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Strana 1 z 55 Výsledek
Computation of pKa values of substituted aniline radical cations in dimethylsulfoxide solution.
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A newly developed computation strategy was used to calculate the absolute pKa values of 18 substituted aniline radical cations in dimethylsulfoxide (DMSO) solution with the error origin elucidated and deviation minimized. The B3LYP/6-311++G(2df,2p) method was applied and was found to be capable of
Bioassay of aniline hydrochloride for possible carcinogenicity.
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A bioassay of aniline hydrochloride for possible carcinogenicity was conducted using Fischer 344 rats and B6C3F1 mice. Aniline hydrochloride was administered in the feed, at either of two concentrations, to groups of 50 male and female animals of each species, with the exception of 49 female mice in
Splenic fibrosis and sarcomas in F344 rats fed diets containing aniline hydrochloride, p-chloroaniline, azobenzene, o-toluidine hydrochloride, 4,4'-sulfonyldianiline, or D & C red No. 9.
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In six carcinogenicity bioassays, male and female F344 rats were fed diets containing aniline hydrochloride (CAS: 142-04-1; hydrochloride benzenamide), p-chloroaniline (CAS: 106-47-8), azobenzene (CAS: 103-33-3), o-toluidine hydrochloride (CAS: 636-21-5), dapsone (CAS: 80-08-0;
Aniline-containing guests recognized by α,α',δ,δ'-tetramethyl-cucurbit[6]uril host.
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The host-guest complexation of symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril (TMeQ[6]) and cucurbit[7]uril (Q[7]) with a series of aniline-containing guests has been investigated by various experimental techniques including NMR, ITC, and X-ray crystallography. Experimental results indicate that
Reaction of primary aromatic amines with alkyl carbonates over NaY faujasite: a convenient and selective access to mono-N-alkyl anilines.
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At atmospheric pressure and at 130-160 degrees C, primary aromatic amines (p-XC6H4NH2, X = H, Cl, NO2) are mono-N-alkylated in a single step, with symmetrical and asymmetrical dialkyl carbonates [ROCOOR', R = Me, R' = MeO(CH2)2O(CH2)2; R = R' = Et; R = R' = benzyl; R = R' = allyl; R = Et, R' =
Yotta-photonic excitation spectroscopy of salicylidene-m-bromo-aniline.
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The observation of triplet-triplet absorption and emission spectra of salicylidene-m-bromo-aniline in solution, is complicated by the possible colored isomer formation during the optical pumping for yotta-photonic excitation at room temperature. The short-lived (singlet-singlet) and long-lived
Spectral, thermal, and molecular modeling studies on the encapsulation of selected sulfonamide drugs in β-cyclodextrin nano-cavity.
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In the present work the inclusion complexation of three sulfonamide (SA) drugs, namely sulfisoxazole (SSX), sulfamethizole (SMZ), and Sulfamethazine (STM) with β-cyclodextrin (β-CD) has been investigated using UV-Vis spectroscopy, DSC, (1)H NMR spectroscopy, and molecular modeling methods. The
Visualization of root caries lesions by means of a diazonium dye.
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A diazonium dye was used to visualize caries lesions in root tissue. Root caries lesions were created in vitro according to a variety of protocols based on methylcellulose gel (6% w/v) and/or lactic acid buffer (0.05 M, pH 4.5). Teeth containing lesions were soaked overnight in an alkaline solution
Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
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Both large-to-small and nonpolar-to-polar mutations in the hydrophobic core of T4 lysozyme cause significant loss in stability. By including supplementary stabilizing mutations we constructed a variant that combines the cavity-creating substitution Leu99 --> Ala with the buried charge mutant Met102
Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules.
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Many approaches have been used to improve the accuracy of implicit solvent models including solute cavity scaling, introducing explicit solvent molecules, and changing the level of theory for the solvation calculations. Here, we compare these strategies using a large test set of aqueous
Electrochemical sensor for dopamine based on imprinted silica matrix-poly(aniline boronic acid) hybrid as recognition element.
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A novel imprinted silica matrix-poly(aniline boronic acid) hybrid for electrochemical detection of dopamine (DA) was developed. Boronic acid functionalized conducting polymer was electrochemically prepared on Au electrode. The number of covalent binding sites toward DA templates was controlled by
Chemical Characterization of Aerosol Particles Using On-Chip Photonic Cavity Enhanced Spectroscopy.
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We demonstrate the chemical characterization of aerosol particles with on-chip spectroscopy using a photonic cavity enhanced silicon nitride (Si3N4) racetrack resonator-based sensor. The sensor operates over a broad and continuous wavelength range, showing cavity enhanced
Aniline-Based Inhibitors of Influenza H1N1 Virus Acting on Hemagglutinin-Mediated Fusion.
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Two series of easily accessible anilines were identified as inhibitors of influenza A virus subtype H1N1, and extensive chemical synthesis and analysis of the structure-activity relationship were performed. The compounds were shown to interfere with low pH-induced membrane fusion mediated by the H1
Double recognition of dopamine based on a boronic acid functionalized poly(aniline-co-anthranilic acid)-molecularly imprinted polymer composite.
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In this work, we report a competitive sensor performing "double recognition" for the specific capture of dopamine (DA) with the combination of boronic acid functional groups and molecularly imprinted cavities based on poly(aniline-co-anthranilic acid) (PANANA) as the support material. This novel
Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein.
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Ligand affinities can be optimized by interfacial cavity filling. A hollow (Phe43 cavity) between HIV-1 surface glycoprotein (gp120) and cluster of differentiation 4 (CD4) receptor extends beyond residue phenylalanine 43 of CD4 and cannot be fully accessed by natural amino acids. To increase HIV-1
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Zadejte symptom nebo chorobu a přečtěte si o bylinách, které by vám mohly pomoci, napište bylinu a podívejte se na nemoci a příznaky, proti kterým se používá.
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