Theoretical characterization of the gas-phase O(3)HO hydrogen-bonded complex.

We report a theoretical study on two gas-phase hydrogen-bonded complexes formed between ozone and hydroxyl radical that have relevance to atmospheric chemistry. This study was carried out by using CASSCF, CASPT2, QCISD, and CCSD(T) theoretical approaches in conjunction with the 6-311+G(2df,2p) and aug-cc-pVTZ basis sets. Both complexes have a planar structure and differ from each other in the orientation of the electronic density of the unpaired electron associated with the HO radical moiety. Our calculations predict their stabilities to be 0.87 and 0.67 kcal mol(-1), respectively, at 0 K and show the importance of anharmonic effects in computing the red shift of the HO stretch originating from the hydrogen-bonding interaction. We also report two transition states involving the movement of the HO moiety on the potential energy surfaces of these hydrogen-bonded complexes.     

大气光通信中大气闪烁时间平滑效应研究

利用大气闪烁的时间平滑效应,增加光电探测器曝光时间是克服大气闪烁对大气光通信的瞄准、捕获、跟踪链路影响的有效途径之一.基于科尔莫戈罗夫谱,导出了弱湍流起伏区无限平面波和球面波的大气闪烁时间平滑因子的一般表达式,并且用几何光学近似得到了在大孔径和小孔径接收情况下的时间平滑因子近似表达式.在孔径远大于菲涅耳区尺度时,平面波和球面波的时间平滑因子的近似表达式与精确表达式的误差分别小于6%和3%.分析结果表明,孔径越小,时间平滑效应越显著,并且菲涅耳区尺度对时间平滑效应影响的程度也随着孔径的增加而减弱.     

Determination of optical properties of slices of turbid media by diffuse CW laser light scattering profilometry

In this work we present a method for determining the optical parameters of turbid media, namely its absorption coefficient (μ_a) and its reduced scattering coefficient . It is based on the measurement of CW transmittance profiles and analysis of the experimental data by a theoretical model based on the diffusion approximation (DA) of the radiative transfer equation (RTE). The method developed has been investigated with solid polymer probes but it could be applied for liquid materials as well. Experimental results are presented and compared to those of other authors together with a discussion about the accuracy of measurements. In addition, measurements using integrating spheres as well as Monte Carlo simulations are also presented to validate these results.     

红外光学系统光谱透射比校准技术

针对红外光学系统透射比参数无法准确测量的问题,开展了红外光学系统光谱透射比测量和校准技术研究。通过对积分球法、大面积均匀源法等测量方法进行分析,研究构建了基于回返射法的红外光学系统光谱透射比校准装置,并建立了完整的光谱透射比量值溯源和量传链条。利用该装置实现了2μm～14μm波长范围的光谱透射比测量,对测量结果进行不确定度分析,结果为2%。相对于以往的透射比测量装置,该装置的测量结果具有更高的准确性和可靠性。     

Search for charm-quark production via dimuons in neutrino telescopes

Dimuon events induced by charm-quark productions from neutrino deep inelastic scattering (DIS) processes have been studied in traditional DIS experiments for decades. The recent progress in neutrino telescopes makes it possible to search for such dimuon events at energies far beyond the laboratory scale. In this study, we construct a simulation framework to calculate yields and distributions of dimuon signals in an IceCube-like km³ scale neutrino telescope. Owing to the experimental limitation in the resolution of double-track lateral distance, only dimuons produced outside the detector volume are considered. Detailed information about simulation results for a 10-year exposure is presented. As an earlier paper[Physical Review D 105, 093005 (2022)] and ours report on a similar situation, we use that paper as a baseline to conduct comparisons. We then estimate the impacts of different calculation methods of muon energy losses. Finally, we study the experimental potential of dimuon searches under the hypothesis of single-muon background only. Our results based on a simplified double-track reconstruction indicate a moderate sensitivity, especially with the ORCA configuration. Further developments on both the reconstruction algorithm and possible detector designs are thus required and are under investigation.     

从光闪烁频谱反演大气湍流谱:原理与数值模拟

建立了一种数值算法,从光波在湍流大气中传播的闪烁时间频谱的高频特征反演大气光学湍流谱.此算法具有两点优越性:（1）反演出的湍流谱直接表征大气折射率的起伏而非大气温度场的起伏;（2）可以获得高空间波数、大部分位于耗散区的湍流谱,而用其它方法不易获得此区域的湍流谱.对Hill湍流谱以及一种复杂的湍流谱进行了大量数值模拟来检验此种算法,结果表明:如果知道大气风速与湍流内尺度就可以相当有效地获得湍流谱.     

Impact of singularity of Navier-Stokes equation upon atmospheric motion equations

Some conclusions about the smooth function classes stability for the basic system of equations of atmospheric motion and instability for Navier-Stokes equation are summarized. On the basis of this, by taking the basic system of equations of atmospheric motion via Boussinesq approximation as example to explain in detail that the instability about some simplified models of the basic system of equations for atmospheric motion is caused by the instability of Navier-Stokes equation, thereby, a principle to guarantee the stability of simplified equation is drawn in simplifying the basic system of equations.     

Numerical and experimental study of turbulent impinging twin-jet flow

The two dimensional impinging circular twin-jet flow with no-cross flow is studied numerically and experimentally. The theoretical predications are carried out through numerical procedure based on finite volume method to solve the governing mass, momentum, turbulent kinetic energy and turbulent kinetic energy dissipation rate. The parameters studied were jet Reynolds number (9.5 × 10⁴  Re  22.4 × 10⁴), nozzle to plate spacing (3  h/d  12), nozzle to nozzle centerline spacing (l/d = 3, 5 and 8) and jet angle (0°  θ  20°). It is concluded that the stagnation primary point moves away in the radial main flow direction by increasing the jet angle. This shift becomes stronger by increasing the nozzle to nozzle centerline spacing (l/d). A secondary stagnation point is set up between two jets. The value of pressure at this point decreases by decreasing Reynolds number and/or increasing the jet angle.

The sub atmospheric region occurs on the impingement plate. It increases strongly by increasing Reynolds number and decreases as the jet angle and/or a nozzle to plate spacing increases. The spreading of jet decreases by increasing nozzle to plate spacing. The intensity of re-circulation zone between two jets decreases by increasing of h/d and jet angle. The increase of turbulence kinetic energy occurs within high gradient velocity.     

表面解吸常压化学电离质谱法直接分析牙齿微区表面

采用纳升取样表面解吸常压化学电离质谱法(nano-SDAPCI-MS)结合主成分分析(PCA),建立了一种采用具有微米级针尖的金属取样针直接对龋齿不同部位取样并进行快速质谱分析的方法.数据分析结果表明,同一颗龋齿不同部位的质谱指纹谱图之间存在差异;在不需要样品预处理的前提下通过串联质谱快速测定了龋齿中的乳酸、丙酮酸、苯乙酸和丙酸等成分.采用PCA方法可较好地将龋齿病灶位置与邻近正常组织进行区分,也可对不同牙病及健康牙齿进行区分.本方法可方便地对牙齿进行直接微区分析,为鉴别牙齿疾病及观测治疗效果提供了一种快速、简单的方法,为生物体中微细部位的快速取样及直接质谱分析提供了一种可能的解决方案.     

Tutorial review on validation of liquid chromatography–mass spectrometry methods: Part I

This is the part I of a tutorial review intending to give an overview of the state of the art of method validation in liquid chromatography mass spectrometry (LC–MS) and discuss specific issues that arise with MS (and MS/MS) detection in LC (as opposed to the “conventional” detectors). The Part I briefly introduces the principles of operation of LC–MS (emphasizing the aspects important from the validation point of view, in particular the ionization process and ionization suppression/enhancement); reviews the main validation guideline documents and discusses in detail the following performance parameters: selectivity/specificity/identity, ruggedness/robustness, limit of detection, limit of quantification, decision limit and detection capability. With every method performance characteristic its essence and terminology are addressed, the current status of treating it is reviewed and recommendations are given, how to determine it, specifically in the case of LC–MS methods.