Materials Literature
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Palladium/zinc catalysts supported on carbon nanofibers (CNFs) have been used to study the catalytic performance in the hydrogenation of CO 2 to obtain methanol at atmospheric pressure. The carbon nanofiber support has an influence on the nature of the PdZn alloy formed. The effect of the Pd/Zn molar ratio on the PdZn…
The aerobic oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) was investigated over hydrotalcite (HT)-supported various catalysts composed of PVP-capped Au, Pd, or Pt. Among all prepared catalysts, Pd20Pt80-PVP/HT possessed highest activity for FDCA formation. PdxPty-PVP/HT is characteriz…
Storage and separation of small (C1-C3) hydrocarbons are of great significance as these are alternative energy resources and also can be used as raw materials for many industrially important materials. Selective capture of greenhouse gas, CO2 from CH4 is important to improve the quality of natural gas. Among the avail…
The fundamental relationship between structure and diradical character is important for the development of open-shell diradicaloid-based materials. In this work, we synthesized two structural isomers bearing a 2,6-naphthoquinodimethane or a 1,5-naphthoquinodimethane bridge and demonstrated that their diradical charact…
PtFe alloy nanostructures enclosed by differently oriented facets, including polyhedrons, concave cubes, and nanocubes, were synthesized through the fine adjustment of specific surfactant–crystal facet bindings. PtFe nanostructures with various alloy compositions were then employed as the counter electrodes (CEs) for…
The influence of interface structure on the magnetic proximity effect (MPE) in Pt/Y3Fe5O12 (YIG) bilayered heterostructures is studied by first-principles calculations based on the density functional theory (DFT). When Pt atoms are in close proximity with Y or Fe ions at the interface, Pt-Y and Pt-Fe bonds are observe…
Lateral slicing of micron length carbon nanotubes (CNTs) is effective on laser irradiation of the materials suspended within dynamic liquid thin films in a microfluidic vortex fluidic device (VFD). The method produces sliced CNTs with minimal defects in the absence of any chemical stabilizers, having broad length dist…
GLYCAM06 and CHARMM36 are successful force fields for modeling carbohydrates. To correct recently identified deficiencies with both force fields, we adjusted intersolute nonbonded parameters to reproduce the experimental osmotic coefficient of glucose at 1 M. The modified parameters improve behavior of glucose and suc…
PbCuTe_{2}O_{6} is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu^{2+} ions although additional interactions enhance the magnetic lattice connectivit…
High-resolution structures of oligomers formed by the β-amyloid peptide Aβ are needed to understand the molecular basis of Alzheimer's disease and develop therapies. This paper presents the X-ray crystallographic structures of oligomers formed by a 20-residue peptide segment derived from Aβ. The development of a pepti…
Recent experiments in DIII-D [J. L. Luxon et al., in Plasma Physics and Controlled Nuclear Fusion Research 1996 (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159] have led to the discovery of a means of modifying edge turbulence to achieve stationary, high confinement operation without Edge Localized…
We present a novel concept of a magnetically tunable plasmonic crystal based on the excitation of Fano lattice surface modes in periodic arrays of magnetic and optically anisotropic nanoantennas. We show how coherent diffractive far-field coupling between elliptical nickel nanoantennas is governed by the two in-plane,…
Abstract The photoluminescence and scintillation properties of Cs2HfCl6 and Cs2ZrCl6 crystals were investigated. Two emission bands in the photoluminescence spectra were observed at 375 and 435 nm for the Cs2HfCl6 crystal and at 440 and 479 nm for the Cs2ZrCl6 crystal. Similar spectra were observed for radioluminescen…
N-terminal truncation and pyroglutamyl (pE) formation are naturally occurring chemical modifications of the Aβ peptide in Alzheimer's disease. We show herein that these two modifications significantly reduce the fibril length and the transition midpoint of thermal unfolding of the fibrils, but they do not substantiall…
We have performed ab initio investigation of some physical properties of the perovskite TlMnX3 (X = F, Cl) compounds using the full-potential linearized augmented plane wave (FP-LAPW) method. The generalized gradient approximation (GGA) is employed as exchange-correlation potential. The calculated lattice constant and…
The permeable reactive barrier (PRB) technique has attracted an increasing level of attention for the in situ remediation of contaminated groundwater. In this study, the macroscopic uptake behaviors and microscopic speciation of Eu(III) on hydroxyapatite (HAP) were investigated by a combination of theoretical modeling…
In this paper we introduce a fully flexible coarse-grained model of immunoglobulin G (IgG) antibodies parametrized directly on cryo-EM data and simulate the binding dynamics of many IgGs to antigens adsorbed on a surface at increasing densities. Moreover, we work out a theoretical model that allows to explain all the…
Here we report that phosphorylation status of S211 and T212 of the CESA3 component of Arabidopsis (Arabidopsis thaliana) cellulose synthase impacts the regulation of anisotropic cell expansion as well as cellulose synthesis and deposition and microtubule-dependent bidirectional mobility of CESA complexes. Mutation of…
The chemical nature of discharge products in nonaqueous Na–O 2 batteries attracts attention due to the differing electrochemical behavior of seemingly similar battery cells forming either sodium peroxide (Na 2 O 2 ) or sodium superoxide (NaO 2 ). The experimental control parameters for the exclusive formation of one o…
The one-step synthetic strategy for the preparation of the hitherto unknown calix[3]carbazole from readily available starting materials is described. Calix[3]carbazole is obtained in 20% yield, and it could selectively bind the N(C2H5)4(+) cation (tetraethylammonium, TEA) via cation-π interactions. The experimental an…