重水浓度与吸光度关系曲线类型研究

重水作为反应堆的慢化材料，其浓度直接影响反应堆的安全和性能。为研究其重水浓度与吸光度间的关系曲线类型，基于朗伯-比尔定律，从理论上推导出液态重水中某种水分子的红外吸收峰分别与0~2种其他水分子的红外吸收峰发生重叠时重水浓度与吸光度间的关系式，分情况对二者之间的关系曲线类型进行讨论。采用傅里叶变换红外光谱仪，测得浓度为0.015%~99.98%（摩尔比）的重水标准样品吸收光谱，对重水浓度和吸光度间的关系曲线类型进行验证，理论推导与实际吻合。研究表明，一般情况下，宽浓度范围内，重水浓度与吸光度间的关系曲线类型为二次曲线；窄浓度范围内，关系曲线类型为线性。特殊情况下，吸光度为定值或关系曲线类型为线性。     

Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology

This work intends to develop an online experimental system for screening of deoxynivalenol (DON) contamination in whole wheat meals by visible/near-infrared (Vis/NIR) spectroscopy and computer vision coupling technology. Spectral and image information of samples with various DON levels was collected at speed of 0.15 m s⁻¹ on a conveyor belt. The two-type data were then integrated and subjected to chemometric analysis. Discriminant analysis showed that samples could be classified by setting 1000 μg kg⁻¹ as the cut-off value. The best correct classified rate obtained in prediction was 93.55% based on fusion of spectral and image features, with reduced prediction uncertainty as compared to single feature. However, quantification of DON by quantitative analysis was not successful due to poor model performance. These results indicate that, although not accurate enough to provide conclusive result, this coupling technology could be adopted for rapid screening of DON contamination in cereals and feeds during processing.     

基于超材料的无标记光学生物传感

超材料(metamaterials)因为能够在亚波长尺度范围内精细调控电磁波而受到人们广泛关注。超材料具有丰富的电磁模态,在表面支持高度局域场增强且对周围介电环境极其敏感,可应用于无标记光学生物传感领域。与传统光学生物传感器相比,超材料生物传感器具有小型化、集成化、高度灵敏、多功能可定制等突出优点。本文总结了近年来超材料生物传感器在可见光、近红外、中红外以及太赫兹波段的研究进展,包括折射率生物传感、表面增强拉曼散射、表面增强红外吸收和太赫兹生物传感等。     

Chemical bond characteristics and infrared reflectivity spectrum of a novel microwave dielectric ceramic CaIn2O4 with near-zero τf

Orthorhombic-structured CaIn₂O₄ ceramics with a space group Pca2₁ were synthesized via a solid-state reaction method. A high relative density (95.6 %) and excellent microwave dielectric properties (ε_r ～11.28, Qf = 74,200 GHz, τ_f ～ ?4.6 ppm/°C) were obtained when the ceramics were sintered at 1375 °C for 6 h. The dielectric properties were investigated on the basis of the Phillips–Van Vechten–Levine chemical bond theory. Results indicated that the dielectric properties were mainly determined by the InO bonds in the CaIn₂O₄ ceramics. These bonds contributed more (74.65 %) to the dielectric constant than the CaO bonds (25.35 %). Furthermore, the intrinsic dielectric properties of the CaIn₂O₄ ceramics were investigated via infrared reflectivity spectroscopy. The extrapolated microwave dielectric properties were ε_r ～10.12 and Qf = 112,200 GHz. Results indicated that ion polarization is the main contributor to the dielectric constant in microwave frequency ranges.     

Luminescent properties and X-ray imaging result of Lu2O3:Eu structured scintillation film on YSZ single crystal substrate by LCVD method

Micro-columnar structured europium doped lutecia (Lu₂O₃:Eu) scintillation film is one of the most attractive candidate materials for high-energy hard X-ray imaging detectors because of their excellent physical, scintillation properties and light guide effect. Lu₂O₃:Eu micro-columnar film (MCF) with 9 μm thickness was obtained on a yttrium stabilized zirconia (YSZ) (100) single crystal substrate by laser chemical vapor deposition (LCVD), and its structure, morphology, photoluminescence and scintillation properties were characterized. The structure and morphology of obtained film were investigated by grazing incidence X-ray diffraction (GIXRD) and scan electron microscopy (SEM). The photoluminescence and scintillation properties, including photoluminescence excitation (PLE), photoluminescence (PL), PL decay, X-ray excited luminescence (XEL), were measured and discussed. The X-ray imaging result of Lu₂O₃:Eu MCF on YSZ substrate was obtained for the first time and spatial resolution of 2 μm was obtained at BL13W beamline at Shanghai synchrotron radiation facility (SSRF).     

Experimental investigation of Co and Fe-Doped CuO nanostructured electrode material for remarkable electrochemical performance

The current research work presents a facile and cost–effective co-precipitation method to prepare doped (Co & Fe) CuO and undoped CuO nanostructures without usage of any type of surfactant or capping agents. The structural analysis reveals monoclinic crystal structure of synthesized pure CuO and doped-CuO nanostructures. The effect of different morphologies on the performance of supercapacitors has been found in CV (cyclic voltammetry) and GCD (galvanic charge discharge) investigations. The specific capacitances have been obtained 156 (±5) Fg^?1, 168(±5) Fg^?1 and 186 (±5) Fg^?1 for CuO, Co-doped CuO and Fe-doped CuO electrodes, respectively at scan rate of 5 mVs^?1, while it is found to be 114 (±5) Fg^?1, 136 (±5) Fg^?1 and 170 (±5) Fg^?1 for CuO, Co–CuO and Fe–CuO, respectively at 0.5 Ag^-1 as calculated from the GCD. The super capacitive performance of the Fe–CuO nanorods is mainly attributed to the synergism that evolves between CuO and Fe metal ion. The Fe-doped CuO with its nanorods like morphology provides superior specific capacitance value and excellent cyclic stability among all studied nanostructured electrodes. Consequently, it motivates to the use of Fe-doped CuO nanostructures as electrode material in the next generation energy storage devices.     

Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors

The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H₂ results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the ¹H NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan ¹H NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide.