灰色Verhulst神经网络组合预测区域空域流量

能够对区域空域的流量做出准确的预测,可以为空中交通管理部门协调航班运行,减缓空域内航路的拥堵提供重要依据.运用灰色Verhulst模型与神经网络的组合模型对区域航班流量进行预测,并结合华东地区飞行流量的数据样本训练并测试模型.结果显示,由组合模型得出的流量预测值与实际值较吻合,说明组合模型比单种预测方法能够更为准确地对区域空域流量做出预测.     

Concurrent combined verification: reducing false positives in automated NMR structure verification through the evaluation of multiple challenge control structures

Automated structure verification using ¹H NMR data or a combination of ¹H and heteronuclear single‐quantum correlation (HSQC) data is gaining more interest as a routine application for qualitative evaluation of large compound libraries produced by synthetic chemistry. The goal of this automated software method is to identify a manageable subset of compounds and data that require human review. In practice, the automated method will flag structure and data combinations that exhibit some inconsistency (i.e. strange chemical shifts, conflicts in multiplicity, or overestimated and underestimated integration values) and validate those that appear consistent. One drawback of this approach is that no automated system can guarantee that all passing structures are indeed correct structures. The major reason for this is that approaches using only ¹H or even ¹H and HSQC spectra often do not provide sufficient information to properly distinguish between similar structures. Therefore, current implementations of automated structure verification systems allow, in principle, false positive results. Presented in this work is a method that greatly reduces the probability of an automated validation system passing incorrect structures (i.e. false positives). This novel method was applied to automatically validate 127 non‐proprietary compounds from several commercial sources. Presented also is the impact of this approach on false positive and false negative results. Copyright © 2012 John Wiley & Sons, Ltd.     

Methylol‐functional benzoxazines as precursors for high‐performance thermoset polymers: Unique simultaneous addition and condensation polymerization behavior

A new class of high‐performance resins of combined molecular structure of both traditional phenolics and benzoxazines has been developed. The monomers termed as methylol‐functional benzoxazines were synthesized through Mannich condensation reaction of methylol‐functional phenols and aromatic amines, including methylenedianiline (4,4′‐diaminodiphenylmethane) and oxydianiline (4,4′‐diaminodiphenyl ether), in the presence of paraformaldehyde. For comparison, other series of benzoxazine monomers were prepared from phenol, corresponding aromatic amines, and paraformaldehyde. The as‐synthesized monomers are characterized by their high purity as judged from ¹H NMR and Fourier transform infrared spectra. Differential scanning calorimetric thermograms of the novel monomers show two exothermic peaks associated with condensation reaction of methylol groups and ring‐opening polymerization of benzoxazines. The position of methylol group relative to benzoxazine structure plays a significant role in accelerating polymerization. Viscoelastic and thermogravimetric analyses of the crosslinked polymers reveal high T_g (274–343 °C) and excellent thermal stability when compared with the traditional polybenzoxazines. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Efficient monooleoyl glycerol synthesis employing hybrid ultrasonic-infrared-wave promoted reactor: Concurrent catalytic and noncatalytic esterification kinetics

For the first time, intensification of monooleoyl glycerol (MOG) synthesis has been investigated in an ultrasonic-infrared-wave (USIRW) promoted batch reactor. Esterification of octadecanoic acid (ODA) with glycerol (Gl) has been conducted [using Amberlyst 36 wet catalyst] in three different reactors, namely traditional batch reactor (TBR), infrared wave promoted batch reactor (IRWPBR), and USIRW-promoted batch reactor (USIRWPBR) to assess the relative efficacy. The energy-efficient USIRWPBR remarkably intensifies the ODA-Gl esterification as manifested through superior ODA conversion (92.5 ± 1.25%) compared to that achieved in IRWPBR (79.8 ± 1.2%) and TBR (36.39 ± 1.25%). The most favorable reaction condition for optimum ODA conversion and maximum MOG yield was identified through statistical optimization over a selected parametric range, namely 3-5 Gl/ODA mole ratio, 0.004-0.006 g/mL Amberlyst 36 catalyst concentration, 300-700 rpm impeller speed, and 333-353 K reaction temperature. The present study also reports the formulation and validation of an innovative reaction kinetics, that is, concurrent noncatalytic and heterogeneously catalyzed (CNCHC) reaction mechanism in addition to the conventional heterogeneous kinetic models (LH and Eley-Rideal mechanisms). Under combined USIRW, the CNCHC esterification mechanism could best describe ODA-Gl esterification (R² = 0.98) compared to LH (R² = 0.97) and Eley-Rideal (R² = 0.88) mechanisms. The optimal product (MOG) was characterized by differential scanning calorimetry and thermogravimetric analysis to assess its crystallization property and thermal stability for possible application as plasticizer/fuel additives.     

硅胶-氰丙基复合固相萃取柱分离原油中饱和烃及芳烃组分

探讨了硅胶-氰丙基(SiO2/C3-CN,(1 g/0.5 g,6 mL))复合固相萃取柱分离与净化原油中饱和烃和芳烃组分的方法。结果表明:SiO2/C3-CN复合固相萃取柱较单一硅胶(SiO2)小柱的分离效果好,仅使用4.5 mL正己烷和4.5 mL正己烷-二氯甲烷(1∶1)洗脱即可实现饱和烃和芳烃组分的完全分离与满意回收(回收率分别为98%和99%);而单一硅胶小柱存在低环数芳烃化合物(如萘及其甲基系列、苊等)与饱和烃组分的共洗脱现象。通过对原油实物样品的测定,饱和烃和芳烃组分在硅胶-氰丙基复合柱上经正己烷、正己烷-二氯甲烷(体积比1∶1)的洗脱行为与标准混合液完全一致,该方法实用可靠、流程简单、试剂消耗少、精密度良好(RSD为4.2%～8.5%),适用于石油样品中饱和烃和芳烃组分的定量分析。     

Alginate‐Based Microcapsules with a Molecule Recognition Linker and Photosensitizer for the Combined Cancer Treatment

A reactive template method was used to fabricate alginate‐based hydrogel microcapsules. The uniform and well‐dispersed hydrogel capsules have a high drug loading capacity. After they are coated by a folate‐linked lipid mixture on the surface, the capsules possess higher cell uptake efficiency by the molecule recognition between folate and the folate‐receptor overexpressed by the cancer cells. Moreover, in this bioconjugate, the lipid could remarkably reduce the release rate of hydrophilic doxorubicin from the hydrogel microcapsules and encapsulate the hydrophobic photosensitizer hypocrellin B. The biointerfaced capsules could be used as drug carriers for combined treatment against cancer cell proliferation in vitro; this was much more effective than chemotherapy or photodynamic therapy alone.     

Nutritional Value and Preventive Role of Nigella sativa L. and Its Main Component Thymoquinone in Cancer: An Evidenced-Based Review of Preclinical and Clinical Studies

In recent times, scientific attention has been paid to different foods and their bioactive components for the ability to inhibit the onset and progress of different types of cancer. Nigella sativa extract, powder and seed oil and its main components, thymoquinone and α-hederin, have showed potent anticancer and chemosensitizing effects against various types of cancer, such as liver, colon, breast, renal, cervical, lung, ovarian, pancreatic, prostate and skin tumors, through the modulation of various molecular signaling pathways. Herein, the purpose of this review was to highlight the anticancer activity of Nigella sativa and it constitutes, focusing on different in vitro, in vivo and clinical studies and projects, in order to underline their antiproliferative, proapoptotic, cytotoxic and antimetastatic effects. Particular attention has been also given to the synergistic effect of Nigella sativa and it constitutes with chemotherapeutic drugs, and to the synthesized analogs of thymoquinone that seem to enhance the chemo-sensitizing potential. This review could be a useful step towards new research on N. sativa and cancer, to include this plant in the dietary treatments in support to conventional therapies, for the best achievement of therapeutic goals.     

The Effects of a Third Generation Combined Oral Contraceptive Pill on the Classical Singing Voice

The success of professional operatic singers depends upon the quality of their vocal mechanism. This is known to be sensitive to changes in the endocrine environment. Despite a widespread belief among singers that vocal quality changes according to the stage of the menstrual cycle, this has received little attention. In particular, the possibility that use of the contraceptive pill might stabilize vocal quality by "dampening" hormonal fluctuations has not previously been studied systematically. Here, we show that drospirenone containing oral contraceptive pill (Yasmin, Schering AG, West Sussex, UK) with antiandrogenic and antimineralocorticoid properties demonstrates a significant reduction in the irregularity of the pattern of vibration of the vocal folds during the performance of highly trained classical singers. This study constitutes the first double blind, randomized placebo controlled trial to assess the effects of the contraceptive pill on the patterns of vibration of the vocal folds during the performance of Western classical singing repertoire.     

高韧性合金钢断裂韧性及疲劳裂纹扩展门槛值的联合试验方法

在柴油机曲轴、连杆等关键零部件的可靠性设计和失效评估中,断裂韧性及疲劳裂纹扩展门槛值分别是衡量材料抵抗裂纹失稳扩展和裂纹开始扩展的重要指标．但是,对于高韧性合金材料,难以通过常规试验所推荐的厚度确定平面应变断裂韧性,而门槛值的测定通常不但非常耗时,且难以直接应用于不同循环特性的实际结构．本文针对高韧性合金钢34CrNi3MoA,提出一种将断裂韧性和疲劳裂纹扩展门槛值试验合二为一的试验方法,即用同一个试件可以同时测定门槛值和断裂韧性．利用断裂韧性关于试件厚度的渐近特性,以几种较薄试件的试验,确定平面应变状态下的断裂韧性．试验结果还表明,裂纹扩展门槛值的试件厚度依存性可以忽略,并给出了任意循环特性（应力比）下的门槛值计算公式．     

Synchronization and coherent combining of two pulsed fiber lasers

We demonstrate a scalable architecture for coherent combining of pulsed fiber lasers.A new method for generating synchronous pulsed fiber lasers by direct phase modulation is proposed and investigated.It is shown that phase modulated mutually coupled laser array can be a steady synchronous pulsed fiber laser source.The synchronous pulsed fiber lasers are coherently combined with an invariable phase difference of π in adjacent lasers.Neither active phase control nor polarization control is taken in our experiment.