Toxic Effect of Fullerene and Its Derivatives upon the Transmembrane β2-Adrenergic Receptors

Numerous experiments have revealed that fullerene (C₆₀) and its derivatives can bind to proteins and affect their biological functions. In this study, we explored the interaction between fullerine and the β₂-adrenergic receptor (β₂AR). The MD simulation results show that fullerene binds with the extracellular loop 2 (ECL2) and intracellular loop 2 (ICL2) of β₂AR through hydrophobic interactions and π–π stacking interactions. In the C₆₀_in1 trajectory, due to the π–π stacking interactions of fullerene molecules with PHE and PRO residues on ICL2, ICL2 completely flipped towards the fullerene direction and the fullerene moved slowly into the lipid membrane. When five fullerene molecules were placed on the extracellular side, they preferred to stack into a stable fullerene cluster (a deformed tetrahedral aggregate), and had almost no effect on the structure of β₂AR. The hydroxyl groups of fullerene derivatives (C₆₀(OH)_X, X represents the number of hydroxyl groups, X = 4, 8) can form strong hydrogen bonds with the ECL2, helix6, and helix7 of β₂AR. The hydroxyl groups firmly grasp the β₂AR receptor like several claws, blocking the binding entry of ligands. The simulation results show that fullerene and fullerene derivatives may have a significant effect on the local structure of β₂AR, especially the distortion of helix4, but bring about no great changes within the overall structure. It was found that C₆₀ did not compete with ligands for binding sites, but blocked the ligands’ entry into the pocket channel. All the above observations suggest that fullerene and its derivatives exhibit certain cytotoxicity.     

Py-GC/MS分析技术与其在烟用中草药添加剂中的应用

通过热裂解实验,可以更加深入地了解卷烟燃吸过程中各个燃烧条件和整个烟气化学的关系,还可对不同温度下的裂解产物和作用机理进行研究。本文综述了裂解-气相色谱/质谱法在烟用中草药添加剂研究中的应用。     

用于长城等古建筑探测的NMR探测器的磁体设计

以万里长城为代表的古建筑是世界瑰宝,更是中华民族的象征和骄傲.本文提出利用便携式核磁共振（NMR）装置来探测研究这类古建筑的建筑材料,在不对其造成损伤的基础上,发掘其隐含的科学、技术和工程相关的丰富信息.为此,作为第一步,设计了适合于探测这类古建筑的便携式单边NMR探测器组合式磁体.该探测器的磁体结构以semi-Halbach为基础,通过不同磁体模块间的组合得到对应移动探测模式、长距离探测模式和均匀磁场探测模式的磁体结构.随后根据优化结果,设计加工了磁体组件,并采用该磁体进行了流体、长城城砖和现代红砖的NMR实验,实测结果与模拟一致.该组合式磁体的优点在于通过不同磁体模块组合,实现了多种探测方式,适用于探测长城等这类古建筑物需要多种探测模式的科学研究.     

Discriminant Analysis of the Nutritional Components between Organic Eggs and Conventional Eggs: A 1H NMR-Based Metabolomics Study

The difference of nutrient composition between organic eggs and conventional eggs has always been a concern of people. In this study, ¹H nuclear magnetic resonance (NMR) technique combined with multivariate statistical analyses was conducted to identify the metabolite different in egg yolk and egg white in order to reveal the nutritional components information between organic and conventional eggs. The results showed that the nutrient content and composition characteristics were different between organic and conventional eggs, among which the content of glucose, putrescine, amino acids and their derivatives were found higher in the organic eggs yolk, while phospholipids were demonstrated higher in conventional eggs yolk. Organic acid, alcohol, amine, choline and amino acids were higher in conventional eggs white, but glucose and lactate in organic egg were higher. Our study demonstrated that there are more nutritive components and higher nutritional value in organic eggs than conventional eggs, especially for the growth and development of infants and young children, and conventional eggs have more advantages in promoting lipid metabolism, preventing fatty liver, and reducing serum cholesterol. Eggs have important nutritional value to human body, and these two kinds of eggs can be selected according to the actual nutrient needs.     

Rapid Detection of Five Estrogens Added Illegally to Dietary Supplements by Combining TLC with Raman Imaging Microscope

Estrogens added illegally to dietary supplements are hazardous to human health. Traditional detection and analysis methods have many limitations, and we have developed an assay that combines thin-layer chromatography with Raman imaging microscopy (TLC-RIM). The five estrogens (estrone, estradiol, estriol, ethinyl estradiol, and diethylstilbestrol) were initially separated by TLC, then detected by area scanning Raman imaging with a 532 nm laser under a microscope. Raman spectra were obtained for each estrogen, which were used for detecting estrogen illegally added to botanical dietary supplements. The LOD of each estrogen was 0.4, 1.0, 0.8, 0.2, and 0.2 mg/mL, respectively. The matrix in the real sample did not interfere with the detection of estrogens. The method was fast, sensitive, stable, specific, and reliable.     

The Potential Antidepressant Action of Duloxetine Co-Administered with the TAAR1 Receptor Agonist SEP-363856 in Mice

Here, we explored the possible interaction between duloxetine and SEP-363856 (SEP-856) in depression-related reactions. The results showed that oral administration of duloxetine showed powerful antidepressant-like effects in both the forced swimming test (FST) and the suspension tail test (TST). SEP-856 orally administered alone also exerted an antidepressant-like effect in FST and TST, especially at doses of 0.3, 1, and 10 mg/kg. In addition, duloxetine (15 mg/kg) and SEP-856 (15 mg/kg) both showed antidepressant-like effects in the sucrose preference test (SPT). Most importantly, in the above experiments, compared with duloxetine alone, the simultaneous use of duloxetine and SEP-856 caused a more significant antidepressant-like effect. It is worth noting that doses of drug combination in FST and TST did not change the motor activities of mice in the open-field test (OFT). Thus, duloxetine and SEP-856 seem to play a synergistic role in regulating depression-related behaviors and might be beneficial for refractory depression.     

改进的三维电磁PIC系统模拟并行算法

为了更好地实现对大尺度器件的模拟,以及更系统地验证和解决高功率微波系统在设计和实验中负载变化等影响,在进一步深入研究电磁PIC并行算法的基础上,运用MPI消息传递函数做出了改进。提出了一种整体建模、分段解析的并行算法,并从并行时序算法入手,通过减少一次同步提高了计算的效率。最后经过一个磁绝缘线振荡器进行验证,改进的算法正确,并且当计算进程数4个增加到16个时,计算速度能提高2.5倍左右。     

基于冠层尺度的枣树色素含量的高光谱估算模型

植物冠层色素含量与氮素含量具有高度的相关性,是农业遥感中的关键研究因素。本研究的主要目的是：(1)对比偏最小二乘回归和支持向量机两种建模方法对枣树冠层色素的预测精度;(2)构建基于高光谱数据的枣树冠层色素含量定量反演模型,为枣树冠层色素含量的快速、无损、廉价、环保的测定提供一定的理论依据和技术支持。相关性分析结果表明,枣树冠层色素与高光谱数据之间具有较好的相关性,但叶绿素、叶绿素a要优于叶绿素b和类胡萝卜素。独立样本对模型的预测性能检验结果表明,偏最小二乘回归和支持向量机均能有效的估算枣树色素含量,但不同色素的偏最小二乘回归模型和支持向量机模型的预测精度存在一定的差异,叶绿素和类胡萝卜素的支持向量机模型的预测精度要高于偏最小二乘回归模型,而叶绿素a和叶绿素b则相反。比较不同色素的最佳反演模型的预测精度表明,叶绿素、叶绿素a和类胡萝卜素的预测精度要优于叶绿素b,前三者的决定系数大于0.8,残余预测误差高于2.0,平均相对误差低于13%,而叶绿素b的对应值分别为0.60%,20.79%和1.79%。     

熔石英后表面坑点型划痕对光场调制的近场模拟

建立了坑点型划痕的旋转抛物面模型, 用三维时域有限差分方法研究了熔石英后表面坑点型划痕随深度、 宽度、 间距以及酸蚀量变化对波长λ =355 nm入射激光的调制.研究表明, 这类划痕调制最强区位于相邻两坑点的连接区, 且越靠近表面调制越强.当其宽深比为2.0---3.5、 坑点间距约为坑点宽度的1/2时, 可获得最大光场调制, 最大光强增强因子(LIEF)为11.53; 当坑点间距大于坑点宽度时, 其调制大为减弱, 相当于单坑的场调制.对宽为60δ (δ =λ/12), 深和间距均为30δ的坑点型划痕进行刻蚀模拟, 刻蚀过程中最大LIEF为11.0, 当间距小于300 nm时, 相邻坑点由于衍射形成场贯通.     

Two localized CO2 laser treatment methods for mitigation of UV damage growth in fused silica

Two methods：high-power,short-time,single-shot irradiation（Method A） and low-power,long-time,multi-shot irradiation（Method B） are investigated to mitigate the UV damage growth in fused silica by using a 10.6-μm CO2 laser.To verify the mitigation effect of the two methods,the laser induced damage thresholds（LIDTs） of the mitigated sites are tested with a 355-nm,6.4-ns Nd：YAG laser,and the light modulation of the mitigation sites are tested with a 351-nm continuous Nd：YLF laser.The mitigated damaged sites treated with the two methods have almost the same LIDTs,which can recover to the level of pristine material.Compared with Method A,Method B produces mitigated sites with low crater depth and weak light modulation.In addition,there is no raised rim or re-deposited debris formed around the crater edge for Method B.Theoretical calculation is utilized to evaluate the central temperature of the CO2 laser beam irradiated zone and the radius of the crater.It is indicated that the calculated results are consistent with the experimental results.