类氖离子2p^5(~2P)nd Rydberg光谱计算

类氖离子的激发组态2p^5(~2P)nl(l=s,d)(J=1、奇宇称)是个五通道问题。由于s-d通道相互作用很弱,可将其化为一个两通道(S-通道)问题和一个三通道(d-通道)问题。我们曾应用在两通道情形建立的理论方法,计算了类氖离子2p^5(~2P)nsRydberg系列的激发态结构。本文将这种方法推广到三通道问题,计算氖等电子序列2p^5(~2P)nd Rydberg谱的基本结构参量(即EQDT参量)。本文的结果不仅有助于原子光谱的分类研究,而且还可为等离子体和激光技术等领域提供基本的原子数据。

锥形波导光谱计在密集波分系统中的新型应用

光谱分析技术在采用80波乃至更多波数的密集波分系统中具有重要应用,能够实现对不同波长业务的快速定位、准确标识和灵活分配等多个目的。提出了一种基于螺旋锥形波导结构的新型光谱计,不同于传统光谱计工作原理,在工作带宽、光谱分辨率和器件尺寸等方面具有更大优势,同时实现集成封装后便于携带。

新型微结构光谱计在密集波分系统中的应用

光谱分析在采用80波、40波密集波分技术的(超)高速光纤传输系统中,对不同波长成分的快速标识和业务分配具有重要作用。本文提出的一种新型微结构光谱计在工作带宽、光谱分辨率、器件尺寸等方面都远优于商用光谱计,而且实现集成封装后便于携带。

用于高灵敏度气体分析的小型红外激光二极管光谱计

会议于1990年7月16日至20日在夏威夷的考爱岛首次召开,哈佛大学的诺贝尔奖获得者N·Bloembergen作了关于《非线性光学材料历史回顾》的报告,回顾了授与他诺贝尔奖的历史。他自始自终参加了会议,并饶有兴趣地论述了他的优秀论文,特别是创新的发展。

地基太阳光谱辐照度计的余弦误差影响及其校正方法

针对自研的太阳光谱辐照度计入射光学系统的结构特征,分析了引入余弦误差的因素,研究了直、漫射辐照度以及漫射-总辐射比的余弦校正方法,开展了实验室余弦响应特性测量和多种仪器的敦煌外场比对试验.结果显示,余弦误差与积分球入口黑色阳极化内壁及结构有关,在入射角为60°时,440nm、500nm、670nm和870nm波段太阳光谱辐照度计的余弦误差为4.3%～9.1%;由太阳光谱辐照度计获取的直射辐照度反演得到的大气光学厚度受到余弦误差的严重影响,余弦校正前后与CE318太阳光度计反演结果相比,偏差分别为0.11～0.13和小于0.012;基于天空辐亮度各向同性分布假设,余弦校正后四个波段漫射辐照度数值提升6.8%～10%.基于天空辐亮度分布数据,提出了一种漫射辐照度的精确校正方法,仿真结果显示,余弦校正后的漫射辐照度与理论数据一致,初步验证了该方法的可行性.

红外超光谱成像偏振计

美国犹他州立大学空间动力学实验室正在制造一台红外超光谱成像偏振计(HIP)。这台红外超光谱成像偏振计是设计用来在2.7μm水波段对来自云顶的反向散射太阳光进行高空间和光谱分辨率偏振测定的,它将装在红外特征技术实验飞行飞机(FISTA)——一架空军KC-135飞机上飞行。这是一台将超光谱推帚式成像技术与高速固态偏振测定方法相结合、尽可能多地采用市场上畅销的元部件并利用一种光学模型设计快速制成原型的原理验证敏感仪。它是以一台窗口可选择的256×320InSb摄像机、一台固态铁电液晶(FLC)偏振计和一个透射式衍射光栅为基础的。

岛津UV-2100分光光度计故障的排除

讨论了引起故障的几种原因，阐明了正确判断故障的依据和经验，总结出可供参考的故障分析走向图。

多模光纤中基于压缩传感的光谱探测

随着集成光学器件的发展,昂贵、笨重的商用光谱仪迫使人们更加热衷于对高性能、集成化和低成本的光谱计进行研究.本研究基于多模干涉图案对单波长的强烈依赖特性,采用压缩传感算法实现了对任意形状信号光谱的探测.该锥形光纤光谱计具有20 pm的光谱分辨率和200 nm以上的探测带宽,光谱重建结果显示了其优异的同色异谱效应,为今后便携式和多功能的片上集成系统提供了有效途径.

Development status and prospect of cold chain logistics of fruits,vegetables,and agricultural products based on intelligent technology

The cold chain in the production area of fruits and vegetables is the primary link to reduce product loss and improve product quality,but it is also a weak link.With the application of big data technology in cold chain logistics,intelligent devices,and technologies have become important carriers for improving the efficiency of cold chain logistics in fruit and vegetable production areas,extending the shelf life of fruits and vegetables,and reducing fruit and vegetable losses.They have many advantages in fruit and vegetable pre-cooling,sorting and packaging,testing,warehousing,transportation,and other aspects.This article summarizes the rapidly developing and widely used intelligent technologies at home and abroad in recent years,including automated guided vehicle intelligent handling based on electromagnetic or optical technology,intelligent sorting based on sensors,electronic optics,and other technologies,intelligent detection based on computer vision technology,intelligent transportation based on perspective imaging technology,etc.It analyses and studies the innovative research and achievements of various scholars in applying intelligent technology in fruit and vegetable cold chain storage,sorting,detection,transportation,and other links,and improves the efficiency of fruit and vegetable cold chain logistics.However,applying intelligent technology in fruit and vegetable cold chain logistics also faces many problems.The challenges of high cost,difficulty in technological integration,and talent shortages have limited the development of intelligent technology in the field of fruit and vegetable cold chains.To solve the current problems,it is proposed that costs be controlled through independent research and development,technological innovation,and other means to lower the entry threshold for small enterprises.Strengthen integrating intelligent technology and cold chain logistics systems to improve data security and system compatibility.At the same time,the government should introduce relevant policies,provide necessary financial support,and establish talent training mechanisms.Accelerate the development and improvement of intelligent technology standards in the field of cold chain logistics.Through technological innovation,cost control,talent cultivation,and policy guidance,we aim to promote the upgrading of the agricultural industry and provide ideas for improving the quality and efficiency of fruit and vegetable cold chain logistics.

物质结构新教学体系的研究与实验

中国科技大学化学系各专业的学生不同于一般大学传统化学系的学生,他们兼备一般大学化学系和物理系学生的双重基础。而《物质结构》课是大学化学的一门理论课,如果按传统教材讲授,则远不能满足我校化学系、生物系、地球和空间科学系学生的要求。

Dissociation Pathway Analysis of Thymine under Low Energy VUV Photon Excitation

Photon-induced dissociation pathways of thymine are investigated with vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The photoionization mass spectra of thymine at different photon energy are measured and presented. By selecting suitable photon energy, exclusively molecular ion m/z=126 is obtained. At photon energy of 12.0 eV, the major ionic fragments at m/z=98, 97, 84, 83, 70, and 55 are obtained, which are assigned to C4H6N2O＋, C4H5N2O＋, C3H4N2O＋ （or C4H6NO＋）, C4H5NO＋, C2NO2＋, and C3H5N＋, respectively. With help of theoretical calculations, the detailed dissociation pathways of thymine at low energy are well established.

Theoretical Studies on Structures and Spectroscopic Properties of Highly Efficient Phosphorescent [Ru（terpy）（phen）X]＋ Complexes

The ground and the lowest-lying triplet excited state geometries, electronic structures, and spectroscopic properties of three mixed-ligand Ru（II） complexes [Ru（terpy）（phen）X]＋ （terpy=2,2＇,6＇,2″-terpyridine, phen=l,10-phenanthroline, and X=-C-=CH （1）, X=Cl （2）, X-CN （3）） were investigated theoretically using the density functional theory method. The ground and excited state geometries have been fully optimized at the B3LYP/LanL2DZ and UB3LYP/LanL2DZ levels, respectively. The absorption and emission spectra of the com- plexes in CHaCN solutions were calculated by time-dependent density functional theory with the PCM solvent model. The calculated bond lengths of Ru-C, Ru-N, and Ru-Cl in the ground state agree well with the corresponding experimental results. The highest occupied molecular orbital were dominantly localized on the Ru atom and monodentate X ligand for 1 and 2, Ru atom and terpy ligand for a, while the lowest unoccupied molecular orbital were π＊（terpy） type orbital. Therefore, the lowest-energy absorptions of 1 and 2 at 688 and 631 nln are attributed to a dyz （Ru）＋Tr/p（X）--π＊ （terpy） transition with MLCT/XLCT （metal-to-ligand charge transfer/X ligand to terpy ligand charge transfer） character, whereas that of 3 at 529 nm is related to a dyz （Ru）＋π（terpy）-π＊ （terpy） transition with MLCT and ILCT transition character. The calculated phosphorescence of three complexes at 1011 nm （1）, 913 nm （2）, and 838 nm （3） have similar transition properties to that of the lowest-lying absorption. It is shown that the lowest lying absorptions and emissions transition character of these Ru（II） complexes can be tuned by changing the electron-withdrawing ability of the monodentate ligand.

Spectral computed tomography in advanced gastric cancer: Can iodine concentration non-invasively assess angiogenesis?

AIM To investigate the correlation of iodine concentration(IC) generated by spectral computed tomography(CT) with micro-vessel density(MVD) and vascular endothelial growth factor(VEGF) expression in patients with advanced gastric carcinoma(GC).METHODS Thirty-four advanced GC patients underwent abdominal enhanced CT in the gemstone spectral imaging mode. The IC of the primary lesion in the arterial phase(AP) and venous phase(VP) were measured, and were then normalized against that in the aorta to provide the normalized IC(nI C). MVD and VEGF were detected by immunohistochemical assays, using CD34 and VEGF-A antibodies, respectively. Correlations of nI C with MVD, VEGF, and clinical-pathological features were analyzed.RESULTS Both nI Cs correlated linearly with MVD and were higher in the primary lesion site than in the normal control site, but were not correlated with VEGF expression. After stratification by clinical-pathological subtypes, nI C-AP showed a statistically significant correlation with MVD, particularly in the group with tumors at stage T4, without nodular involvement, of a mixed Lauren type, where the tumor was located at the antrum site, and occurred in female individuals. nI C-VP showed a positive correlation with MVD in the group with the tumor at stage T4 and above, had nodular involvement, was poorly differentiated, was located at the pylorus site, of a mixed and diffused Lauren subtype, and occurred in male individuals. nI C-AP and nI C-VP showed significant differences in terms of histological differentiation and Lauren subtype.CONCLUSION The IC detected by spectral CT correlated with the MVD. n IC-AP and n IC-VP can reflect angiogenesis in different pathological subgroups of advanced GC.

Decay Dynamics of N, N-Dimethylthioacetamide in S3（ππ＊） State

The decay dynamics of N, N-dimethylthioacetamide after excitation to the S3（ππ＊） state was studied by using the resonance Raman spectroscopy and complete active space self- consistent field method calculations. The UV-absorption and vibrational spectra were as- signed. The A-band resonance Raman spectra were obtained in acetonitrile, methanol and water with the laser excitation wavelengths in resonance with the first intense absorption band to probe the Franck-Condon region structural dynamics. The CASSCF calculations were carried out to determine the excitation energies and optimized structures of the lower- lying singlet states and conical intersection point. The A-band structural dynamics and the corresponding decay mechanism were obtained by the analysis of the resonance Raman in- tensity pattern and the CASSCF calculated structural parameters. The major decay channel of S3,FC （ππ＊）→S3（ππ＊）/S1 （nπ＊）→S1（nπ＊） is proposed.

Attribute reduction based on background knowledge and its application in classification of astronomical spectra data

To improve the efficiency of the attribute reduction, we present an attribute reduction algorithm based on background knowledge and information entropy by making use of background knowledge from research fields. Under the condition of known background knowledge, the algorithm can not only greatly improve the efficiency of attribute reduction, but also avoid the defection of information entropy partial to attribute with much value. The experimental result verifies that the algorithm is effective. In the end, the algorithm produces better results when applied in the classification of the star spectra data.

Structural Dynamics of Phenyl Azide in Light-Absorbing Excited States： Resonance Raman and Quantum Mechanical Calculation Study

The excited state structural dynamics of phenyl absorbing S2（A＇）, S3（A＇）, and S6（A＇） states were troseopy and complete active space self-consistent and the UV absorption bands were assigned on azide （PhN3） after excitation to the light studied using the resonance Raman specfield calculations. The vibrational spectra the basis of the Fourier transform （FT）- Raman, FT-infrared measurements, the density-functional theory computations and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohex- ane, acetonitrile, and methanol solvents were, respectively, obtained at 273.9, 252.7, 245.9, 228.7, 223.1, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PhN3. The results indicated that the structural dynamics in the S2 （A＇）, S3（A＇）, and S6（A＇） states were significantly different. The crossing points of the potential energy surfaces, S2S1（1） and S2S1（2）, were predicted to play a key role in the low-lying excited state decay dynamics, in accordance with Kasha＇s rule, and NT=N8 dissociation. Two decay channels initiated from the Franck-Condon region of the S2（A＇） state were predicted： the radiative S2,min→S0 radiative decay and the S2→S1 internal conversion through the crossing points S2S1 （1）/S2S1（2）.

A Spectral Index for Estimating Soil Salinity in the Yellow River Delta Region of China Using EO-1 Hyperion Data

Soil salinization is one of the most common land degradation processes. In this study, spectral measurements of saline soil samples collected from the Yellow River Delta region of China were conducted in laboratory and hyperspectral data were acquired from an EO-1 Hyperion sensor to quantitatively map soil salinity in the region. A soil salinity spectral index (SSI) was constructed from continuum-removed reflectance (CR-reflectance) at 2052 and 2203 nm, to analyze the spectral absorption features of the salt-affected soils. There existed a strong correlation (r = 0.91) between the SSI and soil salt content (SSC). Then, a model for estimation of SSC with SSI was established using univariate regression and validation of the model yielded a root mean square error (RMSE) of 0.986 and an R2 of 0.873. The model was applied to a Hyperion reflectance image on a pixel-by-pixel basis and the resulting quantitative salinity map was validated successfully with RMSE = 1.921 and R2 = 0.627. These suggested that the satellite hyperspectral data had the potential for predicting SSC in a large area.

In situ hyperspectral data analysis for pigment content estimation of rice leaves

Analyses of the correlation between hyperspectral reflectance and pigment content including chlorophyll a, chlorophyll b and carotenoid of leaves in different sites of rice were reported in this paper. The hyperspectral reflectance of late rice during the whole growing season was measured using a Spectroradiometer with spectral range of 350-1050 nm and resolution of 3 nm. The chlorophyll a, chlorophyll b and carotenoid contents in rice leaves in rice fields to which different levels of nitrogen were applied were measured. The chlorophyll a content of upper leaves was well correlated with the spectral variables. However, the correlation between both chlorophyll b and caroteniod and the spectral variables was far from that of chlorophyll a. The potential of hyperspectral reflectance measurement for estimating chlorophyll a of upper leaves was evaluated using univariate correlation and multivariate regression analysis methods with different types of predictors. This study showed that the most suitable estimated model of chlorophyll a of upper leaves was obtained by using some hyperspectral variables such as SD r, SD b and their integration.