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Search results for: catalysis
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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Application of a new class B-podands in solid–liquid phase transfer catalysis
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Synthesis, structure and application of a new class of Tr-podands derived in phase-transfer catalysis
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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Catalytic carbonization of polypropylene by the combined catalysis of activated carbon with Ni2O3 into carbon nanotubes and its mechanism
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Synergistic Catalysis of Co(OH)2/CuO for the Degradation of Organic Pollutant Under Visible Light Irradiation
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Catalytic conversion of linear low density polyethylene into carbon nanomaterials under the combined catalysis of Ni2O3 and poly(vinyl chloride)
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Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation
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Synergistic catalysis of Fe3O4/CuO bimetallic catalyst derived from Prussian blue analogues for the efficient decomposition of various organic pollutants
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Striking influence of chain structure of polyethylene on the formation of cup-stacked carbon nanotubes/carbon nanofibers under the combined catalysis of CuBr and NiO
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Catalytic impact of alloyed Al on the corrosion behavior of Co50Ni23Ga26Al1.0 magnetic shape memory alloy and catalysis applications for efficient electrochemical H2 generation
PublicationThe electrochemical and corrosion behaviour of Co50Ni23Ga27-xAlx (x = 0 and 1.0 wt%) magnetic shape memory alloys (MSMAs) was studied in 0.5 M NaCl solutions using various electrochemical techniques. Results showed remarkable activation of the tested MSMA toward pitting corrosion upon alloying it with Al. XPS examination confirmed the activation influence of alloyed Al. It proved that the presence of Al in the alloy's matrix weakens...
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Synthesis of 3-indolylmethyl substituted (pyrazolo/benzo)triazinone derivatives under Pd/Cu-catalysis: Identification of potent inhibitors of chorismate mutase (CM)
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Novel isatin–indole derivatives as potential inhibitors of chorismate mutase (CM): their synthesis along with unexpected formation of 2-indolylmethylamino benzoate ester under Pd–Cu catalysis
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Randomly Functionalized Polyethylenes: In Quest of Avoiding Catalyst Deactivation
PublicationWell-defined randomly functionalized polyolefins produced by catalysis form an interesting class of polymers with great potential for various applications. One of the major challenges for the production of these materials forms the incompatibility of the commonly used electrophilic group 4 metal based catalysts and the desired nucleophilic, especially protic functionalities like hydroxyl and carboxylic acid groups. Although pacification...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublicationCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Enzyme Conjugation - A Promising Tool for Bio-catalytic and Biotransformation Applications – A Review
PublicationEnzymes have revolutionized conventional industrial catalysts as more efficient, eco-friendly, and sustainable substitutes that can be used in different biotechnological processes, food, and pharmaceutical industries. Yet, the enzymes from nature are engineered to make them adapt and enhance their durability in the industrial environment. One promising approach involves the combined use of multiple enzymes that catalyze highly...
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Photocatalytically Active TiO2/Ag2O Nanotube Arrays Interlaced with Silver Nanoparticles Obtained from the One-Step Anodic Oxidation of Ti–Ag Alloys
PublicationThe development of a photocatalyst with remarkable activity to degrade pollutants in aqueous and gas phase requires visible lightresponsive stable materials, easily organized in the form of a thin layer (to exclude the highly expensive separation step). In this work, we present a one-step strategy for synthesizing material in the form of a self-organized TiO2/Ag2O nanotube (NT) array interlaced with silver nanoparticles (as in a...
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Effect of irradiation intensity and initial pollutant concentration on gas phase photocatalytic activity of TiO2 nanotube arrays
PublicationWell-organized TiO2 nanotube arrays were fabricated via one-step anodization process. The as-prepared TiO2 nanotubes were characterized by X-ray powder diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM). Photocatalytic activity of obtained photocatalyst was studied in reaction of toluene degradation in the gas phase using low powered and low...
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Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability
PublicationTitanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublicationWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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A Reaction of Thioamides with Zinc Ammoniates Leading to Simple Amidines. Discovery of a New Zwitterionic Monomethylamidine
PublicationThe reaction of thioamides with the R1R2N-ZnCl ammoniates leads to N-mono-, N,N'-di-, N,N-disubstituted, and unsubstituted amidines with high concns. of amines in abs. ethanol. The efficient direct formation of the N,N'-dimethylamidine can be explained by a greater reactivity of methylamine compared with dimethylamine. Discovery of a new zwitterion (induced by a carbonyl oxygen) suggests that the stabilization in the thymine...
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Operando EPR Study of Radical Formation in Anion-Exchange Membrane Fuel Cells
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H3PMo12O40-doped polyacetylene as a catalyst for ethyl alcohol conversion
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Hydrogen evolution on the reduced TiO2 under simulated solar lamp
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Methylene blue decomposition on TiO2/reduced graphene oxide hybrid photocatalysts obtained by a two-step hydrothermal and calcination synthesis
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Photocatalytic Removal of Phenol Under UV Irradiation on WO x –TiO2 Prepared by Sol–Gel Method
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TiO2 Nanoparticles with High Photocatalytic Activity Under Visible Light
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Application of photoactive electrospun nanofiber materials with immobilized meso-tetraphenylporphyrin for parabens photodegradation
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Formation of 2-chloroallyl alcohol oligomers using a new crystalline dipicolinate complex of Cr(III) as a catalyst
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Photodegradation and advanced oxidation of endocrine disruptors in aqueous solutions
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Quantum chemical modelling of the process of lithium insertion into WO3 films
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Engineering a de Novo Transport Tunnel
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Copper oxide thin films as components for heterojunction formation with TiO2 for photocatalytic CO2 reduction
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Metal doped TiO2 decorated carbon nanostructured materials as an emerging photocatalysts for solar fuels production
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A new method for preparation of rutile phase titania photoactive under visible light
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Spectroelectrochemical analysis of TiO 2 electronic states – Implications for the photocatalytic activity of anatase and rutile
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On Oxygen Activation at Rutile- and Anatase-TiO2
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Carbon catalysts from pine cones – Synthesis and testing of their activities
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The studies on the limonene oxidation over the microporous TS-1 catalyst
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Influence of Technological Parameters on the Isomerization of Geraniol Using Sepiolite
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New type of repeated Si–C-podand catalysts for solid–liquid phase transfer reactions
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Fe-promoted CuO/CeO2 catalyst
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Surface properties of wustite based iron-cobalt catalysts for ammonia synthesis reaction
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The application of titanium dioxide for deactivation of bioparticulates: An overview
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Fused FeCo catalysts for hydrogen production by means of the ammonia decomposition reaction
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Study of the Kinetics of Ammonia Synthesis and Decomposition on Iron and Cobalt Catalysts
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Kinetics studies of recrystallization process of metallic catalysts for ammonia synthesis
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Ethanol production in membrane distillation bioreactor
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Synthesis of 2-Propanoyl-5-Norbornene in Pyridinium Ionic Liquids Catalyzed by Yttrium Salts
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