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Wyniki wyszukiwania dla: reaction
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Facile Deposition of Pd Nanoparticles on Carbon Nanotube Microparticles and Their Catalytic Activity for Suzuki Coupling Reactions
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Redox reactions of the FAD-containing apoptosis-inducing factor (AIF) with quinoidal xenobiotics: A mechanistic study
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Reactions of NO2 with chromium(III) complexes with histamine and pyridoxamine ligands studied by the stopped-flow technique
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Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts
PublikacjaStwierdzono, że chloroform wbudowuje się do sieci krystalicznej dichlorowodorku 5,10,15,20-tetrafenyloporfiryny, oraz że powoduje krystalizację nowej, jednoskośnej odmiany polimorficznej porfirynianu miedzi(II), CuTPP. W pracy opisano strukturę krystaliczną solwatu dichlorowodorku porfiryny z ośmioma cząsteczkami chloroformu, C44H32N42+·2Cl-·8CHCl3, i porównano ją...
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Reactions of solute species at an electrode modified with titanocene functionalized polypyrrole film: ferrocene and titanocene dichloride
PublikacjaPo raz pierwszy zbadano możliwość intermediacji ładunku poprzez centra tytanocenowe polimeru modyfikowanego chemicznie związanymi grupami dichloro tytanocenowymido polipirolu. Badano reakcje elektrodowe ferrocenu i dichlorotytanocenu. Wykazano aktywność elektrodową w zakresie potencjałów redoks pary Ti(IV/TiIII)w stosunku do reakcji redoks ferrocenu i reakcji dichlorotytanocenu. Wykazano, że centra TcCl2 polimeru są zadowalająco...
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Medium-sized cyclic bis(anisylphosphonothioyl)- disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
PublikacjaCyclic 8-, 9-, 10-, and 12-membered bis(anisylphosphonothioyl)disulfanes were synthesized. Next, structurally related 7 to 9-membered cis and trans sulfanes were isolated as a result of sulfur atom extrusion from the parent cyclic disulfanes. The results of the desulfurization of the disulfanes were compared to the results obtained for desulfurization of the respective bis(anisylphosphodithioates). Cyclic disulfanes predominantly...
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublikacjaThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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Reactions of the Lithiated DiphosphinetBu2P-P(SiMe3)Li with [(η6-C6H6)RuCl2]2in the Presence of Tertiary Phosphines
PublikacjatBu2P–P(SiMe3)Li reacted with [(η6-C6H6)RuCl2]2at–40 °C in the presence of PR3(PR3=PEt3,PEt2Ph, PEtPh2) by the nucleophilic addition of the tBu2P–P(SiMe3) moiety to the benzene ring to yield solely the complexes [(R3P)2Ru(Cl)-{η5-C6H6(Me3SiP–PtBu2)}] (1). These products decomposed slowly at ambient temperature to yield benzene, Ru clusters, and small amounts of the dinuclear ruthenium complexes [{(R3P)2Ru}2(μ,η2:2-P2)2Ru(PR3)2](Ru–Ru)(6)....
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Catalytic activity and anion activation in SN2 reactions promoted by complexes of silicon polypodands. Comparison with traditional polyethers
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A TPC Detector for Studying Photo-nuclear Reactions at Astrophysical Energies with Gamma-ray Beams at ELI--NP
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Stock Markets’ Reactions to the Announcement of the Hosts. An Event Study in the Analysis of Large Sporting Events in the Years 1976–2032
PublikacjaThis study attempts to estimate the impact of the announcements of hosts of large sporting events on domestic stock markets. The research problem is to establish a connection between the uniqueness of a sporting event and investors’ beliefs through stock price behavior. Using appropriate estimation windows, 13 different sporting events classified as large, including mega and major events, were tested. The obtained results show...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublikacjaElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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Study of oxygen electrode reactions on symmetrical porous SrTi0.30Fe0.70O3-δ electrodes on Ce0.8Gd0.2O1.9 electrolyte at 800 °C–500 °C
PublikacjaIron doped strontium titanates (SrTi1-xFexO3-δ) are an interesting mixed ionic-electronic conductor model used to study basic oxygen reduction/oxidation reactions. In this work, we performed an impedance spectroscopy study on symmetrical porous SrTi0.30Fe0.70O3-δ (STF70) electrodes on a ceriabased electrolyte. The sample was measured in varying oxygen concentration: from 0.3% to 100% in 800 °C - 500 °C temperature range. Low polarisation...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublikacjaIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Copper and copper-manganese 1D coordination polymers: Synthesis optimization, crystal structure and preliminary studies as catalysts for Baylis–Hillman reactions
PublikacjaThis work reports the influence of experimental parameters (pH and counter-ion) in the synthesis of the 1D coordination polymer [Cu(IDA)(H2O)2]n (IDA = iminodiacetate), named here Cu-IDA. Copper-manganese bimetallic coordination polymers were also obtained by isomorphic replacement into Cu-IDA structure, with different molar ratio of Cu2+ and Mn2+ ions, denoted here as Cu/Mn-IDA (0.9/0.1; 0.7/0.3 and 0.5/0.5). New coordination...
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FTIR, NMR and kinetic studies of proton transfer reactions from nitro-substituted diarylmethanes to N-bases with guanidine character
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Gender belief systems through the lens of culture—Differences in precarious manhood beliefs and reactions to masculinity threat in Poland and Norway.
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Advanced oxidation processes (AOPs) based wastewater treatment - unexpected nitration side reactions - a serious environmental issue: A review
PublikacjaChemical compounds containing nitro group (nitro-products) are a one of toxic by-products, that can be formed during wastewater treatment processes. In case of presence of nitrite or nitrate ions, the formation of nitro-products during advanced oxidation processes (AOPs) is very common. It is caused by the reactive nitrogen species (RNs) such as nitrate radical (NO3•), nitrite radical (NO2•), nitrogen oxide radical (NO•) and peroxynirite...
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Multisine impedimetric probing of biocatalytic reactions for label-free detection of DEFB1 gene: How to verify that your dog is not human?
PublikacjaAlbert is a dog (Canis familiaris), but he does not realize this. Albert loves human food (and beer), watching movies on the internet, sleeping in bed, and more. But he should not do all these things. To convince him that, we have desinged a test procedure. The DEFB1 gene is unique to human species. Detecting its presence from saliva and in short periods may offer an advantage in the field of forensic medicine, and influence Albert’s...
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Relationships between acute reactions to radiotherapy in head and neck cancer patients and parameters of radiation-induced DNA damage and repair in their lymphocytes
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In silico study on the effects of carbonyl groups on chemical equilibrium of reactions with a polar product occurring under confinement in pores of activated carbons
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Application of Monoferrocenylsumanenes Derived from Sonogashira Cross-Coupling or Click Chemistry Reactions in Highly Sensitive and Selective Cesium Cation Electrochemical Sensors
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Quantitative structure activity relationships for the electron transfer reactions ofAnabaenaPCC 7119 ferredoxin-NADP+oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications
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Novel insights into conjugation of antitumor-active unsymmetrical bisacridine C-2028 with glutathione: characteristics of non-enzymatic and glutathione S-transferase-mediated reactions
PublikacjaUnsymmetrical bisacridines (UAs) are a novel potent class of antitumor-active therapeutics. A significant route of phase II drug metabolism is conjugation with glutathione (GSH), which can be non-enzymatic and/or catalyzed by GSH-dependent enzymes. The aim of this work was to investigate the GSH-mediated metabolic pathway of a representative UA, C 2028. GSH supplemented incubations of C-2028 with rat, but not with human, liver...
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A critical review on biochar-assisted free radicals mediated redox reactions influencing transformation of potentially toxic metals: Occurrence, formation, and environmental applications
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Reactions of lithiated diphosphanes R2P-P(SiMe3)LiTHF (R = tBu, iPr) with [(PNP)TiCl2]. Two different coordination types of phosphanylphosphido ligand to the metal center.
Publikacja[(PNP)TiCl2] (PNP = N[2-PiPr2-4-methylphenyl]2) reacts with one equivalent of lithium derivative of diphosphane R2P-P(SiMe3)LinTHF (R = tBu, iPr) in toluene and forms the first complex with g1-coordination [(PNP)Ti(Cl){g1-P(SiMe3)-PtBu2}] (1) and complex with g2-coordination [(PNP)Ti(Cl){g2-P(SiMe3)-PiPr2}] (2) of phosphanylphosphido ligands to the titanium center. The similar reaction with two equivalents of tBu2P-P(SiMe3)LinTHF...
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Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)
PublikacjaReactions of R2P−P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2] yield terminal phosphanylphosphido complexes [Cp(C5H4P-PR2)WH] or [Cp{C5H4P-PR2}-W(SiMe3)] by way of a hydrogen or SiMe3 migration to tungsten. The solid-state structures of [Cp(C5H4P−PtBu2)-WH] and [Cp(C5H4P-PNEt2)WH] were established by singlecrystalX-ray diffraction. Two stereoisomers of [Cp(C5H4P−PtBu2)WH] were identified by solution NMR spectroscopy. Reaction...
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Modification of structured bio‑carbon derived from spongin-based scaffolds with nickel compounds to produce a functional catalyst for reduction and oxidation reactions: Potential for use in environmental protection
PublikacjaThree different 3D fibrous-like NiO/Ni(OH)2/Ni‑carbonized spongin-based materials were prepared via a simple sorption–reduction method. Depending on the support used, the catalysts were composed of carbon, nickel oxide, nickel hydroxide and zero-valent nickel, with the surface content of the nickel-containing phase in the range 15.2–26.0 wt%. Catalytic studies showed promising activity in the oxidation of phenolic compounds in water...
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Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes
PublikacjaSeveral molecular cobalt(II) complexes, one Co(II) coordination polymer, and one ionic cobalt(III) complex with imine hemisalen ligands were synthesized. The hemisalen ligands were synthesized from o-vanillin (oVP) and diverse aminopyridines (compounds HL1–HL4) or aminophenol (compound HL5). It was observed that cobalt(II) chloride in dry acetonitrile catalyzes a transformation of HL1 and HL3 instead of complex formation. The conversion...
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Reactions of Lithium Salts of Triphosphanes tBu2P-PLi-PtBu2 and tBu2P-PLi-P(NEt2)2 with Metal Complexes [(R3P)2MCl2] (M = Ni, Pd, Pt, R3P = Et3P, pTol3P, Ph2EtP, iPr3P)
PublikacjatBu2P-PLi-PtBu2·2THF reacts with [(R3P)2MCl2] (M = Pt, Pd, Ni; R3P = Et3P, pTol3P, Ph2EtP, iPr3P) to yield isomers of [(1,2-η-tBu2P=P-PtBu2)M(PR3)Cl], in which the tBu2P-P-PtBu2 ligand adopts the arrangement of a side-on bonded 1,1-di-tert-butyl-2-(di-tert-butylphosphanyl)diphosphenium cation. tBu2P-PLi-P(NEt2)2·2THF reacts with [(R3P)2MCl2] but does not form complexes with a tBu2P-P-P(NEt2)2 moiety, however, splitting...
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Reactions of Lithiated Diphosphanes R2P−P(SiMe3)Li (R = tBu and iPr) with [MeNacnacTiCl2·THF] and [MeNacnacTiCl3]. Formation and Structure of TitaniumIII and TitaniumIV β‑Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities
Publikacjaβ-Diketiminate complexes of TiIII-containing phosphanylphosphido ligands [MeNacnacTi(Cl){η2-P(SiMe3)- PR2}] (MeNacnac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6- iPr2C6H3) were prepared by reactions of [MeNacnacTiCl2· THF] with lithium derivatives of diphosphanes R2P−P(SiMe3) Li (R = tBu, iPr) in toluene solutions. Surprisingly, reactions of [MeNacnacTiCl2·THF] with R2P−P(SiMe3)Li in THF solutions led to TiIV complexes containing phosphanylphosphinidene ligands...
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Reactions of (Ph)tBuP-P(SiMe3)Li·3THF with [(PNP)TiCl2] and [MeNacNacTiCl2·THF]. Synthesis of first PNP titanium(IV) complex with phosphanylphosphinidene ligand [(PNP)Ti(Cl){η2-P-P(Ph)tBu}]
PublikacjaLithium derivative of diphosphane (Ph)tBuP-P(SiMe3)Li (1) was isolated for the first time and investigated in reactions with β-diketiminate (MeNacnac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2C6H3) and PNP-pincer (PNP = N[2-PiPr2-4-methylphenyl]2) Ti(III) complexes. The β-diketiminate titanium(III) complex containing phosphanylphosphido ligand [MeNacNacTi(Cl){η2-P(SiMe3)-P(Ph)tBu}] (2) was prepared in reaction of [MeNacNacTiCl2·THF]...
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Reactions of tBu2P-PLi-P(tBu)2 with [(Et3P)2MCl2] (M = Ni, Pd, Pt). Synthesis and properties of [(1,2-h-tBu2P=P-P(tBu)2)M(PEt3)Cl] (M=Ni, Pd)
PublikacjatBu2P-PLi-P(tBu)2*2THF reaguje z [(Et3P)2MCl2] (M = Ni, Pd) dając odpowiednio [(1,2-h-tBu2P=P-P(tBu)2)Ni(PEt3)Cl] i [(1,2-h-tBu2P=P-P(tBu)2)Pd(PEt3)Cl]. Związek tBu2P-PLi-P(tBu)2 utlenia się i ligand tBu2P-P-P(tBu)2 przyjmuje w produktach strukturę bocznie związanego kationu z krótkim wiązaniem P-P. Reakcja ze związkami platyny nie dała oczekiwanych produktów.
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Reactions of R2P-P(SiMe3)2 with [(R'3P)2PtCl2]. Syntheses and Structures of [μ2-(1,2:2-η-P2){Pt(PEt3)2}2{Pt(PEt3)2Cl}]+Cl-, [{(Et2PhP)2Pt}2P2], [{(p-Tol3P)2Pt}2P2] and [(p-Tol3P)ClPt(μ-PPh2)2Pt(p-Tol3P)Cl]
PublikacjaReakcje difosfanów R2P-P(SiMe3)2 z [(R'3P)2PtCl2] są bardzo złożone. Główną ścieżką reakcji jest rozszczepienie wiązania P-P w startowym R2P-P(SiMe3)2, po czym następuje utworzenie kompleksu zawierającego P2: [{(R'3P)2Pt}2P2] oraz difosfanu R2P-PR2. Produkty reakcji (zarówno główne jak i uboczne), zostały scharakteryzowane na podstawie spektroskopii 31P NMR. Dla czterech tytułowych związków wykonano rentgenowską analizę strukturalną...
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Theoretical study of the energetics of the reactions of triplet dioxygen with hydroquinone, semiquinone, and their protonated forms: relation to the mechanism of superoxide generation in the respiratory chain = Badanie teoretyczne energii z energii reakcji dioksygenu potrójnego z wodorem, półkiną i ich formami protony: relacja z mechanizmem wytwarzania supertlenku w łańcuchu oddechowym
PublikacjaW pracy prezentujemy wyniki obliczeń kwantowych ab initio i półempirycznych energetyki reakcji redukcji jednoelektronowej tlenu trypletowego. Zaproponowaliśmy cztery możliwe mechanizmy redukcji i przeprowadziliśmy obliczenia kwantowe. Z obliczeń wynika, że najprawdopodobniejszy mechanizm reakcji wiedzie poprzez przeniesienie elektronu z anionu hydrochinonu po deprotonacji lub też z rodnika semichinonowego na tlen cząsteczkowy,...
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Reactions of R<sub>2</sub>P-P(SiMe<sub>3</sub>)Li with [(R'<sub>3</sub>P)<sub>2</sub>PtCl<sub>2</sub>]. A General and Efficient Entrance to Phosphanylphosphinidene Complexes of Platinum. Syntheses and Structures of [(η<sub>2</sub>-P=P<sup>i</sup>Pr<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [(η<sub>2</sub>-P=P<sup>t</sup>Bu<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [{η<sub>2</sub>-P=P(N<sup>i</sup>Pr<sub>2</sub>)2}Pt(p-Tol<sub>3</sub>P)<sub>2</sub>] and [{(Et<sub>2</sub>PhP)<sub>2</sub>Pt}<sub>2</sub>P<sub>2</sub>].
PublikacjaReakcje pochodnych litowych difosfanów R2P-P(SiMe3)Li z (R'3P)2PtCl2 zachodzą łatwo i prowadzą do wytworzenia bocznie (side-on) związanych fosfanofosfinidenowych kompleksów platyny [(η2-P=PR2)Pt(PR'3)2] (dla R=tBu, iPr, Et2N, iPr2N). Reakcja Ph2P-P(SiMe3)Li...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublikacjaRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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A study of a reduction of a micro- and nanometric bismuth oxide in hydrogen atmosphere
PublikacjaA reduction of bismuth oxide in hydrogen atmosphere was investigated. The reaction was performed with a material in various structural forms: powder: with micrometric grains, powder with nanometric grains and powder pressed into pellets. The process was performed in both isothermal and non-isothermal conditions. An activation energy of the reaction calculated with Friedman method was found to be about 85 kJ/mol for the reduction...
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublikacjaThe nonlinear phenomena in the field of high intensity sound propagating in a gas with a chemical reaction, are considered. A chemical reaction of A → B type is followed by dispersion and attenuation of sound which may be atypical during irreversible thermodynamic processes under some conditions. The first and second order derivatives of heat produced in the chemical reaction evaluated at the equilibrium temperature, density and...
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Graphene hydrogels with embedded metal nanopatricles as efficient catalysts in 4-nitrophenol reduction and methylene blue decolorization
PublikacjaSynthesis and characterization of the graphene hydrogels with three different metallic nanoparticles, that is Au, Ag and Cu, respectively is presented. Synthesized in a one-pot approach graphene hydrogels with embedded metallic nanoparticles were tested as heterogeneous catalysts in a model reaction of 4-nitrophenol reduction. The highest activity was obtained for graphene hydrogel with Cu NPs and additional reaction of methylene...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublikacjaThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Advanced oxidation treatment of Pentoxifylline in aqueous solution
PublikacjaThe degradation of pentoxifylline (PTX) using H2O2, UV, H2O2/UV, Fenton and photo- Fenton processes has been examined in aqueous solution. The influence of various amount of oxidation agent on H2O2, H2O2/UV, Fenton and photo-Fenton reactions were investigated. Initial PTX concentration in Fenton and photo-Fenton was considerated. The addition of inorganic ions (Cl-, NO3-, SO42- and CO32-) on the degradation efficiency of PTX were...
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Study of Metrological Properties of Voltammetric Electrodes in the Time Domain
PublikacjaMetrological properties of voltammetric electrodes, in the situation where on their surface an electrochemical reaction of oxidizing/reduction takes place, were analyzed in this chapter. The properties of electrodes on which a reaction controlled by ion transport process takes place were taken into consideration. Also, it was analyzed how the electrode’s shape and the voltage polarizing the electrode influence this electrode’s...
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Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublikacjaCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
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Precipitation and Transformation of Vaterite Calcium Carbonate in the Presence of Some Organic Solvents
PublikacjaIn this paper, the production of CaCO3 particles via the carbonation route in the reaction of CaCl2 and CO2, using NH3 as a promoter of CO2 absorption, was studied. The solvents used as the reaction media for CaCO3 precipitation were aqueous solutions of methanol, isopropanol and dimethyl sulfoxide (DMSO), in a concentration range of 0–20% (v/v). It was found that the presence of an organic additive influenced the precipitation...
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Micellar Route of the Synthesis of Alkyl Xylosides: An Unexpected Effect of Amphiphilic Imidazolium Ionic Liquids
PublikacjaThis manuscript presents results from the investigation on the synthesis of alkyl xylosides by the novel, very efficient and promising protocol of the Fischer synthesis from unprotected xylose and aliphatic alcohol. The use of 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids as the catalysts with dual functionality (surfactant + acid catalyst) and micellar reaction system are the main novelty of described method. It has...
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Efficient Method for the Synthesis of Functionalized Basic Maleimides
PublikacjaA three-step procedure involving Diels-Alder condensation of maleic anhydride with furane, formation of N-substituted imide upon reaction with appropriate diamine and a final retro Diels-Alder regeneration of the maleic carbon-carbon double bond is proposed for an unequivocal synthesis of N-substituted basic maleimides. The novel method is characterized by mild reaction conditions, easy work-up, high yields and no need for additional...
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Efficient Selenenylation of Malonates Using Bis(phosphorothioyl) Diselenide
PublikacjaBis(O,O-diisopropoxyphosphinothioyl) diselenide reacts readily and quickly with the sodium salt of malonates to give quantitatively stable sodium 2-(O,O-diisopropyl phosphorothioselenenyl)propanedioates. No traces of the corresponding C,C-diselenenylation products were detected. A standard aqueous workup procedure affords the products, albeit in poor yield (about 45%). It was proved that the reaction is reversible due to the presence...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublikacjaThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Convenient Syntheses of N-Methylthioamides: A Migration of the H2S Molecule in the Thioamide-nitrile System
PublikacjaThe 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...