Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
The kinetics of hydrogen abstraction by five radicals (H, O( 3 P ), OH, CH 3, and HO 2 ) from methyl acetate (MA) is investigated theoretically in order to gain further understanding of certain aspects of the combustion chemistry of biodiesels, such as the effect of the ester moiety. We employ ab initio quantum chemis…
We have investigated the magneto-optical response of Fe epitaxial films by femtosecond pump-probe polarimetry in a broad probe spectral region ($1.8\text{--}2.6$ eV). From the extrapolated photoinduced variation of the conductivity tensor, spin and charge dynamics have been disentangled. In particular, the analysis of…
Direct solar-to-hydrogen conversion via water splitting was demonstrated in an integrated photovoltaic–electrochemical (PV–EC) device using a hydrogenated amorphous silicon thin film tandem junction (a-Si:H/a-Si:H) solar cell as photocathode. The solar cell was adapted to provide sufficient photovoltage to drive both…
Reactions in water between the sodium salt of 4-carboxyphenylboronic acid (Hcpb) and lanthanide ions (Pr-Nd, Sm-Lu, and Y) led to a family of lanthanide-based coordination polymers with general chemical formula {[Ln(cpbOH)(H2O)2](cpb)}∞. Structural characterizations were ensured by single-crystal X-ray diffraction and…
Abstract Widespread detections of phyllosilicates in Noachian terrains on Mars imply a history of near‐surface fluid‐rock interaction. Ferrous trioctahedral smectites are thermodynamically predicted products of basalt weathering on early Mars, but to date only Fe3+‐bearing dioctahedral smectites have been identified f…
A microscopic formalism to calculate thermal transport coefficients is presented based on a thermal vector potential, whose time derivative is related to a thermal force. The formalism is free from the unphysical divergences reported to arise when Luttinger's formalism is applied naively, because the equilibrium ("dia…
The $\ensuremath{\alpha}\text{-Fe}\ensuremath{\leftrightarrow}\ensuremath{\epsilon}\text{-Fe}$ pressure-induced transformation under pure hydrostatic static compression has been characterized with in situ x-ray diffraction using $\ensuremath{\alpha}\text{-Fe}$ single crystals as starting samples. The forward transitio…
Supramolecular protein assemblies offer novel nanoscale architectures with molecular precision and unparalleled functional diversity. A key challenge, however, is to create precise nano-assemblies of functional proteins with both defined structures and a controlled number of protein-building blocks. Here we report a s…
The ability to design the control of heat flow has innumerable benefits in the design of electronic systems such as thermoelectric energy harvesters, solid-state lighting, and thermal imagers, where the thermal design plays a key role in performance and device reliability. In this work, we employ one identical sensu-u…
BACKGROUND: It is now recognized that enzymatic or chemical side-reactions can convert normal metabolites to useless or toxic ones and that a suite of enzymes exists to mitigate such metabolite damage. Examples are the reactive imine/enamine intermediates produced by threonine dehydratase, which damage the pyridoxal 5…
Structural characterization of new α/γ-peptide foldamers containing the cyclically constrained γ-amino acid I is described. Crystallographic and 2D NMR analysis shows that γ residue I promotes the formation of a 12/10-helical secondary structure in α/γ-peptides. This helix contains two different types of internal H-bo…
This work investigates the effects of molecular size on the accuracy of density-functional ionization potentials for a set of 28 hydrocarbons, including series of alkanes, alkenes, and oligoacenes. As the system size increases, delocalization error introduces a systematic underestimation of the ionization potential, w…
Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice nucleation exists, which coincides with that found previously for a face centered…
Two new coordination compounds with tetracopper(II) cores, namely, a 1D coordination polymer, [Cu4(μ4-H2edte)(μ5-H2edte)(sal)2]n·10nH2O (1), and a discrete 0D tetramer, [Cu4(μ4-Hedte)2(Hpmal)2(H2O)]·7.5H2O (2), were easily self-assembled from aqueous solutions of copper(II) nitrate, N,N,N',N'-tetrakis(2-hydroxyethyl)e…
A need to understand the excited-state behavior of organic-inorganic hybrid perovskites, such as CH3NH3PbI3, has arisen due to the rapid development of perovskite solar cells. The photoinduced processes leading to the efficient charge separation observed in these materials remain somewhat elusive. This Perspective pre…
The increased application of graphene raises concerns about its environmental impact, but little information is available on the effect of graphene on the soil microbial community. This study evaluated the impact of graphene on the structure, abundance and function of the soil bacterial community based on quantitative…
The increasing use of nanoparticles in products likely results in increased exposure of both workers and consumers. Because of their small size, there are concerns that nanoparticles unintentionally cross the barriers of the human body. Several in vivo rodent studies show that, dependent on the exposure route, time, a…
5-Aminolevulinic acid (5-ALA) is a precursor of a strong photosensitizer, protoporphyrin IX (PphIX), for photodynamic therapy (PDT). Developing appropriate delivery carriers that can assist 5-ALA in bypassing the lipophilic barrier to directly enter into cancer cells is a research focus. The improved delivery of 5-ALA…
Photodynamic therapy (PDT) for deep-seated tumor is largely impeded by the limited penetration depth of excitation light in tissue. X-ray is considered as an ideal energy source to activate photosensitizers (PSs) located deep within the body with the assistance of scintillating nanoparticles (ScNPs). However, the effi…
Metal ion interactions with DNA have far-reaching implications in biochemistry and DNA nanotechnology. Ag(+) is uniquely interesting because it binds exclusively to the bases rather than the backbone of DNA, without the toxicity of Hg(2+). In contrast to prior studies of Ag(+) incorporation into double-stranded DNA, w…