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Thus, the mechanism of the peroxidase-like nanozyme Cu-CuFe2O4 is proposed.Understanding transport mechanisms of electrons and phonons, two major energy carriers in solids, are crucial for various engineering applications. It is widely believed that more free electrons in a material should correspond to a higher thermal conductivity; however, free electrons also scatter phonons to lower the lattice thermal conductivity. The net contribution of free electrons has been rarely studied because the effects of electron-phonon (e-ph) interactions on lattice thermal conductivity have not been well investigated. Here an experimental study of e-ph scattering in quasi-one-dimensional NbSe3 nanowires is reported, taking advantage of the spontaneous free carrier concentration change during charge density wave (CDW) phase transition. Contrary to the common wisdom that more free electrons would lead to a higher thermal conductivity, results show that during the depinning process of the condensed electrons, while the released electrons enhance the electronic thermal conductivity, the overall thermal conductivity decreases due to the escalated e-ph scattering. This study discloses how competing effects of free electrons result in unexpected trends and provides solid experimental data to dissect the contribution of e-ph scattering on lattice thermal conductivity. Lastly, an active thermal switch design is demonstrated based on tuning electron concentration through electric field.A chronological account is given to the development of a full range interatomic potential. Starting with a simple phenomenological model, the terms in the model are gradually modified, so that they can carry some definite physical meaning. To gain insight, a systematic, order by order interaction potential theory is developed. Conversely, this theory suggests the functional form for the potential model. At present, we have a simple interaction model that is capable of describing the van der Waals potentials of many systems from R = 0 to R → ∞.Developing convenient and sensitive detection methods for antibiotic residues in food is beneficial for ensuring food quality and human health. The tough challenges that limit the development of sensitive, quantitative, portable, on-the-spot antibiotic detectors are the lack of simple and effective target recognition and signal amplification strategies, and direct digital quantification. Herein, we developed a visual digital quantitative aptasensor, based on a binding-induced 3-D DNA nanomachine signal probe, for the simple and sensitive, on-the-spot detection of antibiotics.In the present study, the utility of Pr3+/Pr4+ and Bi3+/Bi(0) redox couples for oxidation and reduction reactions is demonstrated by synthesizing bismuth-substituted PrO1.833 samples following a solution combustion method. The samples retained the defect fluorite structure of PrO1.833 with the inclusion of up to 40 mol% of bismuth, beyond which the rhombohedral structure emerged. The microscopic analysis also reinforced the defect fluorite structure of these samples. The lattice expanded with the inclusion of bismuth. The samples had porous morphology, and the X-ray energy dispersive spectral analysis ensured the presence of Pr and Bi closer to the nominal molar ratio. The intense band at 565 cm-1 in the Raman spectrum shifted to higher values with a progressive increase in bismuth content due to the creation of more oxygen vacancies. In Pr0.60Bi0.40O2-δ, Pr existed in +3 and +4 oxidation states, as revealed by the X-ray photoelectron spectral analysis. The photoluminescence spectra consisted of 4f-4f transitions of Pr3+ and emission in the blue region (due to oxygen vacancies). Both Pr0.60Bi0.40O2-δ and PrO1.833 remained paramagnetic in field-dependent and temperature-dependent measurements down to 2 K. The effective magnetic moment, retentivity, and coercivity decreased on moving from PrO1.833 to Pr0.60Bi0.40O2-δ. The bismuth-substituted samples catalyzed the oxidative degradation of xylenol orange and methyl orange. The degraded products from these reactions were identified. The bismuth-substituted samples also catalyzed the reduction of nitroaromatics. These transformations followed pseudo-first-order kinetics.Pincer-type tridentate pyridyl bis(pyridylidene amide) (pyPYA2) ligand systems were coordinated to the Earth-abundant first row transition metals nickel, cobalt and zinc. A one-pot synthesis in water/ethanol afforded octahedral homoleptic bis-PYA complexes, [M(pyPYA2)2](PF6)2, whereas five-coordinate mono-PYA dichloride complexes, [M(pyPYA2)Cl2], were obtained upon slow addition of the ligand to the metal chlorides in DMF. Electrochemical measurements further revealed a facile oxidation of the metal centers from Ni2+ to Ni4+ and Co2+ to Co3+, respectively, while the Zn2+ system was redox inactive. These experiments further allowed for quantification of the much stronger electron donor properties of neutral N,N,N-tridentate pyPYA2 pincer ligands as compared to terpy. Remarkably, ortho-PYA pincer ligands feature amide coordination to the metal center via oxygen or nitrogen. This ambidentate ligand binding constitutes another mode of donor flexibility of the PYA ligand system, complementing the resonance structure dynamics established previously. NMR spectroscopic and MS analysis reveal that the meta-PYA ligand undergoes selective deuteration when coordinated to cobalt. This reactivity suggests the potential of this ligand as a transient proton reservoir for HX bond activation and, moreover, indicates the relevance of several resonance structures and therefore supports the notion that meta-PYA ligands are mesoionic.A new type of mesoporous silica (MS) with high surface area and large pore volume has been synthesised by employing a rapid sol-gel based inverse micelle method and electrochemically active metal center, manganese, has been incorporated into it. The MnO2 decorated silica composites are obtained through the wet impregnation technique using KMnO4 followed by their reduction under neutral conditions. The structure and surface area of the samples have been characterised by powder X-ray diffraction (XRD), BET surface area and pore size analysis, transmission and scanning electron microscopy (TEM and FE-SEM), FT-IR spectroscopy and X-ray photoelectron spectroscopy (XPS). Electrochemical techniques, i.e. cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS), have been used to evaluate the electrochemical properties of the composites. The resultant composite MS/MnO2-3 with a significantly high surface area (453 m2 g-1) is found to exhibit a superior specific capacitance of 1158.50 F g-1 at a scan rate of 5 mV s-1 which is very close to the theoretical value and retains 87.8% of its capacitance up to 1000 cycles at 1 A g-1 current density. The outstanding electrochemical performance of the composite can be attributed to the high surface area and uniform pore size distribution of the novel silica host which simultaneously increases the electrochemically active centres, promotes electrolyte penetration and enhances electron transport. The simplicity of the synthesis process developed here is interesting for wide-scale production of MnO2-based electro-active materials.Here, we report a reaction cascade employing the substituent-induced post-assembly modification of a Co(iii) complex. Unexpectedly, we found that the (triisopropylsilyl)alkynyl moiety introduced to the Sonogashira reaction with the bromo-functionalized Co(iii) assembly plays a "Trojan horse" role, triggering a subsequent, second step of the cascade, i.e. Co(iii) to Co(ii) reduction. The reported substituent-activated Sonogashira-redox cascade reaction might set a new direction in the construction of specific chemical sensors.In this paper, we report on the study of a novel type of substrate based on a highly crystalline ZnO film photo-irradiated using UV for enhancing the Raman signal. This effect is called photo-induced enhanced Raman spectroscopy (PIERS). This PIERS substrate is composed of a photo-irradiated thin ZnO film on which gold nanoparticles are deposited and allows large photo-induced SERS enhancement to be obtained for the chemical detection of small molecules compared to normal SERS signals. This photo-induced SERS enhancement is due to increasing electron density of the gold nanoparticles and charge transfer mechanisms. Here, we achieve a high quality PIERS substrate, the signal of which exhibits weaker fluctuations and a similar or greater gain (up to 7.52) than those reported in the current literature. Henceforth, these PIERS substrates can be of great potential for industrial applications.In the current study, we evaluated the antimicrobial activity of randomly-sequenced peptide mixtures (RPMs) bearing hydrophobic and cationic residues that were immobilized on beads. We showed that these beads exhibit high and broad bactericidal activity against various pathogenic bacteria while possessing minimal hemolytic activity.The electroproduction of H2O2 through 2e oxygen reduction reaction (ORR) as an alternative strategy for the conventional anthraquinone process is highly energy-efficient and environment-friendly. Different kinds of electrocatalysts with high selectivity, activity, and stability have been recently reported, and are an essential part of the whole electroproduction process of H2O2. In this review, we expound the ORR mechanism and introduce some methods to screen out potential electrocatalysts through theoretical calculations and experimental verifications. In addition, recent advances in reactor design for large-scale on-site production of H2O2 and integrated systems for electricity-H2O2 co-generation are mentioned. With ideal electrocatalysts and rational reactor design, different concentrations of H2O2 can be obtained depending on the practical applications. Utilizing the solar or chemical energy, it can promote energy efficiency and sustainability of the process. Finally, we make a brief conclusion about recent developments in electrocatalysts, device design, as well as integrated systems, and give an outlook for future research challenges, which are meaningful for advancing the electrochemical on-site production of H2O2via 2e ORR to the marketplace.Pair-wise additive force fields provide fairly accurate predictions, through classical molecular simulations, for a wide range of structural, thermodynamic, and dynamical properties of many materials. However, one key property that has not been well captured is the static dielectric constant, which characterizes the response of a system to an applied electric field and is important in determining the screening of electrostatic interactions through a system. A simple correction has been found to provide a relatively robust method to improve the estimate of the static dielectric constant from molecular simulations for a broad range of compounds. This approach accounts for the electronic contribution to molecular polarizability and assumes that the charges that couple a molecule to an applied electric field are proportional to the effective force field charges. In this work, we examine how this correction performs for systems at different temperatures and for binary mixtures. BAY 85-3934 modulator Using a value for the electronic polarizability, based on the experimental index of refraction, and a charge scaling factor, determined at a single temperature, we find that the static dielectric constant can be predicted remarkably well, in comparison to the experimentally measured values.