近红外定性分析模型的稳健性与适应性分析

研究了近红外定性分析中模型的稳健性与适应性问题。讨论了单独建模延长建模周期对模型性能的影响,结果显示这种方法可以显著提高模型的稳健性,同时对模型的台间适应性也有所提升,但提升作用有限;研究了不同仪器联合建模的方法对模型性能的影响,该方法不仅可以显著提高模型的适应性,而且可以有效提高模型的稳健性。对比单独建模,可以缩短建模时间,减少模型建立的工作量;延长模型的适用期限,提高建模效率。结果表明,对模型适应性的测试,单独建模其正确识别率较低,不能满足应用的要求,而多台仪器联合建模可以达到90%以上,提升效果明显;对模型稳健性的测试,联合建模也能得到相比单独建模更好的模型识别效果,具有很好的应用价值。     

Qualitative and Numerical Analysis of a Cosmological Model Based on an Asymmetric Scalar Doublet with Minimal Connections. IV. Numerical Modeling and Types of Behavior of the Model

Russian Physics Journal - On the basis of a qualitative and numerical analysis of a cosmological model based on an asymmetric scalar doublet of nonlinear, minimally interacting scalar fields...     

废旧涤／棉混纺织物NIRS定性分析模型的建立与外部验证

利用近红外光谱技术对354个废旧涤/棉混纺织物进行研究,通过偏最小二乘法（partial least squares ,PLS ）和定性鉴别系数建立了不同光谱特征的涤/棉混纺织物近红外定性分析模型。染色涤/棉混纺织物N IR光谱主要有两大类,一类具有正常涤/棉光谱特征,另一类光谱由于样本中染料、颜料和消光剂等化学助剂的影响,使光谱谱线成斜线,失去其光谱特征。如以全部样本建模,模型识别率较低。故将样本分为两类：斜线光谱样本和正常光谱样本,分别建立NIR定性分析模型。NIR定性分析模型建立后,根据验证结果分别对建模的谱区、预处理方法和主因子数进行优化,以提高模型的稳健性和可靠性。结果表明,样本分别建模后,模型的识别率大大提高,用验证集样本进行内部验证,正常光谱和斜线光谱所建模型的识别率均达99％,其校正集相关系数 RC 均为0.991,验证集相关系数 RP 分别为0.983和0.984、校正标准差S EC分别为0．887和0.453、预测标准差SEP分别为1.131和0.573。用150个界外样本分别对正常光谱样本模型和斜线光谱样本模型进行外部预测检验,模型识别率分别达91.33％和88.00％,表明所建NIR定性分析模型能够较好地在回收现场进行涤/棉混纺织物的鉴别。     

Qualitative and Numerical Analysis of a Cosmological Model Based on an Asymmetric Scalar Doublet with Minimal Couplings. II. Numerical Modeling of Phase Trajectories

Russian Physics Journal - With the help of our own software package DifEqTools, numerical modeling of the cosmological evolution of a system consisting of an asymmetric scalar doublet of nonlinear,...     

绞股蓝种子中α-桐酸的定性和定量分析

用RTX-5MS弹性石英毛细管柱(0.25mm×30m×0.25μm)气相色谱-质谱法(GC-MS)分析绞股蓝种子中的α-桐酸。用相对保留时间和质谱对α-桐酸进行定性分析,用内标法对α-桐酸进行定量分析。结果表明,绞股蓝种子中含有α-桐酸,在0.34—1.37mg/mL范围内线性关系良好(R2=0.9996),平均回收率为99.91%,且绞股蓝种子中α-桐酸的含量为66.9mg/g。实验结果为以后的绞股蓝种子中α-桐酸的开发与利用提供理论依据。     

X射线荧光定性分析中异常谱的分析判定

根据原子物理理论,采用电子探针显微分析仪(EPMA)和RM-1000型显微激光拉曼仪(LRS),对猫眼石XRF定性分析中出现的异常谱进行了分析判定。     

Qualitative and Numerical Analysis of a Cosmological Model Based on an Asymmetric Scalar Doublet with Minimal Connections. III. Multiply-Connected Factor and Character of the Singular Points

Russian Physics Journal - On the basis of a qualitative and numerical analysis of a cosmological model based on an asymmetric scalar doublet of nonlinear, minimally interacting scalar fields, both...     

化学计量学在近红外光谱定性分析中的应用

近红外光谱的多元特性使得它特别适合于应用化学计量学技术进行物质的分析。本文讨论了判别分析技术在近红外光谱定性分析中的应用,结果表明应用相关的化学计量学方法采用近红外光谱进行物质的定性分析是可行的。     

A New Qualitative Prediction of the Parton Model for High-Energy Hadron Collisions

Inclusive single jet production in hadron collisions is considered. It is shown that the QCD parton model predicts a nonmonotonic dependence of the inclusive cross section on the fraction of the energy deposited in the jet registered, if it is normalized on the same cross section measured at another collision energy. Specifically, if the cross section is normalized by the one measured at a higher collision energy, it possesses a minimum which depends on jet rapidity. This prediction can be tested at the Fermilab Tevatron, at the CERN LHC, and at the Very Large Hadron Collider under discussion.     

Qualitative Analysis of Proton Inelastic Scattering for Diquark Searching

Physics of Atomic Nuclei - In this paper we discuss exclusive reactions whose analysis can be used to receive direct indication of diquark existence. We make estimations of diquark scattering...     

红外光谱法对双黄连粉针剂的定性定量分析

通过分析双黄连粉针剂的红外光谱并与对照品进行比较,初步指认了粉针剂中各类成分的吸收峰,为定性质量分析提供了依据。建立了基于中红外光谱的黄芩苷与绿原酸含量校正模型。模型的R2值均在0.99以上,平均预测相对误差也低于4%,具有良好的拟合及预测能力。本研究结果说明,使用红外光谱法对双黄连粉针剂进行在线定性定量分析,方便快速,切实可行。     

Qualitative Analysis of Quantum-Electrodynamic Processes in a Strong Field

Radiophysics and Quantum Electronics - We propose a simple method for estimation of the probabilities of elementary processes of quantum electrodynamics in a strong field. It is shown that...     

基于模糊识别的γ能谱定性分析

提出了一种基于模糊识别的γ能谱分析方法。通过建立关于未知谱的模糊集合、标准核素库及模糊识别算法,实现了γ能谱的快速自动定性分析,并对3组混合标准源γ能谱和3个低本底样品γ能谱进行了定性分析。结果表明在不精确求解峰位的情况下,即可准确分析出样品中所含的放射性核素。     

红外光谱法定性检测皮革中的PVC

对红外光谱仪检测纺织品中的PVC进行了相关研究,对样品的前处理的步骤进行了初步的探索。最终选定以四氢呋喃为溶剂,乙醇为析出剂,对样品中的PVC反复提取两次,获得较为纯净的PVC固体后,做出其红外图谱,结果可以达到定性的目的。     

便携式拉曼光谱仪用于合成大麻素类物质快速定性分析探究

我国于2021年7月将合成大麻素类物质整类列入管制,在一线查缉现场对疑似合成大麻素样品进行快速定性分析是办案民警的迫切需求。研究系统考察了拉曼光谱对合成大麻素的整体区分能力,比较了四款手持式拉曼光谱仪分析实际缴获样品时的结果差异,探讨了制约拉曼光谱在一线查缉现场广泛应用的原因。ProTT-EZRaman-A7便携式拉曼光谱仪的整体性能介于台式拉曼和手持式拉曼之间,选用该仪器采集了90种合成大麻素对照品的拉曼光谱,并利用兼容性强的KnowItAll软件建立了90种合成大麻素通用拉曼光谱库。分析90种合成大麻素的拉曼光谱,结果表明,当不存在荧光干扰时,拉曼光谱可以区分所有合成大麻素物质,但对部分结构相差一个甲基、卤素原子等的结构类似物区分度欠佳。不同款拉曼光谱仪的性能差异大,为考察其原因,本研究选用了四款手持式拉曼光谱仪分别对120份实际缴获合成大麻素样品进行了测定,随后使用KnowItAll软件并选用包含90种合成大麻素的通用拉曼光谱库对每张光谱图进行谱库检索。四款手持式拉曼光谱仪的正确匹配率分别为71.7%, 68.3%, 46.7%和24.2%。抗荧光干扰能力和分辨率的不同是造成不同...     

Dynamics of Cosmological Models with Nonlinear Classical and Phantom Scalar Fields. II. Qualitative Analysis and Numerical Modeling

Russian Physics Journal - A detailed qualitative analysis and numerical modeling of the evolution of cosmological models based on nonlinear classical and phantom scalar fields with self-action are...     

Quantitative and Qualitative Analysis of Bose-Einstein Condensation in Harmonic Traps

A simple and direct approach to handle summation is presented. With this approach, we analytically investigate Bose-Einstein condensation of ideal Bose gas trapped in an isotropic harmonic oscillator potential. We get the accurate expression of Tc which is very close to (0.43% larger than) the experimental data. We find the curve of internal energy of the system vs. temperature has a turning point which marks the beginning of a condensation. We also find that there exists specific heat jump at the transition temperature, no matter whether the system is macroscopic or finite. This phenomenon could be a manifestation of a phase transition in finite systems.     

Qualitative Analysis by Photoacoustic Spectroscopy of Amorphous Uranium Tetrafluoride Deposits

Recent studies concerning uranium plasma chemistry have confirmed the generally complicated nature of uranium chemistry¹. Uranium plasma, generated by either rf-heating or dc arc torch argon heating of uranium hexafluoride, tends to react with its environment to produce among other compounds both fluorides and oxy-fluorides. The products are characterized as amorphous, powdery deposits. While uranyl fluoride can be identified readily by its infra-red absorption band, uranium tetrafluoride is not easily analyzed by any routine, non-destructive technique. Procedures such as Ion Scattering Spectroscopy and Secondary Ion Mass Spectrometry are expensive and time consuming; while, X- ray and electron deffraction can not overcome the amorphous nature of the plasma deposits.     

基于连接矩阵的潜在通路定性分析方法

对电路图中的电气元件进行定性建模,根据建立的元件模型,按照电流方向将电路图转化为有向图的形式,进而构造出图的连接矩阵,利用其代数余子式计算有向图中从电源正端到地端的所有通路路径,并与该电路图设计的功能支路进行对比确定电路是否存在潜在通路;相比于传统潜在通路分析的邻接矩阵法,该方法不仅能判别电路中是否存在潜在通路,而且能确定潜在通路的所有导通路径信息;在此基础上,提出了改进原始电路图以达到消除潜在通路影响的方法,文中采用某汽车点火电路为例,利用Capital Harness System(CHS)软件仿真分析,验证该方法的正确性与可行性。