Gas diffusion in a pulmonary acinus model: experiments with hyperpolarized helium-3

Diffusion of hyperpolarized helium-3 in epoxy phantoms was experimentally studied by pulsed-gradient nuclear magnetic resonance (NMR). One phantom with a dichotomic branching structure densely filling a cubic volume was built using the Kitaoka algorithm to model a healthy human acinus. Two other phantoms, one with a different size and the other one with a partial destruction of the branched structure, were built to simulate changes occurring at the early stages of emphysema. Gas pressure and composition (mixture with nitrogen) were varied, thus exploring different diffusion regimes. Preliminary measurements in a cylindrical glass cell allowed us to calibrate the gradient intensity with 1% accuracy. Measurements of NMR signal attenuation due to gas diffusion were compared to a classical Gaussian model and to Monte Carlo simulations. In the slow diffusion regime, the Gaussian model was in reasonable agreement with experiments for low gradient intensity, but there was a significant systematic deviation at larger gradient intensity. An apparent diffusion coefficient Dapp was deduced, and in agreement with previous findings, a linear decrease of Dapp/D0 with D0(1/2) was observed, where D0 is the free diffusion coefficient. In the regime of intermediate diffusion, experimental data could be described by the Gaussian model for very small gradient intensities only. The corresponding Dapp/D0 values seemed to reach a constant value. Monte Carlo simulations were generally in fair agreement with the measurements in both regimes. Our results suggest that, for diffusion times typical of medical magnetic resonance imaging, an increase in alveolar size has more impact on signal attenuation than a partial destruction of the branched structure at equivalent surface-to-volume ratio.     

一般边界条件下球形压力容器钢壁中氚和氦-3的浓度变化规律研究

为了认识储氚高压容器壁材料的力学性能变化及其导致的容器承载能力变化, 必须研究储氚期间, 容器壁中氚和氦-3浓度的空间分布和随时间的变化. 针对容器外表面为一般传质边界条件和容器内部氚为范德瓦尔斯气体的情况, 同时考虑容器腔内和容器壁中氚的衰变和扩散, 建立求解储氚高压容器壁中氚和氦-3浓度的解析理论模型, 导出了氚和氦-3浓度的理论公式. 通过解析计算给出了器壁中氚和氦-3浓度随外表面传质系数的变化曲线和浓度的时空变化曲线, 提出了氦-3浓度的2β ₁ + β ₂ / 2倍定律, 即处于开放空间的储氚球形高压容器, 器壁中氦-3的浓度呈内高外低的分布, 时间越长, 浓度沿径向的梯度越大, 在时间足够长时, 各处浓度逼近时间无限长时的最终值, 也就是各处的最大值, 内表面处的最大值是该处氚初始时刻浓度的2β ₁ + β ₂ / 2倍, 这里β ₁ 和β ₂ 为与氚的范德瓦尔斯常数相关的参数. 研究结果为储氚高压容器的强度安全性评估提供了前提.     

Ground state of liquid helium 3: Momentum space calculations of the two body energy

The reaction matrix elements needed to study the ground state properties of normal liquid Helium 3 are obtained by a matrix inversion method in momentum space within the Brueckner-Goldstone formalism. Fully self-consistent calculations of the hole-line potential and the two-body interaction energies are performed with self-consistent occupation probabilities for Frost-Musulin potential.     

From sum rules to RPA: 2. 3He droplets

We investigate the excitation spectra of closed-shell ³He droplets using a flexible formulation of the RPA which has been presented in preceeding papers. The calculations are based on an energy functional which thorougly employs finite-range interactions. We compare the results for different stages in a hierarchy of approximations to the full RPA. We furthermore discuss the consequences of taking the zero-range limit of the present energy functional, i.e. of using Skyrme-type interactions.     

Generalized lattice model of liquid state and its relation to Ginzburg–Landau theory

Basic principles of the generalized lattice model of multicomponent condensed systems are formulated. Short-range parts of interatomic interactions are taken into account by means of the geometric constraints method. Long-range parts of the interactions are taken into account in mean field approximation. The expression for Helmholtz free energy is obtained. A system of integral equations for the equilibrium distributions of components is derived. The asymptotic properties of its solutions are investigated. Moment expansion of interatomic interactions and localization of integral terms in free energy is obtained. A Ginzburg–Landau-like functional of free energy is derived.     

Interionic pair potentials and partial structure factors of compound-forming quaternary NaSn liquid alloy: First principle approach

In this paper formulae for partial structure factors have been used to study partial structure factors of compound-forming quaternary liquid alloys by considering Hoshino’s m-component hard-sphere mixture, which is based on Percus-Yevic equation of Hiroike. Formulae are applied to NaSn (Na, Sn, NaSn, Na₃Sn) which is considered as a quaternary liquid mixture with the formation of two compounds simultaneously. We have compared the total structure factors for ternary and quaternary alloys with experimental total structure factors which are found to be in good agreement. This suggests that, for suitable stoichiometric composition, two compounds are formed simultaneously. The hard-sphere diameters needed have been calculated using Troullier and Martins ab-initio pseudopotentials.      

Cloud 3D effects on broadband heating rate profiles: I. Model simulation

Solar broadband heating directly drives the atmospheric and ocean circulations, and is largely determined by cloud spatial 3-diminesional (3D) structures. To study the cloud 3D effects on radiation, a 3D broadband Monte-Carlo radiative transfer model, along with an Independent Pixel/Column Approximation (IPA) method, is used to simulate radiation and heating rate of three typical cloud fields generated by cloud resolving models (CRM). A quantitative and statistical estimation of cloud 3D effects has been developed to investigate the impact of cloud 3D structures on both heating rate strength, STD_Bias, and vertical distribution, CorrCoef. The cloud 3D structures affect some clouds more in heating rate strength and others more in vertical distribution. It is crucial to use the combination of CorrCoef and STD_Bias for better quantitative evaluation of the 3D effects. Furthermore, there is no simple way to define a critical resolution (or average radius), within which the IPA heating rate profiles closely represent the true 3D heating rate profiles. The critical radius (or resolution) strongly depends on solar incident angle as well as cloud vertical distribution. Also, the critical radii for clear-sky columns are larger than for cloudy columns, although the corresponding STD_Bias for clear-sky columns are smaller than for cloudy columns. Analysis based on two different statistical average methods illustrates that the cloud 3D effects due to the dimensionality difference between the 3D clouds (circle average) and 2D clouds (line average) significantly impact on the heating rate profiles.     

In situ low-angle cross sectioning: Bevel slope flattening due to self-alignment effects

Low-angle cross sections are produced inside an Auger microprobe using the equipped depth profile ion sputter gun. Simply the sample is partly covered by a mask. Utilizing the edge of this mask the sample is sputtered with ions. Due to the shading of the mask a cross section is produced in the sample. The slope of this cross section is considerably shallower than given by the geometrical setup. This is attributed to self-alignment effects, which are due to missing sputter cascades in the transition area between sputtered and shaded sample regions and a chamfering of the mask edge.These self-alignment effects are studied here using a 104.6 nm thick SiO₂ layer thermally grown on a Si substrate. In this study on one hand for a fixed ion impact angle of 15.8° as function of the sputter time several in situ low-angle cross sections were produced. This way slope angles between an ultimate low slope angle of 0.014° and 0.085° were achieved. On the other hand for a fixed sputter time the ion impact angle was varied between 14.8° and 70.8°. For these samples cross section slope angles between 0.031° and 0.32° are observed. These results demonstrate the distinct slope flatting of in situ cross sectioning.     

Study of fast switching processes due to electric and magnetic fields-an NMR approach

Solid state NMR techniques have been developed to investigate dynamic molecular effects (e.g., molecular reorientations) due to simultaneously applied external electric fields on electrically sensitive materials such as liquid crystals (LC), liquid crystalline polymers (LCP) and polymeric electrets. Such effects can be observed only on relatively thin systems (10-200 μm). That means that many scans are necessary to achieve a sufficiently high signal-to-noise-ratio in the spectra (500-1000 scans). If the material is also magnetically sensitive, the electric field can be used to orient molecules in a starting orientational state and by switching-off the voltage to access fast reorientation processes in the magnetic field B₀. Until now, the behaviour of orientable molecular systems under the influence of electric fields has been investigated by means of a more or less quasistatic approach (LCP: 100 V, electrets: 1 kV) in equilibrium states. The achievable time resolution depends on the desired signal-to-noise-ratio. For the case of proton NMR this means a time resolution of about 10 min. However, very often switching processes occur on a much shorter time scale. Using conventional techniques it is impossible to observe fast (ca. 100 μs) electrically or magnetically induced reorientation processes. In this work, we present a concept to overcome the problems outlined above and to extend the area of our current in situ NMR investigations on thin electrically-switched or poled polymeric layers. The basic idea is to include synchronized electric pulses during the NMR experiment using the preparation and/or mixing periods of a 1D or 2D pulse sequence for the application of an orienting field (electric or magnetic) and to use the reversibility of the molecular switching phenomenon to achieve a sufficient signal-to-noise-ratio. The techniques extend the range of possible investigations from about 100 μs to approximately T₁ for correlated spectra (and to longer times of applied fields for uncorrelated spectra). Results are shown for a nematic LC and a nematic polymer having a similar side chain.     

Tracking the effects of rigidity percolation down to the liquid state: relaxational dynamics of binary chalcogen melts

The stochastic dynamics of binary liquids with formula AxB1-x, x=0-0.4 is investigated by neutron spin-echo spectroscopy. These compositions comprise samples of varying chemical connectivity, ranging from twofold-coordinated liquid Se to higher average coordinated As2S3. The parameters giving the temperature dependence of the relaxation patterns show a quasilinear dependence on the average coordination number. The results thus extend the validity of the rigidity concept into the normal liquid state and emphasize the role played by the fine details of atomic bonding on the dynamics at 10 ps-1 ns scales.     

Effects of cholesterol and azelaic acid in lecithin liposomes exposed to ELF fields: A thermodynamic and structural study

Summary In the present work some thermodynamic and structural aspects of electric-, magnetic- and electromagnetic-field interaction at 50 Hz with lecithin liposomes mixed with azelaic acid or cholesterol have been investigated by using differential scanning calorimetry and X-ray diffraction. Calorimetric scans and X-ray diffraction patterns show that no significant modifications of the two mixtures occur, except a little increase of the freezing temperature of the free water after exposure to electromagnetic field.     

Isotope effects in the enzymatic oxidation of tryptamine to 3-indolyl-acetaldehyde

The reaction mechanisms of the enzymatic deamination of tryptamine catalysed by the enzyme monoamine oxidase (MAO, EC 1.4.3.4) were investigated using the kinetic isotope effect and solvent isotope effect methods. The numerical values of these deuterium effects in the (1S) and (1R) positions of tryptamine were determined using the non-competitive spectrophotometry. The deuterium-labelled isotopologue [(1S)-²H]tryptamine was obtained in two steps by enzymatic coupling of indole with S-methyl-l-cysteine in a deuterated medium followed by enzymatic decarboxylation of the resulting [2-²H]-l-tryptophan. [(1R)-²H]tryptamine was obtained by enzymatic decarboxylation of l-tryptophan in the fully deuterated medium.     

Diffusion-weighted echo-planar imaging of the head and neck using 3-T MRI: Investigation into the usefulness of liquid perfluorocarbon pads and choice of optimal fat suppression method

Purpose

To investigate whether image quality can be improved using liquid perfluorocarbon pads (Sat Pad) and clarify the optimal fat-suppression method among chemical shift selective (CHESS), water excitation (WEX), and short TI inversion recovery (STIR) methods in diffusion-weighted imaging (DWI) of the head and neck using 3-T magnetic resonance imaging. Correlations between results of visual inspection and quantitative analysis were also examined.

Material and Methods

This study was approved by our Institutional Review Board and informed consent was waived. DWI was performed on 25 subjects with/without Sat Pad and using three fat-suppression methods (6 patterns). Image quality was evaluated visually (4-point scales and lesion-depiction capability) and by quantitative analysis (signal-to-noise ratio (SNR) and contrast-to-noise ratio (CNR)). Two-way repeated-measures analysis of variance (ANOVA) was used to detect significant differences in scores of visual evaluation, SNR, and CNR.

Results

Mean visual evaluation scores were significantly higher with Sat Pad using STIR than without Sat Pad for all fat-suppression methods (P < 0.05). DWI with Sat Pad using STIR tended to be useful for depicting lesions. DWI using STIR showed reduced W-SNR (W: whole area of depicted structure) and CNR (between semispinalis capitis muscle and subcutaneous fat) due to fewer artifacts and uniform fat suppression.

Conclusion

Combining Sat Pad with STIR provides good image quality for visual inspections. When numerous artifacts are present and fat suppression is insufficient, higher SNR and CNR do not always provide good diagnostic image quality.     

Ground state rotational spectrum of nitrogen trifluoride: The K = 3 splittings of NF3 and NF3

The ground state rotational spectrum of the ¹⁴NF₃ and ¹⁵NF₃ isotopic species of nitrogen fluoride has been observed in the ∼450-810 GHz frequency range. This investigation allowed us to improve the rotational parameters for both isotopologues. In particular, for the first time the K = 3 line splitting parameter and the sextic centrifugal distortion constants have been determined for ¹⁵NF₃.     

Ground state parameters of BiH3 from infrared and millimeter-wave spectra: ground state and equilibrium structures

Unstable, short-lived BiH₃ has been synthesized and investigated by rotational spectroscopy in the range 158 (J=1-0) to 1280 GHz (J=8-7). Quadrupole and spin-rotation hyperfine structures (eQq=584.676(96) MHz), and the A₁A₂ splitting of the K=3 ground state level, have been resolved. By merging the pure rotational data with 1764 ground state combination differences obtained from the analysis of high resolution Fourier transform infrared spectra of the ν₁-ν₄ bands [J. Mol. Spectrosc. (2004) (in press)] spanning J and K values up to 16 and 14, respectively, with 0?ΔK?9, the ground state rotational and centrifugal distortion constants up to octic and sextic terms for reductions A and B, respectively, have been determined. Of the reductions of the ground state rovibrational Hamiltonian, reduction B including ε rather than h₃ as off-diagonal element is clearly favored. An experimental r₀ structure of the very-near spherical oblate symmetric top BiH₃, r(BiH)=178.82 pm and α(HBiH)=90.320°, has been deduced from the rotational constants B₀=2.64160172(18) and C₀=2.6010403(31) cm⁻¹. The derived experimental r_e structure, r_e(BiH)=177.834(50) pm and α_e(HBiH)=90.321(10)°, was determined. This is in excellent agreement with the most recent ab initio structure, r_e(BiH)=177.84 pm, and α_e(HBiH)=90.12°.     

Altered state of primordial follicles in neonatal and early infantile rats due to maternal hypothyroidism: Light and electron microscopy approach

Thyroid hormones (TH) are one of the key factors for normal prenatal development in mammals. Previously, we showed that subclinical maternal hypothyroidism leads to premature atresia of ovarian follicles in female rat offspring in the pre-pubertal and pubertal periods. The influence of decreased concentration of TH on primordial follicles pool formation during neonatal and early infantile period of rat pups was not investigated previously. Maternal hypothyroidism during pregnancy has irreversible negative influence on primordial follicles pool formation and population of resting oocytes in female rat offspring. The study was done on neonatal and early infantile control (n-10) and hypothyroid (n-10) female rat pups derived from control (n-6) and propylthiouracil (PTU) treated pregnant dams (n-6), respectively. Ovaries of all pups were removed and processed for light and transmission electron microscopy (TEM). Number of nests, oogonia and oocytes per nest, primordial, primary, secondary and preantral follicles were determined. Screening for overall calcium presence in ovarian tissue was done using Alizarin red staining. Morphology and volume density of nucleus, mitochondria and smooth endoplasmic reticulum (sER) in the oocytes in primordial follicles was also assessed. Caspase-3 and terminal deoxynucleotidyl transferase dUTP nick end labelling (TUNEL), both markers for apoptosis, and proliferating cell nuclear antigen (PCNA) for proliferation were determined in oocytes and granulosa cells in different type of follicles. In neonatal period, ovaries of hypothyroid pups had a decreased number of oogonia, oocytes and nests, an increased number of primordial follicles and a decreased number of primary and secondary follicles, while in early infantile period, increased number of primary, secondary and preantral follicles were found. Alizarin red staining was intense in hypothyroid neonatal rats that also had the highest content of dilated sER. Number of mitochondria with altered morphology in both groups of hypothyroid pups was increased. Apoptosis markers have not shown significant difference between groups but PCNA had an increased expression in the oocytes and granulosa cells in primordial follicles of hypothyroid rats. Light and electron microscopy analysis indicate that previously detected premature ovarian follicular atresia in pre-pubertal and pubertal hypothyroid rats is preceded with premature formation of primordial follicles followed by slight changes on sER and mitochondria in examined oocytes, and increased expression of PCNA.     

Bone matrix like assemblies of collagen: from liquid crystals to gels and biomimetic materials

Skeletal tissues associate in close interaction, a dense organic matrix and a mineral network. In bone, the major structural protein is type I collagen, associated with inorganic crystals of hydroxyapatite. The three-dimensional arrangement of collagen fibrils in compact bone forms regularly ordered networks and a parallel was evidenced between these structures and molecular assemblies described in liquid crystals. Similar structures are now obtained in vitro. Indeed, when purified type I collagen is highly concentrated in an acid soluble state, the protein spontaneously assembles into ordered liquid crystalline phases. After a sol/gel transition triggered by pH increase, biomimetic materials are formed which resemble the exact compact bone matrix architecture over distances reaching centimetres and more. The properties of these highly ordered materials will be reviewed recalling their supramolecular arrangement and the corresponding patterns when visualised in polarised light microscopy (birefringence) and transmission electron microscopy (TEM). The association of inorganic phases (amorphous silica) to form chiral hybrid materials will also be described so as the behaviour of cells (fibroblast adhesion and migration) when seeded on these dense biomimetic matrices.     

冲击压缩下蓝宝石光学性质的晶向效应

本文基于第一性原理计算方法,研究了a向、c向和r向蓝宝石理想晶体和含氧离子空位点缺陷晶体在0-180 GPa冲击压力范围内的光学性质.波长在1550 nm处理想晶体的折射率数据表明,在蓝宝石Corundum、Rh2O3以及CalrO_3相区,其折射率分别表现出强、弱以及强的晶向效应.波长在0-250 nm范围内理想晶体的能量损失谱结果指明,在Corundum和Rh_2O_3结构相区,其晶向效应不明显;在CalrO_3结构相,主峰附近的波段范围内,蓝宝石的能量损失谱有一定的晶向效应:c和r向的主峰强度基本相同,但a向主峰强度明显高于c和r向主峰强度.缺陷晶体数据表明:氧离子空位点缺陷对蓝宝石折射率和能量损失谱晶向效应的影响较微弱.