青海瑞香狼毒叶绿素含量高光谱预测模型

叶绿素含量是植物生长状况的重要指标,狼毒叶绿素含量预测可为狼毒长势监测及危害防控提供科学依据。本文选取青海省兴海县瑞香狼毒分布的典型退化草甸,利用全光谱的偏最小二乘法(PLS)、基于连续投影算法的多元线性回归法(SPA-MLR)、基于连续投影算法的偏最小二乘法(SPA-PLS)、红边参数以及植被指数共5种方法对狼毒叶片SPAD值进行预测和对比分析,构建青海省瑞香狼毒叶绿素含量的最优预测模型。结果表明:利用SPA算法筛选出9个特征波长建立的PLS模型对狼毒SPAD值的预测结果最好,预测相关系数为0.778,预测均方根误差为1.895;与全光谱PLS模型相比,SPA-PLS模型明显减少计算量,提高了建模效率;与SPA-MLR模型相比,SPA-PLS模型有效解决了变量之间的共线问题,显著提高了预测精度,是狼毒叶绿素含量的最佳预测模型;基于红边参数和植被指数建立的预测模型中,MCARI指数构建的模型对狼毒SPAD值的预测精度最高,预测相关系数为0.808,预测均方根误差为1.969,可作为反演狼毒叶绿素含量的最优植被指数。     

黄土丘陵沟壑区土壤养分含量的高光谱预测模型

基于高光谱数据快速准确估算土壤养分含量,可为土壤养分监测及土壤理化参数反演提供优化方法.本研究在陕北黄土丘陵沟壑区选取典型样地,分析土壤养分含量与光谱反射率的定量关系,采用连续投影算法提取其光谱特征波长,利用偏最小二乘法、多元线性回归法、支持向量机法分别对土壤有机质、全氮、全磷、全钾含量进行预测并对比分析,构建该区域土壤养分含量的最优高光谱预测模型.结果表明: 黄土丘陵沟壑区土壤养分含量与光谱反射率在可见光区(400～760 nm)和近红外区(760～1100 nm)相关性较高,相关系数最大值均位于这两个光谱区间.4种土壤养分含量的SPA-SVM模型的普适性好且反演精度高,建模过程简单高效,适用于小数据量试验.本研究结果可为采用机器学习算法构建黄土丘陵沟壑区土壤养分含量高光谱预测模型提供参考.     

基于近红外光谱的冬小麦籽粒蛋白质含量检测

冬小麦籽粒蛋白质含量(GPC)是评价冬小麦品质的主要指标,为了研究不同建模方法对GPC检测的影响,本研究对冬小麦籽粒的近红外原始光谱进行S-G平滑、基线校正和多元散射校正等预处理,利用连续投影算法(SPA)提取冬小麦GPC的重要光谱波段,并结合偏最小二乘回归(PLSR)、主成分回归(PCR)、支持向量机(SVM)和多元线性回归(MLR)建立GPC的光谱预测模型,并综合比较模型的适用性。结果表明:经过SPA提取的特征波段为1801、1010、1109、2284、2219、2239、871、1361、1925、1849和1456 nm;模型评价方面,利用特征波段建立的SVM模型效果较好,其中校正均方根误差(RMSEC)和R2分别为0.2481和0.9760,验证均方根误差(RMSEP)和R2分别为0.3587和0.9581。研究表明,SPA+SVM预测模型在一定程度上能够实现冬小麦籽粒蛋白质的快速、无损检测。     

食用调和油中花生油含量的近红外光谱分析

采用偏最小二乘法(PLS)等方法建立了食用调和油中花生油含量定量分析的近红外光谱定标模型。采集食用调和油样品在4 000 cm-1~10 000 cm-1范围内的近红外漫反射光谱,光谱经一阶导数处理后,采用偏最小二乘法建立样品中花生油含量的定标模型,并用Leave-one-out内部交叉验证法对模型进行验证。模型相关系数为0.99961,校正均方根RMSEC为0.830%。比较不同光谱预处理方法对定标模型的影响,结果表明一阶导数Corr.coeff最好。采用不同的化学计量学方法建立的定标模型中以偏最小二乘回归法最理想。     

奇异数据筛选法在玉米籽粒蛋白质近红外光谱检测中的应用

相对于传统生化测定方法,基于近红外光谱(Near infrared spectroscopy,NIRS)玉米籽粒蛋白质含量检测是一种快速、非破坏、且适用于多组分同时检测的新方法。但在建模过程中,由于奇异数据(异常值)的存在会影响近红外光谱模型的预测精度和稳定性,我们采用奇异数据筛选法剔除了玉米籽粒近红外光谱中的奇异数据并建立了玉米籽粒蛋白质含量的偏最小二乘支持向量机(Least squares support vector machine,LS-SVM)模型。本文分别采用杠杆值法(Leverage)、半数重采样法(Resampling by Half-Mean,RHM)和蒙特卡洛采样法(Monte-Carlo Sampling,MCS)剔除了玉米籽粒蛋白质光谱数据中的奇异数据并对模型结果进行比较。在剔除奇异数据的基础上,采用偏最小二乘回归法(Partial least squares regression,PLSR)提取主成分,并基于小生境蚁群算法(Niche ant colony algorithm,NACA)优化偏最小二乘支持向量机(LS-SVM)模型参数(γ和σ2),建立基于LS-SVM的玉米籽粒蛋白质定量分析模型。结果表明,采用3种奇异数据筛选法剔除奇异数据后所建LS-SVM模型的预测结果都优于采用原光谱数据所建模型,相比较而言,蒙特卡洛采样法为基于近红外光谱检测玉米籽粒蛋白质的最佳奇异数据筛选法。     

基于SVR算法的林地土壤氮含量高光谱测定

提出了一种利用高光谱技术进行杉木林土壤全氮测定的新方法。以FieldSpec®3地物光谱仪采集杉木林土壤148份, 随机分成校正集(100份)和检验集(48份)。以不同方法实现了土壤光谱的预处理, 并采用偏最小二乘回归算法(PLS)建立土壤氮含量估测模型对其进行比较分析, 发现小波除噪结合多元散射校正能最有效地消除原始光谱的噪声与背景信息, 此时PLS模型校正集与预测集R²分别为0.891与0.885。为进一步优化模型, 对经小波除噪结合多元散射校正处理后的光谱采用主成分分析法(PCA)降维, 以前4个主成份为输入变量, 采用小二乘支持向量机回归算法(LS-SVR)建立了土壤氮含量估测模型, 其校正集与预测集R²分别提高至0.921与0.917, 具有比PLS算法更高的精度。结果表明:以高光谱技术进行林地土壤氮含量快速监测是可行的, 其中小波去噪结合多元散射校正系光谱预处理的优选方法, 而LS-SVR则是建模的优选方法。     

MC‐UVE波长选择法在近红外光谱鉴别茯苓产地中的应用研究

利用近红外光谱鉴别云南不同产区药用真菌茯苓。采用光谱标准偏差法(SSD)和蒙特卡罗无信息变量消除法(MC-UVE)逐步筛选光谱信息,利用K-S算法将白茯苓和茯苓皮划分训练集和验证集,并结合偏最小二乘判别分析法(PLS-DA)分别构建不同产区白茯苓和茯苓皮的分类模型,进一步建立不同产区茯苓的Fisher判别方程。结果表明:(1)通过主成分-马氏距离(PCA-MD)分析,白茯苓和茯苓皮的近红外光谱在主成分得分空间内呈现出较大差异,构建不同产区茯苓鉴别模型应将白茯苓及茯苓皮分开。(2)最优主成分数为5时,采用SSD筛选的886个变量(7 501.74–4 088.35cm~(-1))构建的白茯苓和茯苓皮的分类模型,其R~2、RMSECV和RMSEP分别为0.986、0.988;0.320、0.283;0.425、0.395;采用MC-UVE法分别筛选出白茯苓和茯苓皮光谱信息(34个、22个变量)建立的分类模型,其R~2、RMSECV和RMSEP分别为0.993、0.991;0.224、0.255;0.298、0.355。采用MC-UVE结合PLS-DA法建立的分类模型,有效降低了冗余信息,白茯苓和茯苓皮的R~2均有所提升,RMSECV和RMSEP均有所降低,预测正确率分别由85.71%和83.33%,提高至100%。(3)进一步采用逐步判别分析法筛选出白茯苓(6个)和茯苓皮(4个)光谱变量,建立Fisher判别方程,回代验证正确率均大于85.7%,交叉验证正确率均大于66.7%,表明所建立的Fisher判别方程能较好地鉴别不同产区的茯苓。     

基于DWT-GA-PLS的土壤碱解氮含量高光谱估测方法

以山东齐河县为研究区,实地采集土壤样本,在土样高光谱测试并进行一阶导数变换的基础上,先运用离散小波变换(DWT)对土壤光谱去噪降维,然后采用遗传算法(GA)筛选土壤碱解氮定量估测模型的参与变量,最后应用偏最小二乘(PLS)回归构建土壤碱解氮含量的估测模型.结果表明: 离散小波变换结合遗传算法和偏最小二乘法(DWT-GA-PLS)用于土壤碱解氮含量定量估测,不仅可压缩光谱变量、减少模型参与变量,而且可改善模型估测准确度;较之于采用土壤全谱,小波离散分解1～2层低频系数构建的模型在参与变量大幅减少的情况下,取得更准确或与之相当的预测结果,其中,基于第2层小波低频系数采用GA筛选变量构建的PLS模型的预测效果表现最好,预测R²达到0.85,RMSE为8.11 mg·kg^-1,RPD为2.53.说明DWT-GA-PLS用于土壤碱解氮含量高光谱定量估测的有效性.     

灯盏花挥发性组分结构与保留时间关系研究

通过对有机化合物非氢原子进行分类、参数化染色、建立非氢原子之间的关系得到新的结构描述符.对灯盏花的64种挥发性有机化合物结构进行了参数化表征,运用多元线性回归(MLR)和偏最小二乘回归(PLS)方法构建了化合物结构与色谱保留时间的关系模型.通过“留一法”交互检验对模型的稳定性进行了评价,利用外部样本集对模型的预测能力进...     

波长选择SCARS和偏最小二乘法建立香菇中多糖含量预测的近红外光谱模型

为实现香菇多糖含量的快速测定,利用近红外光谱漫反射技术采集了60个香菇粉末样本在12000~3800 cm-1范围内的光谱数据,利用紫外可见光谱法测定了香菇粉末样品的多糖含量。采用多种化学计量学方法,剔除掉四个异常样本后,考察了不同的光谱预处理方法以及波长选择对模型的影响,用留一交互检验法建立了偏最小二乘(PLS)模型,并用所建立的校正模型对独立预测集样本进行了预测。结果表明,当采用二阶导数及变量稳定性的竞争自适应加权抽样法(SCARS)选择的波长对光谱进行处理时,所建立的模型预测效果最佳,在隐变量数为10时,模型相关系数为0.9906,校正均方根误差(RMSEC)为0.0523 g/100 g,预测相关系数Rp=0.9781,预测均方根误差(RMSEP)=0.0577 g/100 g,该模型具有较好的预测能力,可用于香菇多糖含量的近红外光谱快速检测。     

A Unique Protease Cleavage Site Predicted in the Spike Protein of the Novel Pneumonia Coronavirus (2019-nCoV) Potentially Related to Viral Transmissibility

正Dear Editor,In December 2019, a novel human coronavirus caused an epidemic of severe pneumonia(Coronavirus Disease 2019,COVID-19) in Wuhan, Hubei, China(Wu et al. 2020; Zhu et al. 2020). So far, this virus has spread to all areas of China and even to other countries. The epidemic has caused 67,102 confirmed infections with 1526 fatal cases     

Curcuminoids as inhibitors of thioredoxin reductase: A receptor based pharmacophore study with distance mapping of the active site

Curcumin is the yellow pigment of turmeric that interacts irreversibly forming an adduct with thioredoxin reductase (TrxR), an enzyme responsible for redox control of cell and defence against oxidative stress. Docking at both the active sites of TrxR was performed to compare the potency of three naturally occurring curcuminoids, namely curcumin, demethoxy curcumin and bis-demethoxy curcumin. Results show that active sites of TrxR occur at the junction of E and F chains. Volume and area of both cavities is predicted. It has been concluded by distance mapping of the most active conformations that Se atom of catalytic residue SeCYS498, is at a distance of 3.56 from C13 of demethoxy curcumin at the E chain active site, whereas C13 carbon atom forms adduct with Se atom of SeCys 498. We report that at least one methoxy group in curcuminoids is necessary for interation with catalytic residues of thioredoxin. Pharmacophore of both active sites of the TrxR receptor for curcumin and demethoxy curcumin molecules has been drawn and proposed for design and synthesis of most probable potent antiproliferative synthetic drugs.     

The structure, reproduction and taxonomy of Vidalia and Osmundaria (Rhodophyta, Rhodomelaceae)

Comprises species occurring mostly in subtidal habitats in tropical, subtropical and warm-temperate areas of the world. An analysis of the type species, V. spiralis (Sonder) Lamouroux ex J. Agardh, a species from Australia, establishes basic characters for distinguishing species in the genus. These characters are (1) branching patterns of thalli, (2) flat blades that may be spiralled on their axis, (3) width of the blade, (4) primary or secondary derivation of sterile and fertile branchlets and (5) position of sterile and fertile branchlets on the thalli. Application of the latter two characters provides an important basic method for separation of species into three major groups. Osmundaria , a genus known only in southern Australia, was studied in relation to Vidalia , and its separation from the Vidalia assemblage is not accepted. Species of Vidalia therefore are transferred to the older genus name, Osmundaria. Two new species, Osmundaria papenfussii and Osmundaria oliveae are described from Natal. Confusion in the usage of the epithet, Vidalia fimbriala Brown ex Turner has been clarified, and Vidalia gregaria Falkenberg, described as an epiphyte on Osmundaria pro/ifera Lamouroux, is revealed to be young branches of the host, Osmundaria prolifera.     

New or rare chromosome counts in Artemisia L. (Asteraceae, Anthemideae) and related genera from Kazakhstan

Fifteen chromosome counts of six Artemisia taxa and one species of each of the genera Brachanthemum, Hippolytia, Kaschgaria, Lepidolopsis and Turaniphytum are reported from Kazakhstan. Three of them are new reports, two are not consistent with previous counts and the remainder are confirmations of very scarce (one to four) earlier records. All the populations studied have the same basic chromosome number, x = 9, with ploidy levels ranging from 2x to 6x. Some correlations between ploidy level, morphological characters and distribution are noted.     

Comparative morphology of the carpel in the Liliaceae: Hewardieae, Petrosavieae, and Tricyrteae

The young pistils in the melanthioid tribes, Hewardieae, Petrosavieae and Tricyrteae, are uniformly tricarpellate and syncarpous. They lack raphide idioblasts. All are multiovulate, with bitegmic ovules. The Petrosavieae are marked by the presence of septal glands and incomplete syncarpy. Tepals and stamens adhere to the ovary in the Hewardieae and the Petrosavieae but not in the Tricyrteae. Two vascular bundles occur in the stamens of the Hewartlieae and Tricyrtis latifolia. Ventral bundles in the upper part of the ovary of the Hewardieae are continuous with compound septal bundles and placental bundles in the lower part. Putative ventral bundles occur in the alternate position in the Tricyrteae and putative placental bundles in the opposite. position in the Petrosavieae. The dichtomously branched stigma in each carpel of the Tricyrteae is supplied by a bifurcated dorsal bundle.     

肝癌中HBV和HCV基因和抗原的分布及意义

采用原位分子杂交方法检测HCV RNA及HBV X基因;采用免疫组织化学方法研究HCV核心抗原,非结构区C33c抗原及HBxAg在肝细胞肝癌中的定位及分布.结果表明(1)HCV RNA、HBV X基因在肝细胞肝癌组织检出率分别为40%(55/136)和82%(112/136).HCV RNA定位于癌细胞的胞浆内,阳性细胞呈散在、灶状及弥漫分布三种形式;HBV X基因在肝癌细胞中的分布呈胞浆型、核型及核浆型,阳性细胞也呈上述三种分布形式;(2)HCV C33c抗原、核心抗原在肝细胞肝癌中的阳性率为81%(133/164)及86%(141/164).C33c抗原定位于癌细胞及肝细胞的胞浆内;核心抗原既定位于癌细胞核中,又可定位于胞浆中.C33c抗原阳性细胞以灶状分布为主;而核心抗原阳性细