可见-近红外高光谱成像结合化学计量学分辨人面部信息

人的面部信息与指纹和虹膜一样可以用于人的身份鉴别,并且相比之下更容易实现远距离的分辨和识别。利用高光谱成像技术可以应用到人脸识别领域并获取丰富的信息和庞大的成像数据量,需要采用化学计量学方法才能充分提取其中包含的有效信息,并为计算机识别奠定基础。研究了可见-近红外高光谱成像技术对人的面部信息进行分析的可行性。结果表明,多元曲线分辨-交替最小二乘方法不同于主成分分析,能够通过主成分纯光谱和相对浓度等具有具体物理化学意义的数据表征人的面部信息,而且可以方便地根据成像数据的特点施加运算中的约束。另外,采用偏最小二乘判别分析的方法实现了对不同肤色的皮肤信号光谱进行分类。白种人和黄种人的面部高光谱信息特征相似,分类难度高于深色皮肤人种。     

共振光散射法测定环境水样中痕量锡

基于在Tris-HCl介质中,痕量锡对氯酚红-人血白蛋白-十二烷基硫酸钠体系的共振散射光谱有明显的猝灭作用;考察了它们的光谱特征、影响因素和适宜的反应条件;确定了散射光强度与Sn2 的关系,从而建立了测定痕量锡的共振光散射新方法.该法在室温下进行,操作方便,灵敏度高和选择性好.其线性范围为0.2-4.0μg/L,检出限0.12μg/L,用于环境水样中痕量Sn2 的测定,相对标准偏差小于3.1%,加标回收率为95.5%-100.5%,效果良好.     

良性前列腺增生组织对钛宝石激光的吸收和散射特性

研究了经尿道等离子体双极电切除术(PKRP)切除和经尿道前列腺电切术(TURP)切除的前列腺增生(BPH)组织对640, 660, 680, 700, 720, 740, 760, 780, 800, 820, 840, 860和880 nm波长的钛宝石激光的光学特性及其差异,实验采用双积分球测量系统以及反向倍增法获取BPH组织的吸收和散射特性参数。结果表明：PKRP和TURP切除的BPH组织对这1３个不同波长的激光的吸收系数和约化散射系数都是随着激光波长增大而明显减小的,PKRP切除的BPH组织对这同一波长的激光的吸收系数和约化散射系数都明显较TURP切除的BPH组织对相应的波长的激光的吸收系数和约化散射系数要小,PKRP和TURP切除的BPH组织的吸收系数以及约化散射系数的最大值都在640 nm,其值分别为(0.885±0.022)和(0.955±0.024)mm-1以及(1.564±0.039)和(1.658±0.042)mm-1,其差异分别为7.91%以及6.01%,其最小值都在880 nm,其值分别为(0.443±0.011)和(0.455±0.011)mm-1以及(1.117±0.028)和(1.197±0.030)mm-1,其差异分别为2.71%以及7.16%。PKRP和TURP切除的BPH组织对660 nm的吸收系数的差异最大,其值为8.95%,其差异最小在860 nm,其值为1.75%,PKRP和TURP切除的BPH组织对800 nm的约化散射系数的差异最大,其值为9.13%,其差异最小在640 nm,其值为6.01%。     

Interaction of nobiletin with human serum albumin studied using optical spectroscopy and molecular modeling methods

The binding of nobiletin to human serum albumin (HSA) was investigated by fluorescence, UV-vis, FT-IR, CD, and molecular modeling. Fluorescence data revealed the presence of a single class of binding site on HSA and its binding constants (K) at four different temperatures (289, 296, 303 and 310 K) were 4.054, 4.769, 5.646 and 7.044×10⁴ M⁻¹, respectively. The enthalpy change (ΔH⁰) and the entropy changes (ΔS⁰) were calculated to be 1.938 kJ mol⁻¹ and 155.195 J mol⁻¹ K⁻¹ according to the Van’t Hoff equation. The binding average distance, r, between the donor (HSA) and the acceptor (nobiletin) was evaluated and found to be 2.33 nm according to the Förster's theory of non-radiation energy transfer. Changes in the CD and FT-IR spectra were observed upon ligand binding along with a significant degree of tryptophan fluorescence quenching on complex formation. Computational mapping of the possible binding sites of nobiletin revealed the molecule to be bound in the large hydrophobic cavity of subdomain IIA.     

荧光光谱法研究Hg(Ⅱ)与牛血清白蛋白的相互作用

在pH为7.15、离子强度为0.15mol/L的NaCl溶液条件下,采用荧光光谱法研究了Hg（Ⅱ）与牛血清白蛋白的相互作用。实验结果表明,Hg（Ⅱ）对牛血清白蛋白的荧光强度猝灭机理是一种静态猝灭,且Hg2＋与牛血清白蛋白结合的位点数为2,表观络合常数（K）为2.468×10^10L^2·mol^-2。     

Interaction of the docetaxel with human serum albumin using optical spectroscopy methods

Docetaxel is a semi-synthetic product derived from the needles of the European yew. It is an antineoplastic agent belonging to the taxoid family. The interaction between docetaxel and human serum albumin (HSA) has been investigated systematically by the fluorescence quenching technique, synchronous fluorescence spectroscopy, ultraviolet (UV)-vis absorption spectroscopy, circular dichroism (CD) spectroscopy and Fourier transform infrared (FT-IR) under physiological conditions. Our fluorescence data showed that HSA had only one docetaxel binding site and the binding process was a static quenching procedure. According to the Van’t Hoff equation, the thermodynamic parameters standard enthalpy (ΔH⁰) and standard entropy (ΔS⁰) were calculated to be −41.07 KJ mol⁻¹ and −49.72 J mol⁻¹ K⁻¹. These results suggested that hydrogen bond was the predominant intermolecular force stabling the docetaxel-HSA complex. The data from the CD, FT-IR and UV-vis spectroscopy supported the change in the secondary structure of protein caused by the interaction of docetaxel with HSA.     

Physical reasons of emission transformation in infrared CdSeTe/ZnS quantum dots at bioconjugation

The core/shell CdSeTe/ZnS quantum dots (QDs) with emission at 780–800 nm (1.55–1.60 eV) have been studied by means of photoluminescence (PL) and Raman scattering methods in the nonconjugated state and after conjugation to different antibodies (Ab): (i) mouse monoclonal [8C9] human papilloma virus Ab, anti-HPV 16-E7 Ab, (ii) mouse monoclonal [C1P5] human papilloma virus HPV16 E6+HPV18 E6 Ab, and (iii) pseudo rabies virus (PRV) Ab. The transformations of PL and Raman scattering spectra of QDs, stimulated by conjugated antibodies, have been revealed and discussed.The energy band diagram of core/shell CdSeTe/ZnS QDs has been designed that helps to analyze the PL spectra and their transformations at the bioconjugation. It is shown that the core in CdSeTe/ZnS QDs is complex and including the type II quantum well. The last fact permits to explain the nature of infrared (IR) optical transitions (1.55–1.60 eV) and the high energy PL band (1.88–1.94 eV) in the nonconjugated and bioconjugated QDs. A set of physical reasons has been analyzed with the aim to explain the transformation of PL spectra in bioconjugated QDs. Finally it is shown that two factors are responsible for the PL spectrum transformation at bioconjugation to charged antibodies: (i) the change of energy band profile in QDs and (ii) the shift of QD energy levels in the strong quantum confinement case. The effect of PL spectrum transformation is useful for the study of QD bioconjugation to specific antibodies and can be a powerful technique for early medical diagnostics.     

Thresholding in correlation analyses of magnetic resonance functional neuroimaging

The definition of objective and effective thresholds in MRI of human brain function is a crucial step in the analysis of paradigm-related activations. This paper introduces a user-independent and robust procedure that calculates statistical parametric maps based on correlation coefficients. Thresholds are introduced as p values and defined with respect to the physiologic noise distribution of the individual maps. Experimental examples from the human visual and motor system rely on dynamic acquisitions of gradient-echo echo-planar images (2.0 T, TR = 2000 ms, 96 × 128 matrix) with blood oxygenation level-dependent contrast. The results demonstrate the disadvantages of thresholding with fixed correlation coefficients. In contrast, taking the individual noise into account allows for a derivation of p values and a reliable identification of highly significant activation centers. An adequate delineation of the spatial extent of activation may be achieved by adding directly neighboring pixels provided their correlation coefficients comply with a second lower p value threshold.     

芦丁与血清白蛋白的作用研究

采用荧光光谱和紫外光谱研究了抗炎药物芦丁与牛血清白蛋白 (BSA)和人血清白蛋白 (HSA)的相互作用。通过二者荧光光谱的变化 ,求得药物与白蛋白作用的形成常数。探讨了它们之间的主要作用力类型。     

Characterization of the interaction between human lactoferrin and lomefloxacin at physiological condition: Multi-spectroscopic and modeling description

The interaction between lomefloxacin (LMF) and human lactoferrin (Hlf) was studied by using fluorescence, circular dichroism (CD) spectroscopic and molecular modeling measurements. By the fluorescence quenching results, it was found that the binding constant K_A=8.69×10⁵ L mol⁻¹, and number of binding sites n=1.75 at physiological condition. Experimental results observed showed that the binding of LMF to Hlf induced conformational changes of Hlf. The participation of tyrosyl and tryptophanyl residues of protein was also estimated in the drug-Hlf complex by synchronous fluorescence. The quantitative analysis data of far-UV CD spectra from that of the α-helix 37.4% in free Hlf to 30.2% in the LMF-Hlf complex further confirmed that secondary structure of the protein was changed by LMF. Near-UV CD showed perturbations around tryptophan and tyrosine residues which involves perturbations of tertiary structure. The thermodynamic parameters like, ΔH° and ΔS°, have been calculated to be 63.411 kJ mol⁻¹ and 231.104 J mol⁻¹ K⁻¹, respectively. Thermodynamic analysis showed that hydrophobic interactions were the main force in the binding site but the hydrogen bonding and electrostatic interaction could not be excluded which in agreement with the result of molecular docking study. The distance r between donor and acceptor was obtained according to fluorescence resonance energy transfer (FRET) and found to be 1.78 nm. The interaction between LMF and Hlf has been verified as consistent with the static quenching procedure and the quenching mechanism is related to the energy transfer. Furthermore, the study of molecular modeling that LMF could bind to the α-helixes between Pro145-Asn152 and Phe167-Gln172 regions and hydrophobic interaction was the major acting force for the binding site, which was in agreement with the thermodynamic analysis.