions the absorbance of the unconsumed Ce(IV) is inversely proportional to the initial iodide concentration.

Absorbancechemistry.chemical_classificationChemistryInorganic chemistryIodideSubstrate (chemistry)Reaction inhibitorKinetic energyChemical reactionSpectroscopyCatalytic methodAnalytical ChemistryCatalysisMicrochemical Journal
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Can Macroscopic Parameters, Such as Conversion and Selectivity, Distinguish between Different Cracking Mechanisms on Acid Catalysts?

1997

n-heptane cracking has been carried out for very short time periods on an established reaction mechanism which includes the following group of stream reactions on different zeolites: Initiation reactions (protolytic cracking), charge isomerization, chain isomerization, hydride transfer, β-scission–alkylation, desorption–adsorption, and hydrogen transfer–cyclization. It has been observed that a given experimental distribution of products can be explained by more than just one reaction scheme. This does not allow one to clearly distinguish the fraction of reactant which disappears via monomolecular initiation reactions with respect to bimolecular hydride transfer reactions.

Acid catalysisReaction mechanismCrackingHydrogenChemistryHydridechemistry.chemical_elementPhysical and Theoretical ChemistryPhotochemistryFluid catalytic crackingIsomerizationCatalysisCatalysisJournal of Catalysis
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Evaluation of Nanostructured Coatings for the Protection of Apuan Marble Stone

2019

Nowadays the use of multifunctional nanomaterials has significantly increased with interesting applications for the cultural heritage conservation sector, leading to the definition and use of products with innovative properties. Therefore, a preliminary validation of the performances and behavior over time of these treatments becomes an unavoidable key point for a correct use of these products before being applied to historical materials, in order to avoid irreparable damage over time. In this direction, the aim of this study was to evaluate the effectiveness of the treatment with multifunctional nanostructured products on Apuan marble. The focus of the work was to test methods to accelerat…

Aging testMaterials scienceHydrophobicityMetallurgyApuan MarbleGeneral Materials SciencePhotocatalyticNanostructured productCondensed Matter PhysicsAging testMultifunctional coatingSettore ICAR/12 - Tecnologia Dell'ArchitetturaAtomic and Molecular Physics and OpticsSolid State Phenomena
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Voltammetric Analysis of Platinum in Environmental Matrices

2014

This article will summarize measurement data for Pt in different environmental samples obtained by the authors using a recently developed approach by voltammetric analysis. A fast accumulation of platinum and rhodium in the environmental and biological matrices has been observed in the last few years and concern has arisen about potential environmental and health risks. Voltammetry was used for the determination of Pt and Rh in airborne particulate collected in Palermo, Italy. Possible interferences by other environmental metals have also been evaluated. All samples show concentrations of Pt and Rh above average upper crust values. The Pt and Rh concentrations in particulate samples collect…

Air pollutionchemistry.chemical_elementParticulatesmedicine.disease_causeSettore CHIM/12 - Chimica Dell'Ambiente E Dei Beni Culturalilaw.inventionRhodiumchemistrylawEnvironmental chemistryCatalytic convertermedicineEnvironmental scienceSettore CHIM/01 - Chimica AnaliticaVoltammetric Analysis Platinum EnvironmentalDifferential pulse voltammetryPlatinumEnrichment factorVoltammetry
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Selective Introduction of Acid Sites in Different Confined Positions in ZSM-5 and Its Catalytic Implications

2018

Controlling the location of acid sites in zeolites can have a great effect on catalysis. In this work we face the objective of directing the location of Al into the 10R channels of ZSM-5 by taking advantage of the structural preference of B to occupy certain positions at the channel intersections, as suggested by theoretical calculations. The synthesis of B-Al-ZSM-5 zeolites with variable Si/Al and Si/B ratios, followed by B removal in a postsynthesis treatment, produces ZSM-5 samples enriched in Al occupying positions at 10R channels. The location of the acid sites is determined on the basis of the product distribution of 1-hexene cracking as a test reaction. The higher selectivity to prop…

Al siting02 engineering and technology010402 general chemistryFluid catalytic cracking01 natural sciencesDFTCatalysisCatalysisPropenechemistry.chemical_compoundQUIMICA ORGANICABoron ZSM-5General Chemistry021001 nanoscience & nanotechnologyProduct distribution0104 chemical sciencesCrystallographyCrackingchemistryCatalytic crackingZeolitesMethanolZSM-5MTO0210 nano-technologySelectivityACS Catalysis
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Catalytic cracking of alkanes on MCM-22 zeolite. Comparison with ZSM-5 and beta zeolite and its possibility as an FCC cracking additive

1995

Abstract N-heptane cracking has been carried out on MCM-22, and its kinetic and decay behaviour is compared with that of ZSM-5 and Beta zeolites. In the case of MCM-22 cracking occurs in the 10-member ring channel system, as well as in the large cavities formed by 12-member rings. Product selectivities show that MCM-22, while presenting features which indicate structural similarities with ZSM-5, it also presents characteristics corresponding to pores or cavities larger than ZSM-5. The selectivities to the individual products together with C1 + C2/iC4, C3/C4, C5/C2, iC4/total C4, and alkane/alkene ratios indicate that MCM-22 has good properties to be used as an FCC octane booster additive sp…

Alkanechemistry.chemical_classificationHeptaneAlkeneProcess Chemistry and TechnologyInorganic chemistryFluid catalytic crackingCatalysisCrackingchemistry.chemical_compoundchemistryChemical engineeringZSM-5ZeoliteOctaneApplied Catalysis A: General
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Formation of products responsible for motor and research octane of gasolines produced by cracking The implication of framework Si/Al ratio and operat…

1989

Abstract An alkane in the range of gasoline fraction ( n -heptane) has been used as a reactant to study the influence of zeolite Y catalyst and process variables (i.e., framework Si Al ratio and procedure of dealumination, time on stream, and contact time) on the formation of products responsible for motor and research octane of gasoline during cracking, namely branched, aromatics, and olefins. It is found that the branched isomers in the C 5 and C 6 fractions appear as primary products and are partly produced by disproportionation, since the ratio of iso to normal compounds is above equilibrium. The ratio of branched to linear products strongly decreases when the number of carbon atoms of …

Alkanechemistry.chemical_classificationHeptaneChemistryInorganic chemistryDisproportionationFluid catalytic crackingCatalysischemistry.chemical_compoundCrackingOctane ratingPhysical and Theoretical ChemistryGasolineOctaneJournal of Catalysis
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Catalytic cracking of n-alkane naphtha: The impact of olefin addition and active sites differentiation

2015

An extended dual kinetic model allows to fit the n-heptane cracking results working in a wide range of reaction conditions. The duality of the model is provided by the contribution of monomolecular and bimolecular cracking mechanisms. It takes into account the role played by the olefins formed on the global cracking or added within the feed. Furthermore by means of this model and the kinetic parameters obtained when cracking n-heptane on ZSM-5, it has been observed that, while some characterization techniques show a homogeneous zeolite surface from the point of view of the active sites, rigorous kinetic experiments point to the possibility that the reactant sees a heterogeneous surface with…

Alkanechemistry.chemical_classificationNaphthaOlefin fiberIsosteric heatKinetic modelsChemistryThermal desorption spectroscopyZeolite ZSM-5PhotochemistryFluid catalytic crackingCracking mechanismsCatalysisCatalysisDifferential heatCrackingQUIMICA ORGANICACatalytic crackingChemical physicsTemperature-programmed desorptionPhysical and Theoretical ChemistryZeoliteNaphthaTECNOLOGIA DEL MEDIO AMBIENTE
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Amino-phosphanes in RhI-Catalyzed Hydroformylation: Hemilabile Behavior of P,N Ligands under High CO Pressure and Catalytic Properties

2005

International audience; The catalytic properties of rhodium complexes containing the α-, β-, or γ-amino-phosphane ligands Ph2PCH2NEt2 (α-P,N-1), Ph2PCH(Ar)NHPh [α-P,N-2; Ar = η6(o-C6H4Cl)Cr(CO)3], Ph2PCH2NPh2 (α-P,N-3), Ph2PCH2CH(Ph)NHPh (β-P,N), Ph2PCH2(o-C6H4–NMe2) (γ-P,N-1), Ph2PCH(o-C6H4–CH2NHPh) (γ-P,N-2), and the α,β-diamino-phosphane ligand Et2NCH2P(Ph)CH2CH(Ph)NHPh (α,β-N,P,N), in styrene hydroformylation have been examined. The results show that the activity increases when the number of backbone carbon atoms linking P and N decreases from 3 to 1. IR and 31P HPNMR studies in solution show that all P,N ligands adopt exclusively a κ1-P coordination mode in rhodium chloride carbonyl co…

Amino-phosphane ligandsInorganic chemistrychemistry.chemical_elementHemilability010402 general chemistry01 natural sciencesChlorideMedicinal chemistryCatalysisRhodiumStyreneInorganic Chemistrychemistry.chemical_compound[ CHIM.CATA ] Chemical Sciences/Catalysismedicine[CHIM.COOR]Chemical Sciences/Coordination chemistryRhodiumComputingMilieux_MISCELLANEOUS010405 organic chemistryChemistryLigand[CHIM.ORGA]Chemical Sciences/Organic chemistryHydroformylation catalysis[ CHIM.COOR ] Chemical Sciences/Coordination chemistry[CHIM.CATA]Chemical Sciences/Catalysis0104 chemical sciencesCatalytic cycleHemilabilityHydroformylationmedicine.drug
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