全透射近红外光谱的苹果整果糖度在线检测模型优化

光谱质量、样本个体差异、检测系统和建模算法等多种因素共同决定水果糖度检测模型的预测精度和稳定性。采用自主研发的短积分全透射近红外在线检测系统以5 ms积分时间和0.5 m·s-1运行速度在线获取了“富士”苹果全透射光谱信号。不同姿态获取的透射光谱强度差异明显,但曲线走势相近,均在920 nm波段具有最大的光谱强度,在850 nm波段存在波谷。采用移动平均平滑、标准正态变量变换和多元散射校正等预处理方法有效去除原始光谱的随机噪声和基线偏差,减小了样本检测姿态引起的光谱差异。为分析不同检测姿态对苹果整果糖度预测模型的影响,构建了单一姿态局限模型和多姿态通用模型,结果表明基于全位点平均透射光谱构建的单一姿态局限模型对检测姿态具有很大的局限性,而多姿态通用模型预测能力较单一检测姿态相当,但却对不同的检测姿态具有更强的适用能力。为进一步提高光谱信号质量,优化模型预测能力,采用信号强度阈值优选方法实现了苹果整果糖度预测模型优化,发现移除中央位点获取的透射光谱信号,有利于提高苹果整果糖度预测模型精度。多姿态通用信号强度优化模型综合考虑不同姿态获取的光谱信息有效性,有效提升了通用信号强度优化模型的预测能力和稳定性,当多姿态通用模型中信号强度阈值为5 000时,模型预测性能最佳,其预测参数R_p,RMSEP和RPD分别为0.79,0.84%和1.58。表明短积分全透射近红外在线检测系统用于不同姿态苹果糖度预测是可行的,多姿态通用模型的建立,扩大了模型在不同姿态的预测稳健性,短积分光谱采集方式结合信号强度阈值优选方法提升了光谱信号的质量和模型的预测能力。     

一维线性非共轭石墨烯基(CH2)n分子链的电子输运

一维非共轭烷烃链虽不具富电子或少电子特征,但常存在于单分子器件或多肽、蛋白质等生物分子中,对电子传输产生重要影响.为理解这类物质的电子输运特征,本研究设计了一维线性非共轭(CH2)n分子结模型,并利用密度泛函理论结合非平衡态格林函数的方法,对(CH2)n(n=1—12)线性分子链与两个石墨烯电极耦合而成的分子结进行了第...     

A Calixarene Assembly Strategy of Combined Anti-Neuroinflammation and Drug Delivery Functions for Traumatic Brain Injury Therapy

Excessive inflammatory reaction aggravates brain injury and hinders the recovery of neural function in nervous system diseases. Microglia, as the major players of neuroinflammation, control the progress of the disease. There is an urgent need for effective non-invasive therapy to treat neuroinflammation mediated by microglia. However, the lack of specificity of anti-inflammatory agents and insufficient drug dose penetrating into the brain lesion area are the main problems. Here, we evaluated a series of calixarenes and found that among them the self-assembling architecture of amphiphilic sulfonatocalix[8]arene (SC8A12C) had the most potent ability to suppress neuroinflammation in vitro and in vivo. Moreover, SC8A12C assemblies were internalized into microglia through macropinocytosis. In addition, after applying the SC8A12C assemblies to the exposed brain tissue, we observed that SC8A12C assemblies penetrated into the brain parenchyma and eliminated the inflammatory factor storm, thereby restoring neurobiological functions in a mouse model of traumatic brain injury.     

Room-Temperature Magnetism Realized by Doping Fe into Ferroelectric LiTaO3

We synthesize LiTal-x FexO3-σ （LTFO） remain single phase up to x = 0.09 ceramics by the conventional solid-state reaction method. The samples The magnetic measurements show that the doping of Fe successfully realizes ferromagnetism of LTFO at room temperature. The dielectric measurements indicate that LTFO is ferroelectric, similarly to LiTaO3 （LTO）, but its ferroelectric Curie temperature seems to decrease with the increasing Fe content. By means of doping Fe ions into LTO, the coexistence of spontaneous electric polarization and spontaneous magnetic moment is realized at room temperature.     

Interaction of light filaments in air

This paper analytically investigates the interaction of light filaments generated by a femtosecond laser beam in air. It obtains the Hamiltonian of a total laser field and interaction force between two filaments with different phase shifts and crossing angles. The property of the interaction force, which leads the attraction or repulsion of filaments, is basically dependent on the phase shift between filaments. The crossing angle between two filaments can only determine the magnitude of the interaction force, but does not change the property of the force.     

Effects of Organic Acids on the Release of Fruity Esters in Water: An Insight at the Molecular Level

It is well known that organic acids (OAs) could affect the flavour of fruit juices and beverages. However, the molecular mechanism of aroma release is still unclear. In this study, the effects of citric acid (CA), L-(-)-malic acid (MA) and L-lactic acid (LA) on the release of six selected esters and their sensory perception were investigated by means of HS-GC-MS analyses and odour detection threshold determination, respectively. Meanwhile, the density functional theory (DFT) calculation was employed to explore the interaction modes between esters and OAs. HS-GC-MS analyses showed that the concentration and the type of OAs regulated the release of esters. The results were basically consistent with the detection threshold change of those esters. The DFT calculation suggested that the main intermolecular interaction was hydrogen bonds, and several esters could form a ternary ring structure with OAs through hydrogen bonds. The interactions can induce the different release behaviours of esters in OAs water solution. The number of carboxyl functional groups in OAs and the spatial conformation of esters appeared to influence the magnitude of the interaction. The above results demonstrated the mechanism of OAs affecting the release of esters and indicated a possible flavour control way by using different OAs and OA concentrations.     

Multilayer Films with Nanocontainers: Redox‐Controlled Reversible Encapsulation of Guest Molecules

Stable multilayer films with cucurbit[8]uril have been fabricated on the basis of the alternating layer‐by‐layer assembly of a novel side‐chain pseudopolyrotaxane and a photoreactive polyanion. The as‐prepared multilayer films exhibit good properties as surface‐imprinted multilayers, because cucurbit[8]uril molecules that are locked inside the multilayers can act as nanocontainers with specific binding to certain guest molecules, and the loading and release of the guest is redox‐controllable and reversible.