NMR Observation of Mobile Protons in Proton-Implanted ZnO Nanorods.
Ontology highlight
ABSTRACT:
SUBMITTER: Park JK
PROVIDER: S-EPMC4796899 | biostudies-other | 2016 Mar
REPOSITORIES: biostudies-other
Similar Datasets
Project description:An oscillating piezoresistive microcantilever (MC) coated with an aluminum (Al)-doped zinc oxide (ZnO) nanorods was used to detect carbon monoxide (CO) in air at room temperature. Al-doped ZnO nanorods were grown on the MC surface using the hydrothermal method, and a response to CO gas was observed by measuring a resonant frequency shift of vibrated MC. CO gas response showed a significant increase in resonant frequency, where sensitivity in the order of picogram amounts was obtained. An increase in resonant frequency was also observed with increasing gas flow rate, which was simultaneously followed by a decrease in relative humidity, indicating that the molecular interface between ZnO and H2O plays a key role in CO absorption. The detection of other gases of carbon compounds such as CO2 and CH4 was also performed; the sensitivity of CO was found to be higher than those gases. The results demonstrate the reversibility and reproducibility of the proposed technique, opening up future developments of highly sensitive CO-gas detectors with a fast response and room temperature operation.
| S-EPMC7181168 | biostudies-literature
Project description:An important limitation of standard classical molecular dynamics simulations is the inability to make or break chemical bonds. This restricts severely our ability to study processes that involve even the simplest of chemical reactions, the transfer of a proton. Existing approaches for allowing proton transfer in the context of classical mechanics are rather cumbersome and have not achieved widespread use and routine status. Here we reconsider the combination of molecular dynamics with periodic stochastic proton hops. To ensure computational efficiency, we propose a non-Boltzmann acceptance criterion that is heuristically adjusted to maintain the correct or desirable thermodynamic equilibria between different protonation states and proton transfer rates. Parameters are proposed for hydronium, Asp, Glu, and His. The algorithm is implemented in the program CHARMM and tested on proton diffusion in bulk water and carbon nanotubes and on proton conductance in the gramicidin A channel. Using hopping parameters determined from proton diffusion in bulk water, the model reproduces the enhanced proton diffusivity in carbon nanotubes and gives a reasonable estimate of the proton conductance in gramicidin A.
| S-EPMC5705326 | biostudies-literature
Project description:Herein, we report the electrowetting-on-dielectric (EWOD) characteristics of ZnO nanorods (NRs) prepared via the hydrothermal method with different initial Zn2+ concentrations (0.03, 0.07, and 0.1 M). Diameter of the resultant ZnO NRs were 50, 70 and 85 nm, respectively. Contact angle (CA) measurements showed that the Teflon-coated ZnO NRs with diameters of 85 nm prepared from the 0.1 M solution had the highest CA (137°). During the EWOD studies, on the application of a voltage of 250 V, the water CA decreased to 78°, which demonstrates the potential application of this material in EWOD electronics. Furthermore, we explained the relationship between the applied voltage and CA based on the substrate nanostructures and our newly developed NR-on-film wetting model. In addition, we further validated our model by introducing the homo-composite dielectric structure, which is a composite of thin layered ZnO/Teflon and nano-roded ZnO/Teflon.
| S-EPMC7447809 | biostudies-literature
Project description:Various synchrotron radiation-based spectroscopic and microscopic techniques are used to elucidate the room-temperature ferromagnetism of carbon-doped ZnO-nanowires (ZnO-C:NW) via a mild C+ ion implantation method. The photoluminescence and magnetic hysteresis loops reveal that the implantation of C reduces the number of intrinsic surface defects and increases the saturated magnetization of ZnO-NW. The interstitial implanted C ions constitute the majority of defects in ZnO-C:NW as confirmed by the X-ray absorption spectroscopic studies. The X-ray magnetic circular dichroism spectra of O and C K-edge respectively indicate there is a reduction in the number of unpaired/dangling O 2p bonds in the surface region of ZnO-C:NW and the C 2p-derived states of the implanted C ions strongly affect the net spin polarization in the surface and bulk regions of ZnO-C:NW. Furthermore, these findings corroborate well with the first-principles calculations of C-implanted ZnO in surface and bulk regions, which highlight the stability of implanted C for the suppression and enhancement of the ferromagnetism of the ZnO-C:NW in the surface region and bulk phase, respectively.
| S-EPMC5958067 | biostudies-literature
Project description:We describe a new labeling method that allows for full protonation at the backbone Hα position, maintaining protein side chains with a high level of deuteration. We refer to the method as alpha proton exchange by transamination (α-PET) since it relies on transaminase activity demonstrated here using Escherichia coli expression. We show that α-PET labeling is particularly useful in improving structural characterization of solid proteins by introduction of an additional proton reporter, while eliminating many strong dipolar couplings. The approach benefits from the high sensitivity associated with 1.3 mm samples, more abundant information including Hα resonances, and the narrow proton linewidths encountered for highly deuterated proteins. The labeling strategy solves amide proton exchange problems commonly encountered for membrane proteins when using perdeuteration and backexchange protocols, allowing access to alpha and all amide protons including those in exchange-protected regions. The incorporation of Hα protons provides new insights, as the close Hα-Hα and Hα-HN contacts present in β-sheets become accessible, improving the chance to determine the protein structure as compared with HN-HN contacts alone. Protonation of the Hα position higher than 90% is achieved for Ile, Leu, Phe, Tyr, Met, Val, Ala, Gln, Asn, Thr, Ser, Glu, Asp even though LAAO is only active at this degree for Ile, Leu, Phe, Tyr, Trp, Met. Additionally, the glycine methylene carbon is labeled preferentially with a single deuteron, allowing stereospecific assignment of glycine alpha protons. In solution, we show that the high deuteration level dramatically reduces R2 relaxation rates, which is beneficial for the study of large proteins and protein dynamics. We demonstrate the method using two model systems, as well as a 32 kDa membrane protein, hVDAC1, showing the applicability of the method to study membrane proteins.
| S-EPMC6441447 | biostudies-literature
Project description:A new prototype of a Hamilton receptor suitable for the functionalization of inorganic nanoparticles was synthesized and characterized. The hydrogen bonding receptor was coupled to a catechol moiety, which served as anchor group for the functionalization of metal oxides, in particular zinc oxide. Synthesized zinc oxide nanorods [ZnO] were used for surface functionalization. The wet-chemical functionalization procedure towards monolayer-grafted particles [ZnO-HR] is described and a detailed characterization study is presented. In addition, the detection of specific cyanurate molecules is demonstrated. The hybrid structures [ZnO-HR-CA] were stable towards agglomeration and exhibited enhanced dispersability in apolar solvents. This observation, in combination with several spectroscopic experiments gave evidence of the highly directional supramolecular recognition at the surface of nanoparticles.
| S-EPMC4425075 | biostudies-literature
Project description:In redox metalloenzymes, the process of electron transfer often involves the concerted movement of a proton. These processes are referred to as proton-coupled electron transfer, and they underpin a wide variety of biological processes, including respiration, energy conversion, photosynthesis, and metalloenzyme catalysis. The mechanisms of proton delivery are incompletely understood, in part due to an absence of information on exact proton locations and hydrogen bonding structures in a bona fide metalloenzyme proton pathway. Here, we present a 2.1-Å neutron crystal structure of the complex formed between a redox metalloenzyme (ascorbate peroxidase) and its reducing substrate (ascorbate). In the neutron structure of the complex, the protonation states of the electron/proton donor (ascorbate) and all of the residues involved in the electron/proton transfer pathway are directly observed. This information sheds light on possible proton movements during heme-catalyzed oxygen activation, as well as on ascorbate oxidation.
| S-EPMC7104402 | biostudies-literature
Project description:Zinc acetate is recrystallized as lumber-shaped tetragonal rods by a novel recrystallization technique. Subsequently, the recrystallized zinc acetate is converted into ZnO nanorods in a glass vial by the simplest and cheapest method without utilizing any expensive instrumentation. Carbon is doped in ZnO nanorods during the preparation ZnO nanorods without any extra steps, chemicals, or effort. The carbon-doped ZnO nanorods can be dispersed in a solvent at very high concentrations and are also stable for a very long time, which are comparatively higher than those of the other existing ZnO nanoparticles. The higher dispersion concentration and higher stability of ZnO nanoparticles are explained by a scheme that demonstrates the suspending mechanism of the ZnO nanoparticles at higher concentrations with higher stabilities in a solvent through the anchoring groups of carbon. No materials are used for surface modification; no surface coatings, ionic materials, or pH controlling materials are used to increase the dispersion concentration and stability. This is the first observation of the doped carbon playing a significant role in the dispersion of ZnO nanoparticles at higher concentrations by withholding them in the solvent. Therefore, doped carbon at the surface of ZnO nanoparticles prevents the self-aggregation of ZnO nanoparticles in the solution phase by interfacial barrier layers among ZnO nanorods and interfacial interactive layer between ZnO nanorod and solvent.
| S-EPMC9080417 | biostudies-literature
Project description:Ce-doped ZnO (ZnO:Ce) nanorods have been prepared through a solvothermal method and the effects of Ce-doping on the structural, optical and electronic properties of ZnO rods were studied. ZnO:Ce rods were characterized by XRD, SEM, TEM, XPS, BET, DRS and Raman spectroscopy. 5% Ce-doped ZnO rods with an average length of 130 nm and a diameter of 23 nm exhibit the highest photocatalytic activity for the degradation of the Orange II dye under solar light irradiation. The high photocatalytic activity is ascribed to the substantially enhanced light absorption in the visible region, to the high surface area of ZnO:Ce rods and to the effective electron-hole pair separation originating from Ce doping. The influence of various experimental parameters like the pH, the presence of salts and of organic compounds was investigated and no marked detrimental effect on the photocatalytic activity was observed. Finally, recyclability experiments demonstrate that ZnO:Ce rods are a stable solar-light photocatalyst.
| S-EPMC5082445 | biostudies-literature
Project description:ZnO nanorods (NRs) arrays doped with a large concentration of Mn synthesized by aqueous chemical growth and were characterized by SEM, photoluminescence, Raman scattering, magnetic force microscopy (MFM). By comparison of spectra taken on pure and Mn-doped ZnO NRs, a few new Raman impurity-related phonon modes, resulting from the presence of Mn in the investigated samples. We also present a vibrational and magnetic characterization of individual lying nanorods using Raman and MFM imaging. Confocal scanning micro-Raman mapping of the spatial distribution of intensity and frequency of phonon modes in single Mn-doped ZnO NRs nanorods is presented and analyzed for the first time. Mn-related local vibrational modes are also registered in Raman spectra of the single nanorod, confirming the incorporation of Mn into the ZnO host matrix. At higher Mn concentration the structural transformation toward the spinel phase ZnMn2O4 and Mn3O4 is observed mainly in 2D bottom layers. MFM images of Mn-doped ZnO NR arrays and single nanorod were studied in nanoscale at room temperature and demonstrate magnetic behavior. The circular domain magnetic pattern on top of single nanorod originated to superposition of some separate domains inside rod. This demonstrates that long-range ferromagnetic order is present at room temperature. Aligned Mn-doped ZnO NRs demonstrates that long-range ferromagnetic order and may be applied to future spintronic applications.
| S-EPMC5429288 | biostudies-literature