576 research outputs found
A comparison of HREM and weak beam transmission electron microscopy for the quantitative measurement of the thickness of ferroelectric domain walls
In this paper we present two methods for the quantitative measurement of the thickness of ferroelectric domain walls, one using high-resolution electron microscopy (HREM) and the other weak beam transmission electron microscopy (WBTEM). These techniques can be used to determine the thickness of domain walls at room temperature as well as close to the ferroelectric to paraelectric phase transition. The first method allows a direct visualization of the lattice distortion across the domain wall, by measuring the continuous deviation of a set of planes with respect to the undistorted lattice. The second method consists in a quantitative analysis of the thickness fringes that appear on weak beam images of inclined domain walls. By fitting simulated fringe profiles to experimental ones, we can extract the thickness of the domain walls in a quantitative way. These two complementary techniques lead to a complete characterization of the thickness of ferroelectric domain walls over a wide range of specimen thicknesses at different magnifications. As an example we apply these methods to ferroelectric domain walls in PbTiO3 The domain wall thickness at room temperature is found to be 1.5 ± 0.3 nm using HREM (in very thin samples≈10 nm) and 2.1 ± 0.7 nm using WBTEM (in samples thicker than 30 nm
Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism
The freezing behavior of gold nanoclusters was studied by employing molecular
dynamics simulations based on a semi-empirical embedded-atom method.
Investigations of the gold nanoclusters revealed that, just after freezing,
ordered nano-surfaces with a fivefold symmetry were formed with interior atoms
remaining in the disordered state. Further lowering of temperatures induced
nano-crystallization of the interior atoms that proceeded from the surface
towards the core region, finally leading to an icosahedral structure. These
dynamic processes explain why the icosahedral cluster structure is dominantly
formed in spite of its energetic metastability.Comment: 9 pages, 4 figures(including 14 eps-files
Neonatal high protein intake enhances neonatal growth without significant adverse renal effects in spontaneous IUGR piglets.
In humans, early high protein (HP) intake has been recommended to prevent postnatal growth restriction and complications of intrauterine growth restriction (IUGR). However, the impact of such a strategy on the kidneys remains unknown, while significant renal hypertrophy, proteinuria, and glomerular sclerosis have been demonstrated in few experimental studies. The objective of this study was to evaluate the effects of a neonatal HP formula on renal structure in IUGR piglets. Spontaneous IUGR piglets were randomly allocated to normal protein (NP, javax.xml.bind.JAXBElement@68d5845e = 10) formula or to HP formula (+50% protein content, javax.xml.bind.JAXBElement@3e768c15 = 10) up to day 28 after birth. Body weight, body composition, renal functions, and structure were assessed at the end of the neonatal period. While birth weights were similar, 28-day-old HP piglets were 18% heavier than NP piglets ( javax.xml.bind.JAXBElement@206b72ec < javax.xml.bind.JAXBElement@7f241a6d 0.01). Carcass protein content was 22% higher in HP than in NP offspring ( javax.xml.bind.JAXBElement@3b9786a3 < javax.xml.bind.JAXBElement@318ba3e0 0.01). Despite a HP intake, kidney weight and glomerular fibrosis were unaltered in HP piglets. Only a 20% increase in glomerular volume was noted in HP piglets ( javax.xml.bind.JAXBElement@4a0c5b2f < 0.05) and restricted to the inner cortical area nephrons ( javax.xml.bind.JAXBElement@1524c771 = javax.xml.bind.JAXBElement@1281f9e8 0.03). Plasma urea/creatinine ratio and proteinuria were unchanged in HP piglets. In conclusion, neonatal HP feeding in IUGR piglets significantly enhanced neonatal growth and tissue protein deposition but mildly affected glomerular volume. It can be speculated that a sustained tissue protein anabolism in response to HP intake have limited single nephron glomerular hyperfiltration
Premelting of Thin Wires
Recent work has raised considerable interest on the nature of thin metallic
wires. We have investigated the melting behavior of thin cylindrical Pb wires
with the axis along a (110) direction, using molecular dynamics and a
well-tested many-body potential. We find that---in analogy with cluster
melting---the melting temperature of a wire with radius is lower
than that of a bulk solid, , by . Surface melting
effects, with formation of a thin skin of highly diffusive atoms at the wire
surface, is observed. The diffusivity is lower where the wire surface has a
flat, local (111) orientation, and higher at (110) and (100) rounded areas. The
possible relevance to recent results on non-rupturing thin necks between an STM
tip and a warm surface is addressed.Comment: 10 pages, 4 postscript figures are appended, RevTeX, SISSA Ref.
131/94/CM/S
Melting Point and Lattice Parameter Shifts in Supported Metal Nanoclusters
The dependencies of the melting point and the lattice parameter of supported
metal nanoclusters as functions of clusters height are theoretically
investigated in the framework of the uniform approach. The vacancy mechanism
describing the melting point and the lattice parameter shifts in nanoclusters
with decrease of their size is proposed. It is shown that under the high vacuum
conditions (p<10^-7 torr) the essential role in clusters melting point and
lattice parameter shifts is played by the van der Waals forces of
cluster-substrate interation. The proposed model satisfactorily accounts for
the experimental data.Comment: 6 pages, 3 figures, 1 tabl
Diffusion of gold nanoclusters on graphite
We present a detailed molecular-dynamics study of the diffusion and
coalescence of large (249-atom) gold clusters on graphite surfaces. The
diffusivity of monoclusters is found to be comparable to that for single
adatoms. Likewise, and even more important, cluster dimers are also found to
diffuse at a rate which is comparable to that for adatoms and monoclusters. As
a consequence, large islands formed by cluster aggregation are also expected to
be mobile. Using kinetic Monte Carlo simulations, and assuming a proper scaling
law for the dependence on size of the diffusivity of large clusters, we find
that islands consisting of as many as 100 monoclusters should exhibit
significant mobility. This result has profound implications for the morphology
of cluster-assembled materials
A slip-based model for the size-dependent effective thermal conductivity of nanowires
The heat flux across a nanowire is computed based on the Guyer-Krumhansl
equation. Slip conditions with a slip length depending on both temperature and
nanowire radius are introduced at the outer boundary. An explicit expression
for the effective thermal conductivity is derived and compared to existing
models across a given temperature range, providing excellent agreement with
experimental data for Si nanowires
Spontaneous alloying in binary metal microclusters - A molecular dynamics study -
Microcanonical molecular dynamics study of the spontaneous alloying(SA),
which is a manifestation of fast atomic diffusion in a nano-sized metal
cluster, is done in terms of a simple two dimensional binary Morse model.
Important features observed by Yasuda and Mori are well reproduced in our
simulation. The temperature dependence and size dependence of the SA phenomena
are extensively explored by examining long time dynamics. The dominant role of
negative heat of solution in completing the SA is also discussed. We point out
that a presence of melting surface induces the diffusion of core atoms even if
they are solid-like. In other words, the {\it surface melting} at substantially
low temperature plays a key role in attaining the SA.Comment: 15 pages, 12 fgures, Submitted to Phys.Rev.
A stereoselective synthesis of a 3,4,5-substituted piperidine of interest as a selective muscarinic (M1) receptor agonist
Syntheses of (1RS,2SR,6SR)-2-alkoxymethyl-, 2-hetaryl-, and 2-(hetarylmethyl)-7-arylmethyl-4,7-diaza-9-oxabicyclo[4.3.0]nonan-8-ones, of interest as potential muscarinic M1 receptor agonists, are described. A key step in the synthesis of (1RS,2SR,6SR)-7-benzyl-6-cyclobutyl-2-methoxymethyl-4,7-diaza-9-oxabicyclo[4.3.0]nonan-8-one, was the addition of isopropenylmagnesium bromide to 2-benzyloxycarbonylamino-3-tert-butyldimethylsilyloxy-2-cyclobutylpropanal. This gave the 4-tert-butyldimethylsilyloxymethyl-4-cyclobutyl-5-isopropenyloxazolidinone with the 5-isopropenyl and 4-tert-butyldimethylsilyloxymethyl groups cis-disposed about the five-membered ring by chelation controlled addition and in situ cyclisation. This reaction was useful for a range of organometallic reagents. The hydroboration–oxidation of (4SR,5RS)-3-benzyl-4-(tert-butyldimethylsilyloxymethyl)-4-cyclobutyl-5-(1-methoxyprop-2-en-2-yl)-1,3-oxazolidin-2-one gave (4SR,5RS)-3-benzyl-4-(tert-butyldimethylsilyloxymethyl)-4-cyclobutyl-5-[(SR)-1-hydroxy-3-methoxyprop-2-yl]-1,3-oxazolidin-2-one stereoselectively. 4,7-Diaza-9-oxabicyclo[4.3.0]nonan-8-ones with substituents at C2 that could facilitate C2 deprotonation were unstable with respect to oxazolidinone ring-opening and this restricted both the synthetic approach and choice of 2-heteroaryl substituent. The bicyclic system with a 2-furyl substituent at C2 was therefore identified as an important target. The addition of 1-lithio-1-(2-furyl)ethene to 2-benzyloxycarbonylamino-3-tert-butyldimethylsilyloxy-2-cyclobutylpropanal gave (4SR,5RS)-4-tert-butyldimethylsilyloxymethyl-4-cyclobutyl-5-[1-(2-furyl)ethenyl]-1,3-oxazolidinone after chelation controlled addition and in situ cyclisation. Following oxazolidinone N-benzylation, hydroboration at 35 °C, since hydroboration at 0 °C was unexpectedly selective for the undesired isomer, followed by oxidation gave a mixture of side-chain epimeric alcohols that were separated after SEM-protection and selective desilylation. Conversion of the neopentylic alcohols into the corresponding primary amines by reductive amination, was followed by N-nosylation, removal of the SEM-groups and cyclisation using a Mitsunobu reaction. Denosylation then gave the 2-furyloxazolidinonyl-fused piperidines, the (1RS,2SR,6SR)-epimer showing an allosteric agonistic effect on M1 receptors. Further studies resulted in the synthesis of other 2-substituted 4,7-diaza-9-oxabicyclo[4.3.0]nonan-8-ones and an analogous tetrahydropyra
Combined scanning transmission X-ray and electron microscopy for the characterization of bacterial endospores
Endospores (also referred to as bacterial spores) are bacterial structures formed by several bacterial species of the phylum Firmicutes. Spores form as a response to environmental stress. These structures exhibit remarkable resistance to harsh environmental conditions such as exposure to heat, desiccation, and chemical oxidants. The spores include several layers of protein and peptidoglycan that surround a core harboring DNA as well as high concentrations of calcium and dipicolinic acid (DPA). A combination of scanning transmission X-ray microscopy, scanning transmission electron microscopy, and energy dispersive spectroscopy was used for the direct quantitative characterization of bacterial spores. The concentration and localization of DPA, Ca2+, and other elements were determined and compared for the core and cortex of spores from two distinct genera: Bacillus subtilis and Desulfotomaculum reducens. This micro-spectroscopic approach is uniquely suited for the direct study of individual bacterial spores, while classical molecular and biochemical methods access only bulk characteristics
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