基于近红外反射光谱的洋葱可溶性固体物检测

研究利用近红外(924～1 720 nm)反射光谱预测了洋葱的可溶性固体物含量。实验选取了三种不同产地和不同采收期的洋葱为样本(268)。在重复采集光谱数据之后,榨取对应光谱采集处洋葱块汁,测定可溶性固体物参考值。研究对比了Savitzky-Golay平滑、散射校正和微分处理等预处理方法,同时基于偏最小二乘回归方法建立了统计模型。结果表明,带S-G平滑的微分处理在平滑窗口为32,跨度为10时效果最佳。一阶微分比二阶微分的预处理效果要好,预测复相关系数R2为0.87,均方根误差RMSEP为2.42 °Brix。对比显示,无平滑处理光谱数据散射校正预处理得到的结果最好,预测复相关系数R2为0.88(RMSEP=2.31 °Brix)。采用交叉验证得到的PLSR模型预测复相关系数R2为0.90,RMSEP为1.84 °Brix,其相对分析误差RPD为3。说明加散射校正处理的近红外反射光谱可用于洋葱的可溶性固体物检测。     

基于NIRS技术的食用醋品牌溯源研究

以四种品牌152组食用醋样品为研究对象,采用漫反射与透射两种近红外光谱采集模式分别进行光谱数据采集,并以此建立了食用醋品牌溯源模型,重点考察光谱采集模式、光谱预处理方法等对溯源模型精度的影响。结果表明,选取114组样品为训练集,原始光谱数据经过多元散射校正、二阶求导预处理后,采用偏最小二乘判别分析法(PLS1-DA)建立的食用醋NIRS品牌溯源模型,对38组测试集样品进行预测,透射光谱模型的决定系数(R2)、校准均方根误差(root-mean-square error of calibration, RMSEC)、预测均方根误差(root-mean-square error of prediction, RMSEP)分别为0.92,0.113,0.127,正确识别率为76.32%;漫反射光谱模型R2,RMSEC,RMSEP分别为0.97,0.102,0.119,正确识别率为86.84%。由此说明,近红外光谱结合PLS1-DA可以用来建立食用醋品牌溯源模型,且漫反射光谱模型预测效果更好。     

基于自编码网络流形学习的毛竹笋不溶性膳食纤维含量红外光谱建模

提出了一种结合自编码网络(AN)流形学习和偏最小二乘(PLS)法的红外光谱建模方法AN-PLS。AN-PLS方法首先用AN算法对红外光谱数据进行非线性降维,再结合PLS建立回归模型。利用该方法建立了毛竹笋中不溶性膳食纤维含量的近红外光谱和中红外光谱回归模型。结果表明,用AN-PLS方法建立的回归模型,比用其他常用光谱数据预处理方法结合PLS及用单独PLS算法建立的模型具有更小的预测均方根误差RMSEP和更高的决定系数R2,因此,AN-PLS具有较优的建模与预测能力,利用近红外光谱和中红外光谱技术结合AN-PLS建模,可实现毛竹笋中不溶性膳食纤维含量的准确测量。     

基于支持向量机算法的红外光谱技术在奶粉蛋白质含量快速检测中的应用

蛋白质是奶粉中重要的营养成分,实现对奶粉中蛋白质含量的快速、无损检测十分重要。文章采用近红外及中红外光谱技术检测了不同品种奶粉的蛋白质含量。采用最小二乘支持向量机对光谱透射率值和蛋白质值建模。模型在全波段对样本蛋白质含量预测得到了较好的结果,绝对系数(R2_p)达到0.9517,预测误差均方根(RMSEP)为0.520 201。预测结果要优于传统的偏最小二乘回归(PLS)的预测结果,说明红外光谱技术能够实现奶粉蛋白质含量的无损检测,且检测过程比传统化学检测方法简单,操作性强。文章同时还研究了分别基于中红外光谱范围和近红外光谱范围的建模。模型预测结果显示中红外光谱区域的建模效果要优于近红外光谱区域。该研究为今后奶粉蛋白质含量快速无损检测提供了新的方法。     

可见/近红外光估测完整柑橘水果可溶性固形物含量的研究

研究用可见/近红外光谱(Vis/NIR spectroscopy)漫透射方式对柑橘类水果的可溶性固形物含量(SSC)进行了无损、快速定量分析。通过自行设计的Vis/NIR光谱系统测定了110个柑橘样品的SSC。82个柑橘样品用来建模,其余28个用来验证模型的性能。对实验室测得的柑橘水果的SSC实际值与Vis/NIR光谱数据进行相关性分析,用光谱定量分析软件中集成的偏最小二乘回归法(PLS)和主成分回归法(PCR)建立校正和预测模型。对比了不同光谱预处理方法, 如微分处理, 标准归一化处理(SNV), 多元散射校正(MSC)和Savitzky-Golay 光谱平滑方法)对模型检测结果的影响。根据预测平方根误差(RMSEP)和相关系数(r2)进行不同模型的预测性能评价,建立的最好的柑橘水果SSC预测模型的RMSEP＝0.538%,r2＝0.896。结果表明Vis/NIR可以作为一种准确、快速的无损检测方法来评价柑橘类水果的可溶性固形物含量。     

近红外光谱的水稻抗性淀粉含量测定研究

用化学法测定水稻抗性淀粉含量耗时长、成本高,为此,探索了基于近红外光谱技术(NIRS)的水稻抗性淀粉含量测定新途径。首先,采集了62份抗性淀粉含量差异较大的水稻的光谱数据,将光谱数据和已测定的化学值数据导入化学计量学软件,采用偏最小二乘法(PLS)建立了抗性淀粉含量的近红外定标模型,对不同预处理得到的预测模型进行了内部验证和外部验证。结果如下：内部交叉验证方面,未处理、MSC+1thD预处理、1thD +SNV预处理的决定系数(R2)分别为0.920 2,0.967 0,0.976 7,预测均方根误差(RMSEP)分别为1.533 7,1.011 2,0.837 1。外部验证方面,未处理、MSC+1thD预处理和1thD +SNV预处理的决定系数(R2)分别为0.805,0.976,0.992,绝对误差平均值分别为1.456,0.818,0.515,预测值和化学值之间没有显著差异(Turkey法多重比较),说明以近红外光谱分析法代替化学测定法是有可能的。在不同预处理方法之中,1thD+SNV的预处理方法无论内部验证还是外部验证都具有较高的决定系数和较低的误差值,定标模型精度更高,误差更小。     

GA-PLS结合PC-ANN算法提高奶粉蛋白质模型精度

提出一种偏最小二乘法(PLS)和人工神经网络(ANN)结合用于近红外光谱(NIRS)的分析方法,以提高奶粉蛋白质模型的预测精度。首先采用基于遗传算法的波长选择法(RS-GA)优化光谱数据,建立GA-PLS模型预测奶粉蛋白线性部分;然后在RS-GA法选择的波段上进行主成分分析(PCA),以主成分的得分矩阵作为ANN模型输入层,以GA-PLS预测值与真实值之差作为输出层,建立PC-ANN模型预测其非线性部分。最终预测结果为两个模型预测值之和,以模型的预测标准偏差(RMSEP)作为评价指标,以便考察新方法的有效性。同时建立线性的全谱模型(Fr-PLS),其Fr-PLS、GA-PLS和GA-PLS+PC-ANN模型的RMSEP分别为0.511,0.440和0.235。结果表明：考虑奶粉蛋白含量近红外模型的非线性部分,可以显著提高模型的预测精度,该方法也可为其它复杂体系模型精度的提高提供借鉴。     

近红外光谱定量检测腌腊肉制品品质的研究

以中国传统腌腊肉为对象,研究用近红外光谱分析技术快速准确检测肉制品品质的可行性。腊肉是富含脂肪的肉制品,其酸价是目前国标中必须检测的品质指标,它可以反映腊肉在加工储藏过程中脂肪氧化酸败的情况, 对腊肉的品质尤为重要。腊肉样品经过简单的粉碎后在BRUKER傅里叶变换近红外光谱仪上扫描,获得其近红外光谱参照国标法测定酸价和水分含量,采用附加散射校正光谱预处理方法,建立了腊肉酸价和水分含量的PLS回归模型。酸价模型预测集中样品的预测值与标准值的相关系数r2为0.98,预测标准差RMSECV为0.25;水分含量模型预测集中样品的预测值与标准值的r2为0.90,RMSECV为0.02。成对t检验统计结果表明近红外光谱分析技术可以用于腊肉制品品质的快速检测。     

牛奶中三聚氰胺的可见/近红外光谱快速判别分析方法的研究

为探讨基于可见一近红外光谱技术快速检测牛奶中是否含有三聚氰胺的可行性.文章通过往液态奶中添加不同含量的三聚氰胺,共制备样本160个.利用Handheld Field Spec光谱仪获取样本光谱,其后采用不同的预处理方法对光谱数据进行预处理,然后分别建立数学模型,比较模型的好坏,得到采用移动平均平滑作为数据的预处理方法较好.从160个样本中随机的取出120个样本建模,剩下的40个样本作为独立的验证集.采用偏最小二乘回归法(PLS)和最小二乘支持向苗机法(LS-SVM)方法分别建立判别分析模型,利用独立的验证集对判别模型进行了预测验证.预测结果的预测相关系数(R2)分别为0.917 4(PLS)和0.910 9(LS-SVM),预测标准误差(RMSEP)分别为0.030 4(PLS)和0.046 7(LS-SVM).研究结果表明近红外反射光谱可以作为一种快速检测牛奶中三聚氰胺的方法.     

基于漫反射高光谱成像技术的哈密瓜糖度无损检测研究

利用高光谱成像系统获得网纹类哈密瓜糖度漫反射光谱信息,选择有效波段500～820 nm进行哈密瓜糖度检测建模回归分析。对比了多元散射信号修正和标准正则变换校正方法,原始光谱、一阶微分、二阶微分光谱预处理方法对建模精度的影响;采用偏最小二乘法、逐步多元线性回归和主成分回归方法对比分析了带皮哈密瓜和去皮哈密瓜糖度检测模型效果。结果表明,对原始光谱经过MSC和一阶微分光谱处理后,采用PLS和SMLR方法均可取得很好的建模效果,应用PLS法检测带皮哈密瓜糖度是可行的,其校正集相关系数(R_c)为0.861,RMSEC为0.627,预测集相关系数(R_p)为0.706,RMSEP为0.873;应用SMLR法检测去皮哈密瓜糖度效果最佳,校正集相关系数(R_c)为0.928,RMSEC为0.458,预测集相关系数(R_p)为0.818,RMSEP为0.727。研究表明,应用高光谱成像技术检测哈密瓜糖度具有可行性。     

Investigation of the photoelectronic properties of nanocrystalline carbon- and nitrogen-doped titanium dioxide

This paper reports the results of the study of photoelectronic properties of nanocrystalline titanium dioxide doped with carbon and nitrogen. Photo-generated paramagnetic radicals were detected and identified in nanocrystalline titanium dioxide by the electron paramagnetic-resonance method. The concentrations of the radicals versus the carbon and oxygen content were determined in the dark and under light exposure. The presence of C and CO ₂ ^? -radicals in carbon-doped titanium dioxide and mainly N and NO radicals in nitrogen-doped titanium dioxide is shown. The concentration of the radicals increases under light exposure, which indicates the recharging processes of electronic states in the bandgap, due to the presence of a dopant, accompanied by generation of paramagnetic particles. The electron paramagnetic resonance data correlate with the kinetics of formaldehyde decomposition on the titanium dioxide samples under study.     

Surface characterisation and electrochemical behaviour of porous titanium dioxide coated 316L stainless steel for orthopaedic applications

Porous titanium dioxide was coated on surgical grade 316L stainless steel (SS) and its role on the corrosion protection and enhanced biocompatibility of the materials was studied. X-ray diffraction analysis (XRD), atomic force microscopy (AFM), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDAX) were carried out to characterise the surface morphology and also to understand the structure of the as synthesised coating on the substrates. The corrosion behaviour of titanium dioxide coated samples in simulated body fluid was evaluated using polarisation and impedance spectroscopy studies. The results reveal that the titanium dioxide coated 316L SS exhibit a higher corrosion resistance than the uncoated 316L SS. The titanium dioxide coated surface is porous, uniform and also it acts as a barrier layer to metallic substrate and the porous titanium dioxide coating induces the formation of hydroxyapatite layer on the metal surface.     

纳米二氧化钛介孔微球光催化降解水中BPA的机理

描述了两种不同三维二氧化钛介孔球对水悬浮液中BPA的光降解效果,结果发现紫外线照射下两种三维二氧化钛介孔球的光催化效果要优于P25型二氧化钛,且微球孔隙越小,对BPA的降解效果越好;运用HPLC-MS以及HPLC-MS-MS联用技术对降解中间产物进行定性分析,并且对BPA光催化降解机理进行分析。发现在光催化降解过程中形成5种主要的中间产物并对它们的演变过程进行了讨论。根据分析测定得到的降解中间产物,提出了一个关于两种二氧化钛介孔球光催化剂对BPA降解的详细路径。     

Steady state and time resolved laser-induced fluorescence of garlic plants treated with titanium dioxide nanoparticles

The study involves investigation of the effect of the interaction of titanium dioxide nanoparticles with garlic plant by spectroscopy techniques. For this, garlic plants have been grown in the laboratory under controlled conditions of light flux, temperature, humidity, and nutrient media. The growth and biomass parameters in terms of shoot length, fresh, and dry mass are found to increase upon the treatment of titanium dioxide nanoparticles while a reduction is observed in the root length of the garlic plants. The steady state laser-induced fluorescence, time resolved laser-induced fluorescence, and ultraviolet visible spectra of the control and titanium dioxide nanoparticles-treated plants have been acquired. The curve fitting data reveal that titanium dioxide nanoparticles decrease the intensity and fluorescence intensity ratio of red and far red chlorophyll fluorescence bands indicating increase in the photosynthetic activity and chlorophyll content. The evaluation of life time of the excited chlorophyll molecule shows that life time is effected by the treatment of the titanium dioxide nanoparticles. The results pertaining to ultraviolet visible measurement indicate increase in the concentration of chlorophyll a, chlorophyll b, total chlorophyll, carotenoid, and quercetin in the leaves of garlic plants treated with titanium dioxide nanoparticles.     

Rapid reduction of titanium dioxide nano-particles by reduction with a calcium reductant

Micro-, submicron-, and nano-scale titanium dioxide particles were reduced by reduction with a metallic calcium reductant in calcium chloride molten salt at 1173 K, and the reduction mechanism of the oxides by the calcium reductant was explored. These oxide particles, metallic calcium as a reducing agent, and calcium chloride as a molten salt were placed in a titanium crucible and heated under an argon atmosphere. Titanium dioxide was reduced to metallic titanium through a calcium titanate and lower titanium oxide, and the materials were sintered together to form a micro-porous titanium structure in molten salt at high temperature. The reduction rate of titanium dioxide was observed to increase with decreasing particle size; accordingly, the residual oxygen content in the reduced titanium decreases. The obtained micro-porous titanium appeared dark gray in color because of its low surface reflection. Micro-porous metallic titanium with a low oxygen content (0.42 wt%) and a large surface area (1.794 m² g⁻¹) can be successfully obtained by reduction under optimal conditions.     

Effect of titanium dioxide nanoparticles on polymer network formation

This work presents a study of the effect of nanoparticles on polymer composites to develop a powerful polymer dispersed liquid crystal materials. Tri propylene glycol diarcrylate/titanium dioxide nanocomposites were produced at various titanium dioxide fractions ranging between 0 and 1?wt%, through ultraviolet curing technique during 30?min. Different technics such as polarized optical microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermal gravimetric analysis were used to characterize the samples. A dynamic swelling of polymer network was also investigated. The evolution of the acrylic double-bond conversion shows a decrease in the absorption intensity at 1637?cm^?1. It is noted that the conversion rate decreases from 0.1 to 1?wt% of titanium dioxide nanoparticles. An increase in glass transition temperature is observed by differential scanning calorimetry. The thermogravimetric analysis results reveal a highly improved thermal stability upon the addition of the reinforcing phase. The follow of kinetics swelling of polymer network shows a decrease of the swell ratio with the inclusion of titanium dioxide nanoparticles.     

新鲜苹果汁可溶性固形物含量的傅里叶变换近红外光谱检测

用傅里叶变换近红外(FTNIR)光谱透射方式对新鲜苹果汁溶性固形物含量(SSC)进行了快速定量分析。实验共测定了60个果汁样品的SSC,并采集了样品的近红外光谱数据。42个样品用来建模,剩下的18个用来验证模型的性能。对实验室测得的SSC与FTNIR光谱数据进行相关性分析,以TQ 6.2.1定量分析软件中集成的主成分回归法(PCR)和偏最小二乘回归法(PLS)建立了检测模型。该研究对比了不同光谱范围内建立的检测模型的性能。根据预测平方根误差(RMSEP)和相关系数(r2)进行不同模型的预测性能,最好的新鲜苹果汁SSC预测模型的RMSEP＝0.603 0Brix,r2＝0.997。结果表明FT-NIR可以作为一种可靠、准确、快速的无损检测方法来评价新鲜果汁的可溶性固形物含量。     

Dye-sensitized solar cells with polymer bindings based on titanium dioxide

An urgent task in the field of sensitized solar cells (DSSC) is to decrease the temperature of thermal annealing of titanium dioxide photoanode. In this work, we use a titania based polymer as organic “polylinker,” which allows low temperature annealing. This polylinker, which is obtained by means of partial hydrolysis of titanium polybutyltitanate or tianium 2-methoxyethoxide allowed us to decrease the annealing temperature of titanium dioxide down to 150–180°C. This permits the manufacture of DSSC on flexible polymer substrates. DSSC samples with efficiency of energy conversion up to 1% are obtained.     

Surface bioactivity modification of titanium by CO2 plasma treatment and induction of hydroxyapatite: In vitro and in vivo studies

Since metallic biomaterials used for orthopedic and dental implants possess a paucity of reactive functional groups, bioactivity modification of these materials is challenging. In the present work, the titanium discs and rods were treated with carbon dioxide plasma and then incubated in a modified simulated body fluid 1.5SBF to obtain a hydroxyapatite layer. Surface hydrophilicity of samples, changes of surface chemistry, surface morphologies of samples, and structural analysis of formed hydroxyapatite were investigated by contact angle to water, X-ray photoelectron spectrometer (XPS), scanning electron microscopy (SEM), Fourier transform infrared (FTIR) and X-ray diffraction (XRD). The results demonstrated that hydrophilicity of titanium surface was improved and hydroxyl groups increased after modification with carbon dioxide plasma treatment. The hydroxyl groups on the surface of titanium were the richest after carbon dioxide plasma treatment under the condition of 20 W for less than 30 s. The hydroxyapatite formability of titanium surface was enhanced by carbon dioxide plasma pretreatment, which was attributed to the surface chemistry. MC3T3-E1 cell as a model cell was cultured on the Ti, CPT-Ti and CPT/SBF-Ti discs in vitro, and the results of the morphology and differentiation of the cell showed that CPT/SBF-Ti was the highest bioactive. The relative parameters of the new bone around the Ti and CPT/SBF-Ti rods including bone mineral density (BMD), a ratio of bone volume to total volume (BV/TV), trabecular thickness (Tb.Th.) and trabecular number (Tb.N.) were analyzed by a micro-computed tomography (micro-CT) after 4-, 8- and 12-week implantation periods in vivo. The results indicated that the CPT/SBF-Ti was more advantageous for new bone formation.     

近红外光纤光谱技术检测西红柿果浆总酸及可溶性糖的研究

为了探索一种简捷、快速、高效的西红柿品质检测方法,应用近红外光谱技术与光纤传感技术相结合的新方法,快速测量西红柿果浆样品中营养成分的含量。实验所用的主要仪器为近红外光纤光谱仪,波长范围为900～2 500 nm。以164个西红柿样品为标准样品,进行了光谱采集及相应的化学值测定。实验数据采用偏最小二乘法(PLS)进行回归,建立西红柿果浆中总酸及可溶性糖含量的数学模型,并对回归方法进行统计分析。结果为：西红柿果浆中总酸验证集的决定系数(R2)为0.967,均方根误差(RMSEC)为0.133,预测均方根误差(RMSEP)为0.103;总糖验证集的决定系数(R2)为0.976,均方根误差(RMSEC)为0.463,预测均方根误差(RMSEP)为0.460。均达到了较好的预测结果,表明该方法对定量分析西红柿果浆中多组分含量是可行的。基于该方法快速、简便及可对同一样品多组分含量同时分析的优点,它是一种极具发展前途的传感器,正在逐渐成为国际传感器领域的研究热点。