Fasciculide-A,a New Sesquiterpene Lactone from Vernonia Fasciculata Michx

A new sesquiterpene lactone, fasciculide-A, was isolated from the chloroform extract of the leaves of Vernonia fasciculata Michx. The structure of fasciculide-A, 1, is deduced by interpretation of the spectroscopic data.     

Assignment of the 1H and 13C NMR Spectra of a New Antibacterial Bisabolane Sesquiterpene by Two-Dimensional NMR Techniques

A new antibacterial bisabolane sesquiterpene, 1β-acetoxy-2β,8-diangeloyloxy-3β-hydroxy-4α-cbioro-10,11-expoxybisabol-7(14)-ene (1), was isolated from Ligularia thyrsoidea and its structure was elucidated by 2D NMR techniques.     

2D NMR对栌菊木中的一个倍半萜内酯进行结构解析

通过核磁共振对一个首次从菊科单种属植物-栌菊木中分离得到的乌药烷型倍半萜内酯-8β, 9-dihydro-onoseriolide进行了结构解析,通过2D NMR (HSQC,HMBC,NOESY )首次对该化合物的碳和氢质子信号进行全归属;并证实其结构中的 H-1,H-2 互为颠倒,纠正了文献报道中的错误,该研究对乌药烷骨架倍半萜内酯的结构鉴定提供了光谱学依据.     

超声辅助法提取刘寄奴黄酮类化合物的工艺

采用超声辅助法提取刘寄奴中的黄酮类化合物,通过单因素试验和正交试验,研究了超声辅助法提取条件(超声波功率、乙醇体积分数、提取温度、提取时间)对刘寄奴黄酮类化合物提取率的影响。结果表明,刘寄奴黄酮类化合物的最佳提取工艺条件为:超声波功率200W、乙醇体积分数80%、提取温度40℃、提取时间45min,在此工艺条件下刘寄奴黄酮类化合物的提取率可达63.27mg/g。     

Mechanically Robust,Electrically Conductive Biocomposite Films Using Antimicrobial Chitosan‐Functionalized Graphenes

An effective way of covalently functionalizing graphene with a chitosan polymer via a nitrene chemistry is demonstrated. The biofunctionalized graphene is prepared by the chemical reduction of graphene oxide using a nitrene chemistry, and then covalently grafting chitosan to the graphene surface. The effectiveness of the biofunctionalized graphene as a reinforcing filler (4 wt%) in a chitosan polymer matrix is verified by the dramatic enhancement of the mechanical properties (breaking stress = 330%, Young's modulus = 243%) and the electrical conductivity (0.3 S m^?1) without much loss in the elongation‐at‐break. The reinforcing effect can be explained by both the homogeneous dispersion of graphene within the matrix and the strong bond arising from the intrinsically intimate contact between the graphene and the matrix. The high antimicrobial activity of the biofunctionalized graphene compared with graphene oxide and chemically reduced graphene may be because of the presence of chitosan polymer on the edges of the graphene. The strong, antimicrobial graphene‐filled composite film can be used for food packaging and for coating various biomedical devices, where bacterial surface colonization is undesirable.     

Selective Antimicrobial and Antibiofilm Disrupting Properties of Functionalized Diamond Nanoparticles Against Escherichia coli and Staphylococcus aureus

Diamond nanoparticles (NDs) have demonstrated great promise as useful materials in a variety of biomedical settings. In this paper, the antimicrobial and antibiofilm activities of variously functionalized NDs against two common bacterial targets Gram‐negative bacterium Escherichia coli and Gram‐positive bacterium Staphylococcus aureus are compared. Hydroxylated (ND‐OH), aminated (ND‐NH₂), carboxylated (ND‐COOH), mannose (ND‐Mannose), tri‐thiomannoside (ND‐Man₃), or tri‐thiolactoside (ND‐Lac₃)‐modified NDs are fabricated and evaluated in the present work. Of these, the mannose‐modified NDs are found to interfere most strongly with the survival of S. aureus, but not to influence the growth of E. coli. In contrast, particles featuring lactosyl units have the opposite effect on S. aureus growth. Sugar‐functionalized NPs reported to display antibacterial effects are rare. Only ND‐COOH particles are seen to have any effect on the growth profile of E. coli, but the effects are moderate. On the other hand, both ND‐NH₂ and ND‐COOH are found to inhibit E. coli‐induced biofilm formation at levels comparable to the known E. coli biofilm disruptor, ampicillin (albeit at concentrations of 100 μg mL^?1). However, none of the modified particles examined here reveal any significant activity as disruptors of S. aureus‐induced biofilm formation even at the highest concentrations studied.     

Synthesis,Spectroscopic and Antimicrobial Studies of Lead (II) Complexes of Schiff Bases Derived From Amino Acids and Isatins

A new series of lead (II) complexes have been synthesized with Schiff bases derived from isatins and amino acids. These ligands act as bidentate species and coordinate to the metal atom through the azomethine nitrogen and carboxylate oxygen atom via deprotonation. The synthesized complexes have been characterized by elemental analysis, conductance measurements, and molecular weight determinations. The mode of bonding of the complexes has been suggested on the basis of infrared, UV-visible, and ¹H- and ¹³C-NMR spectroscopy, and probable structures have been assigned to these complexes. Few representative ligands and metal complexes have also been screened for their antifungal and antibacterial activities. Molecular modeling and analysis for bond lengths and bond angles have also been carried out for one of the representative compound, [Pb(L³)₂], to substantiate the proposed structures.     

一种新型的通用的SERS基底-核壳结构纳米子

为了进一步来提高SERS基底和分子的普适性,本文采取了一种"借力"的方法,设计合成了金核过渡金属薄壳(Au@Pd,Au@Pt,Au@Ni,Au@Co)的核壳结构纳米粒子,借用底层高SERS活性的金核强的电磁场来增强过渡金属表面吸附分子的SERS信号,使得过渡金属表面的增强因子可达104-105。系统地开展了不同壳层厚度及相同壳层厚度下金核大小对SERS活性影响的研究,发现随着壳层厚的增加SERS活性迅速衰减,而且当金核为120-140 nm时可以得到最强的增强。     

Synthesis,Thermal Behavior,and Antimicrobial Activity of a Novel Macrocycle and its Transition Metal Complexes Derived from Thiosemicarbazide

The present study reports the synthesis of Co(II), Ni(II), Mn(II), Cu(II), and Zn(II) complexes with a new macrocyclic ligand (L₂)- 1,2,8,9,11,14-hexaazacyclopentadeca-12,13-dioxo-10,15-dithione-2,7-diene. The macrocycle was derived from thiosemicabazone (L₁) and diethyloxalate that were prepared by the reaction of thiosemicarbazide and glutaraldehyde in the ratio of 2:1. The synthesized complexes and ligands were characterized by elemental analysis and molar conductance, magnetic susceptibility, ¹HNMR, IR, electronic, and thermogravimetric analyses. The molar conductance values confirmed that the Ni(II), Cu(II), Zn(II), Mn(II) and Co(II) complexes were 1:2 electrolytes. On the basis of electronic spectral studies and molar conductance measurements, the authors proposed an octahedral structure for Ni(II), Mn(II), and Co(II) complexes, tetrahedral geometry for Zn(II) complex, and square planar geometry for Cu(II) complex. The thermal behavior of the compounds was studied by TGA in a nitrogen atmosphere up to 750°C at the rate of 20°C/min. The TGA results revealed that the complexes had higher thermal stability than the macrocycle. All the synthesized compounds were screened against 4 bacteria (i.e., Streptococcus aureus, Escherichia coli, Bacillus subtillis, Salmonella typhimurium) and 2 fungi (i.e., Fusarium oryzae, Candida albicans). The results showed that the metal complexes inhibited the growth of bacteria to a greater extent as compared to the ligand.     

Caratuberside A2: A New Pregnane from Caralluma Tuberculata

A medicinal herb, Caralluma tuberculata (Asclepiadaceae), furnished a pregnane type compound, caratuberside A2. The sugar linkage was at C-14 which is a rare site of substitution. The structure was elucidated by spectroscopic means, including COSY-45, J-resolved, HMBC, HMQC, C-H correlation experiments and derivatization.     

Biridoside,A New Iridoid from Buddleja davidii

The methanolic extract of fresh and dried leaves of Buddleja davidii furnished a new iridoid glycoside, along with other known compounds. Spectroscopic techniques were utilized for the characterization of biridoside.     

A New Method for Generating Hydrogen from Water

A new method for generating hydrogen by the reaction of Al powder with water using iodine as additive is developed. 12 can penetrate through the surface oxide layer on aluminium to form AlI3. High solubility of AlI3 in water is benefited to activate Al surface. It is found that the production of hydrogen becomes significant above 60℃ and obeys a logarithm rule. The pH value which is determined mainly by the kinetics of hydration spontaneously. varies from 5 to 3 then back to 4.5 during the reaction, reaction of AlI3 and the reaction of Al and HI produced     

从一幅载频全息图中实现相位重构的新算法

为了实现对单幅载频下涉图进行相位重构.提出了一种避免相位"解包裹"的简易算法.该算法从载频干涉图中解出所求相位的两个偏导数,然后对两个偏导数积分从而得到所求的相位.利用该算法分别对计算机模拟的干涉图和实验所得干涉图进行相位重构,重构结果均表明该算法能够很好地从载频干涉图样中实现相化重构.并且由于避免了相位"解包裹"的过程,从而简化了相位重构的流程,同时也避免了由相位解包带来的错误或误差.此外,该方法在重构相位时,对干涉图中强度分布的不均匀性不敏感.     

A New Look at the Spin Glass Problem from a Deep Learning Perspective

Spin glass is the simplest disordered system that preserves the full range of complex collective behavior of interacting frustrating elements. In the paper, we propose a novel approach for calculating the values of thermodynamic averages of the frustrated spin glass model using custom deep neural networks. The spin glass system was considered as a specific weighted graph whose spatial distribution of the edges values determines the fundamental characteristics of the system. Special neural network architectures that mimic the structure of spin lattices have been proposed, which has increased the speed of learning and the accuracy of the predictions compared to the basic solution of fully connected neural networks. At the same time, the use of trained neural networks can reduce simulation time by orders of magnitude compared to other classical methods. The validity of the results is confirmed by comparison with numerical simulation with the replica-exchange Monte Carlo method.     

A novel strategy for producing nano-particles from date seeds and enhancing their phenolic content and antioxidant properties using ultrasound-assisted extraction: A multivariate based optimization study

Date seeds from the date palm fruit are considered as a waste and they are known to contain several bioactive compounds. Producing nanoparticles from the date seeds can enhances their effectiveness and their utilization as novel functional food ingredients. In this study, date seed nanoparticles (DSNPs) synthesized using acid (HCl) hydrolysis method (HCl concentration of 38% and hydrolysis time of 4 days) was found to have particle size between 50 and 150 nm. The obtained DSNPs were characterized by measuring particle size and particle charge (Zetasizer), morphology using scanning electron microscope (SEM), and determination of the functional groups using fourier-transform infrared spectroscopy (FTIR). DSNPs were further treated with green extraction technology [ultrasound-assisted extraction (UAE)] using water-based and methanol-based solvent for optimizing the extraction of the bioactive compounds by implementing response surface methodology (RSM). The UAE of DSNPs were analysed for set of responses including total phenolic content (TPC), total flavonoid content (TFC), 1,1-diphenyl-2-picrlthydrazyl (DPPH) radical scavenging activity, ferric ion reducing antioxidant power (FRAP), and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging activity. Three-factor and four-factor Box-Behnken design (BBD) of three models (Synthesis of DSNPs, UAE with water, and UAE with methanol) was performed. The results showed that in UAE of DSNPs using water-based solvent, the key independent factors effecting the TPC and TFC and antioxidant activities were S:L ratio (40:1 mg/ml) and treatment time (9 min). Whereas the methanol-based UAE of DSNPs was mostly affected by US amplitude/power (90%) and methanol concentration (80%). All models were further optimized using response optimizer in Minitab and the generated predicted values were very comparable to the actual obtained results which confirm the significance and validity of all RSM models used. The phenolic compounds identified from DSNPs consisted mainly of 3,4-Dihydroxy benzoic acid, ferulic acid, and p-coumaric acid. The present study demonstrated a successful method for synthesising DSNPs as well as documented the optimum UAE conditions to maximize the extraction of polyphenolic compounds from DSNPs and enhancing their antioxidant activities to be used in food application.     

A Possible New Value for the Electron Mass from g-Factor Measurements on Hydrogen-Like Ions

The mass of the electron in atomic units (m _e) represents the largest error contribution in an experiment to determine the g-factor of the electron bound in hydrogen-like carbon. Recent progress in the calculation reduces the uncertainty of the theoretical value to such a low value that m _e can be determined from a comparison of experimental and theoretical g-factors. The present preliminary value of the electron mass agrees with the accepted value but reduces the uncertainty by about a factor 2. This revised version was published online in July 2006 with corrections to the Cover Date.     

一种间接从高光谱数据中提取黑土硒含量的新方法

我国东北黑土富含养分,随着土壤数字制图、精确农业和土壤资源调查等研究的深入,引入航空高光谱数据并提供科学的预测结果成为研究热点。硒元素相对于黑土土壤的主要成分属于微量元素,但其对作物的正常生长的作用与大量元素是同等重要的,亦是人体健康所必要的营养元素。针对硒含量反演,建立了一个基于主要成分的间接提取模型,该模型能够显著提升硒含量回归系数,降低实测值与预测值的误差。数据源自CASI-1500航空高光谱成像系统,光谱范围380~1 050 nm,空间分辨率1.5 m。在黑龙江建三江地区采集60个土壤样本,化验获得硒、有机质、全铁、pH和氧化钙含量数据,选择BP神经网络,建立光谱与含量的反演模型。分析不同含量的黑土成分在可见-近红波段范围内光谱变换规律,掌握了硒元素随着含量升高,光谱反射率会逐步升高的规律。但当硒含量较低时,在其他成分的干扰下,这一规律会逐渐减弱,直至不显著。有机质的光谱特征与硒元素相反,总体上随着含量的增高,反射率整体下降,这与有机质的光谱特性紧密相关。全铁光谱呈现出与有机质光谱类似的规律,说明二者具有较高的相关性。不同pH值和氧化钙含量的光谱特征与检测值没有呈现出明显的特征规律,反射规律不明显。对60个采样点不同养分含量进行逐波段求反射率对养分的相关系数。结果表明,pH值各个波段相关系数最高,均值达到0.63;其次是全铁的相关系数,为0.54;有机质和氧化钙的相关系数接近,分别为0.42和0.47;而硒元素含量与逐波段的平均相关系数最低,为0.38。选取相关系数较高的前5个波段,作为建模波段。硒特征波段为447,437,456,466和475 nm;有机质特征波段为447,456,466,437和475 nm;全铁特征波段为752,695,800,762和733 nm;pH特征波段为905,752,800,943和695 nm;氧化钙特征波段为752,695,800,523和762 nm。通过计算样本点硒含量与其他成分的相关系数,硒与有机质呈正相关,相关系数为0.79;与全铁、pH、氧化钙呈负相关,相关系数分别为-0.80,-0.94和-0.69。针对有机质、全铁、pH和氧化钙反演精度较高,而硒元素含量较低,直接反演精度不足的问题,设计了一种先提取4种成分含量,再根据其提取结果建立硒元素函数关系,间接反演硒元素含量的方法。首先将五种成分与特征光谱进行神经网络分析,计算每种成分的回归系数R2和RMSE。显示全铁和pH具有较高的反演精度,有机质和氧化钙归系数虽低于0.8,但也显著高于硒元素的反演精度。建立硒元素与其他4种成分含量的回归模型,得出Se=0.522 9+0.041 8Som-0.016 6Fe₂O₃-0.035 6pH-0.005CaO,进行硒元素间接提取,回归系数从0.516增长到0.724,均方根误差从0.182降低到0.136,显著改进了反演硒含量的精度,为硒元素大范围精确制图提供了一种新技术。     

A New Conservation Law Derived from Mei Symmetry for the System of Generalized Classical Mechanics

A new conservation theorem derived directly from Mei symmetry of the generalized classical mechanical system is presented. First, the differential equations of motion of the system are established, and the definition and criterion of Mei symmetry for the system of generalized classical mechanics are given, which are based upon the invariance of dynamical functions under irdinitesimal transformations. Second, the condition under which a Mei symmetry can lead to a new conservation law is obtained and the form of the conservation law is presented. And finadly, an example is given to illustrate the application of the results.