All-optical measurement of high-harmonic amplitudes and phases in aligned molecules

We report a new all-optical approach to measuring the phase and amplitude of high-harmonic emission from aligned molecules. We combine the transient grating technique with a continuous rotation of the molecular alignment axis and develop an analytical model that enables the simultaneous determination of phases and amplitudes. Measurements in N(2) molecules are shown to be in qualitative agreement with the results of ab initio quantum scattering calculations.     

Magnetization transfer via residual dipolar couplings: application to proton-proton correlations in partially aligned proteins

A novel three-dimensional NMR experiment is reported that allows the observation of correlations between amide and other protons via residual dipolar couplings in partially oriented proteins. The experiment is designed to permit quantitative measurement of the magnitude of proton-proton residual dipolar couplings in larger molecules and at higher degree of alignments. The observed couplings contain data valuable for protein resonance assignment, local protein structure refinement, and determination of low-resolution protein folds.     

Accurate measurement of one-bond H-X heteronuclear dipolar couplings in MAS solid-state NMR

The accurate experimental determination of dipolar-coupling constants for one-bond heteronuclear dipolar couplings in solids is a key for the quantification of the amplitudes of motional processes. Averaging of the dipolar coupling reports on motions on time scales up to the inverse of the coupling constant, in our case tens of microseconds. Combining dipolar-coupling derived order parameters that characterize the amplitudes of the motion with relaxation data leads to a more precise characterization of the dynamical parameters and helps to disentangle the amplitudes and the time scales of the motional processes, which impact relaxation rates in a highly correlated way. Here. we describe and characterize an improved experimental protocol--based on REDOR--to measure these couplings in perdeuterated proteins with a reduced sensitivity to experimental missettings. Because such effects are presently the dominant source of systematic errors in experimental dipolar-coupling measurements, these compensated experiments should help to significantly improve the precision of such data. A detailed comparison with other commonly used pulse sequences (T-MREV, phase-inverted CP, R18(2)(5), and R18(1)(7)) is provided.     

Optical gain in photoconductors made of compensated and partially compensated GaAs

The dc gain behaviour of GaAs photoconductors realized utilizing a partially compensated buffer layer of an epitaxial MESFET structure as well as a Cr-doped semiinsulating substrate is studied. The light-power dependence of the gain hints to the dominant role of the bimolecular recombination process and trapmediated gain, and only a minor role of the surface photovoltaic effect. The possible correlation between dark current and gain mechanism in the MESFET-like device is pointed out.     

Protein backbone dynamics from N-HN dipolar couplings in partially aligned systems: a comparison of motional models in the presence of structural noise

Residual dipolar couplings (RDCs) provide excellent probes for the exploration of dynamics in biomolecules on biologically relevant time-scales. Applying geometric motional models in combination with high-resolution structures to fit experimental RDCs allows the extraction of local dynamic amplitudes of peptide planes in proteins using only a limited number of data points. Here we compare the behaviour of three simple and intuitive dynamic modes: the Gaussian axial fluctuation model (1D-GAF), the two-site jump model, and a model supposing axially symmetric motion about a mean orientation. The requirement of a structural model makes this kind of methodology potentially very sensitive to structural imprecision. Numerical simulations of RDC dynamic averaging under different regimes show that the anisotropic motional models are more geometrically stringent than the axially symmetric model making it more difficult to alias structural noise as artificial dynamic amplitudes. Indeed, it appears that the model extracts accurate motional amplitudes even in the presence of significant structural error. We also show that a two-site jump model, also assuming the (alpha)C(i-1)-(alpha)C(i) as rotation axis, can only be distinguished from the previously developed GAF model beyond amplitude/jumps of around 40 degrees. The importance of appropriate estimation of the molecular alignment tensor for determination of local motional amplitudes is also illustrated here. We demonstrate a systematic scaling of extracted dynamic amplitudes if a static structure is assumed when determining the alignment tensor from dynamically averaged RDCs. As an example an artificial increase of 0.14 (0.85 compared to the expected 0.71) is observed in the extracted S2 if a pervasive 20 degrees GAF motion is present that is ignored in the tensor determination. Finally we apply a combined approach using the most appropriate motional model, to complete the analysis of dynamic motions from protein G.     

Measurement of dipolar couplings in partially oriented molecules by local field NMR spectroscopy with low-power decoupling

Low-power phase-modulated Lee–Goldburg homonuclear decoupling was used to record PDLF spectra of fluorine-substituted benzene derivatives dissolved in nematic thermotropic liquid crystalline solvents. The low-power decoupling minimizes sample heating during RF irradiation while still achieving highly resolved PDLF spectra. The method is illustrated by recording spectra for 1,3-dichloro-4-fluoro-5-nitrobenzene, 1,3-dichloro-4-fluorobenzene, and 1,2-difluorobenzene dissolved in different nematic solvents.     

Valence bond variational calculations of the proton spin-spin couplings in ethylene

Cis and trans proton coupling constants in ethylene have been calculated using the variational procedure and valence bond formalism. The problem is treated as an eight-electron eight-orbital one, with six orbitals belonging to the σ framework and two to the π. σ-π exchange is implicitly included.     

Accurate measurement of H(N)-H(alpha) residual dipolar couplings in proteins.

A method for accurately measuring H(N)-H(alpha) residual dipolar couplings is described. Using this technique, both the sign and magnitude of the coupling can be determined easily. Residual dipolar coupling between H(N)(i)-H(alpha)(i) and H(N)(i)-H(alpha)(i-1) were measured for the FK506 binding protein complexed to FK506. The experimental values were in excellent agreement with predictions based on an X-ray crystal structure of the protein/ligand complex, suggesting that these residual dipolar couplings will provide accurate structural constraints for the refinement of protein structures determined by NMR.     

Target tracking in infrared imagery using a novel particle filter

To address two challenging problems in infrared target tracking, target appearance changes and unpre- dictable abrupt motions, a novel particle filtering based tracking algorithm is introduced. In this method, a novel saliency model is proposed to distinguish the salient target from background, and the eigenspace model is invoked to adapt target appearance changes. To account for the abrupt motions efficiently, a two- step sampling method is proposed to combine the two observation models. The proposed tracking method is demonstrated through two real infrared image sequences, which include the changes of luminance and size, and the drastic abrupt motions of the target.     

Separation of cross-relaxation and exchange in two-site spin systems with weak spin-spin couplings

A ratio relating the cross-relaxation rates, rate constants, and cross-peak and diagonal peak integrals is used for the analysis of exchanging two-site spin systems with weak scalar spin-spin couplings to extract the rate constants and cross-relaxation rates contributing to the same cross-peaks in two-dimensional nuclear Overhauser enhancement spectra (2-D NOESY). The method to separate contributions from cross-relaxation and chemical exchange into the cross-peaks in NOESY spectra was applied to investigate the intramolecular dynamics of trisulfide 4H, 8H-naphtho[1,8-ef]1,2,3-trithiocine in solutions.     

滤光辐射计测量黑体的温度

介绍了黑体温度测量的溯源途径及方法，分析了探测器绝对光谱响应、透镜透过率及面积效应等对黑体温度测量的影响，试验测量结果表明黑体温度可以通过标准探测器进行量值传递并溯源。与传统溯源方法相比，利用标准探测器进行量值传递测量精度可提升一个数量级，达到0.8%的水平。     

Effective spin-spin interactions and singlet-triplet transition intensities in a class of open-shell diatomic molecules

Ab initio calculations of the effective spin-spin parameter λ, and of electric dipole intensities for the forbidden ¹Σ⁺-³Σ^- transition, are reported for NH, NF, PH, PF, NCl and SO, and values of λ alone are calculated for O₂ and S₂. In general the values of λ agree to within 10 per cent with the experimental values, and the calculations enable the apparently irregular variation of λ within this class of molecules to be explained. The effect on λ of several approximations has been investigated, and it is found that the simplest model considered gives reasonable agreement with experiment, as others have found in comparable cases. This model employs single configuration wavefunctions in which the ³Σ^- orbitals are used to represent the isoconfigurational ¹Σ⁺ state; only the interaction with this one ¹Σ⁺ state is included, and only one-centre spin-orbit integrals are retained. Values of λ were calculated at three internuclear separations bracketing the experimental equilibrium separation, so that the vibrational and rotational dependence of λ could be studied. The agreement of the calculated transition intensities with experiment is surprisingly good. Although the level of approximation of the calculation makes it necessary to treat these theoretical transition moments with caution, they suggest that the ¹Σ⁺-³Σ^- transition in PH, hitherto unobserved, should be at least as strong as the corresponding known transition in NH.     

Accurate measurement of ultralow loss in a high-finesse Fabry-Perot interferometer using the frequency response functions

We describe the accurate measurement of ultralow loss in a high-finesse Fabry-Perot interferometer using a diode-pumped Nd:YAG laser locked to the longitudinal mode with an active frequency-stabilization technique. By measuring the resonance full width and the free spectral range with the frequency response functions, and by measuring the transmission efficiency on resonance, the finesse and the loss at 1064 nm are accurately measured to be 78100 ± 1200 (reflectance of 99.99598 ± 0.00006%) and 1 5.9 ±2.0 × 10^–6 (15.9 ± 2.0 ppm), respectively.     

Accurate determination of small one-bond heteronuclear residual dipolar couplings by F1 coupled HSQC modified with a G-BIRD(r) module

We report a G-BIRD(r) modified coupled HSQC experiment for the accurate determination of one-bond heteronuclear residual dipolar couplings. The G-BIRD(r) module has been employed to refocus the long-range coupling evolution of the heteronucleus during the t1 frequency labeling period. As a result, the crosspeaks obtained are split by only the direct one-bond coupling that can be extracted by measuring simple frequency differences between singlet maxima. Additionally the decoupling of long-range multiple bond splittings leads to considerable sensitivity enhancement. The modification also has been applied in a TROSY sequence resulting in a significant sensitivity and resolution improvement.     

Accurate measurement of composite laminates deflection using digital speckle pattern interferometry

The modern digital speckle pattern interferometry (DSPI) technique is applied for the accurate measurement of the full-field deflection distribution of a bent composite laminates. Two kinds of powerful phase-shifting methods, phase of differences method (PDM) and difference of phases method (DPM), are described briefly and employed in DSPI to quantitatively extract the phase information, respectively. A comparison of the deflection distributions measured by DPM and PDM indicates that the former has a better measurement accuracy than the latter in laminate's static test experiment.     

基于Mueller矩阵椭偏仪的纳米压印模板与光刻胶光栅结构准确测量

在纳米压印工艺中,对模板和压印结构的几何参数进行快速、低成本、非破坏性地准确测量具有非常重要的意义.与传统光谱椭偏仪只能改变波长和入射角2个测量条件并且在每一组测量条件下只能获得振幅比和相位差2个测量参数相比,Mueller矩阵椭偏仪可以改变波长、入射角和方位角3个测量条件,而且在每一组测量条件下都可以获得一个4×4阶Mueller矩阵共16个参数,因此可以获得更为丰富的测量信息.通过选择合适的测量条件配置,充分利用Mueller矩阵中的测量信息,有望实现更为准确的纳米结构测量.基于此,本文利用自主研制的Mueller矩阵椭偏仪对硅基光栅模板和纳米压印光刻胶光栅结构进行了测量.实验结果表明,通过对Mueller矩阵椭偏仪进行测量条件优化配置,并且在光学特性建模时考虑测量过程中出现的退偏效应,可以实现压印工艺中纳米结构线宽、线高、侧壁角以及残胶厚度等几何参数更为准确的测量,同时对于纳米压印光刻胶光栅结构还可以直接得到光斑照射区域内残胶厚度的不均匀性参数.