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Oscillations in Water Luminescence Recapitulate Periodic Changes Attributed to Ortho-Para Spin Pairs of Water Hydrogens 水的发光振荡再现了水氢原子对自旋对的周期性变化
Pub Date : 2016-03-29 DOI: 10.4172/2161-0398.1000211
J. Morré, Matthew C. Pharris, R. Pendleton, D. Morré, S. Gudkov, S. Zakharov
Luminescence data from water, enhanced by laser illumination, collected at 1 sec intervals exhibited patterns of synchronized sinusoidal oscillations of light emission in the blue-green region with a period length of 18.6 min when evaluated by Fast Fourier analysis. The oscillatory patterns recapitulate those attributed previously to alternation of ortho-para nuclear spin pairs of water hydrogens. The resultant light emissions are consistent with the hypothesis that water luminescence is the result of the discharge of energy during the transition between the highest and the lowest energy states attained during the periodic ortho-para nuclear spin pair interconversions. The period length of 18.8 min agrees with the previously found oscillatory period of about 18 min based on FTIR spectroscopic measurements of ortho to para nuclear spin pair alternations also given by changes in redox potential sufficient to drive NADH oxidation.
通过快速傅立叶分析,每隔1秒采集一次激光增强水的发光数据,在蓝绿色区域显示出同步的正弦振荡模式,周期长度为18.6 min。振荡模式再现了先前归因于水氢原子对对核自旋对交替的振荡模式。由此产生的光发射与假设相一致,即水发光是在周期性的等对核自旋对相互转换期间达到的最高和最低能态之间的能量转移期间释放能量的结果。18.8 min的周期长度与之前基于FTIR光谱测量发现的约18 min的振荡周期一致,该振荡周期是基于对正对对核自旋对变化的测量,也由足以驱动NADH氧化的氧化还原电位变化引起。
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引用次数: 3
The weighted mean and its improved dispersion 加权均值及其改进的离散度
Pub Date : 2016-03-14 DOI: 10.4172/2161-0398.C1.017
G. L. Gutsev
E and geometrical structure of neutral and charged iron clusters Fen, Fen, and Fen (n = 2-20) will be discussed. Computational results will be compared to experimental data, in particular, to the recent data obtained from the magnetic moment measurements of Fen +. We consider iron cluster oxides, single Fe atom oxides FeOn for n up to 18, and FeXn superhalogens. We present the results of computational simulations of gas-phase interactions between small iron clusters and OH, N2, CO, NO, O2, and H2O. Competition between surface chemisorption and cage formation in Fe12O12 clusters will be discussed. The magnetic quenching found for Fe12O12 will be qualitatively explained using the natural bond orbital analysis for Fe2O2. Special attention will be paid to the structural patterns of carbon chemisorbed on the surface of a ground-state Fe13 cluster.
E和中性和带电铁簇Fen, Fen和Fen (n = 2-20)的几何结构将被讨论。计算结果将与实验数据进行比较,特别是与Fen +磁矩测量最近获得的数据进行比较。我们考虑了铁簇氧化物、单铁原子氧化物FeOn (n ~ 18)和FeXn超卤素。我们给出了小铁簇与OH、N2、CO、NO、O2和H2O之间气相相互作用的计算模拟结果。讨论Fe12O12簇表面化学吸附和笼形形成之间的竞争。用Fe2O2的自然键轨道分析定性地解释了Fe12O12的磁猝灭现象。本文将特别关注基态Fe13簇表面化学吸附的碳的结构模式。
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引用次数: 5
Influence of Localized Surface Charge Distributions on the Dielectric Relaxation Spectra of Spherical Colloidal Particles in Aqueous Solution 局域表面电荷分布对水溶液中球形胶体粒子介电弛豫谱的影响
Pub Date : 2016-03-10 DOI: 10.4172/2161-0398.1000209
C. Cametti
The influence of localized charge distributions at the interfaces of spherical colloidal particles in aqueous suspension is discussed in the light of the effective medium approximation theory of heterogeneous systems. The approach is shown to give analytical results in the case of shelled particles with the presence of two distinct interfaces. The whole dielectric response of the system gives rise to different relaxation contributions, falling in different frequency regions and attributed to different polarization mechanisms, at a molecular level. In particular, the number and the strength of the dielectric relaxations associated with the presence of localized charges is discussed.
根据非均相系统的有效介质近似理论,讨论了水悬浮液中球形胶体颗粒界面处局域电荷分布的影响。该方法在具有两个不同界面的壳粒子的情况下给出了分析结果。在分子水平上,系统的整个介电响应产生不同的弛豫贡献,落在不同的频率区域,并归因于不同的极化机制。特别地,讨论了与局域电荷的存在有关的介电弛豫的数目和强度。
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引用次数: 2
Characterization of Generated Voltage, Current, Power and Power Density from Cow Dung Using Double Chambered Microbial Fuel Cell 利用双室微生物燃料电池对牛粪产生的电压、电流、功率和功率密度进行表征
Pub Date : 2016-03-07 DOI: 10.4172/2161-0398.1000208
An, Parkash
The present work deals with the fabrication of a laboratory scale double chambered microbial fuel cell (MFC) to generate electricity from cow dung. The experiment was performed to generate electricity from locally available cow dung as substrate using the fabricated MFC. The device was operated at anaerobic condition at varying time duration of 6 days, PVC pipe was used to make a salt bridge using agarose. The experimental readings were recorded at an interval of 1 hour. The performance was evaluated by characterizing the generated voltage, current, power and power surface density. It was observed that despite of high impedance of the substrate, all the general parameters have shown maximum values at day 5 and then a decline in trend was observed on 6 days onwards. The corresponding maximum values of the generated parameters are 0.825 V, 0.0113 μA, 0.009223 μW and 0.000000947 mW/m2. The obtained graphs of voltage, current, power and power density were also found to have similar pattern. Thus, this study has demonstrated such that the fabricated MFC can be used for electrical energy generation from cow dung and other biowaste.
目前的工作涉及制造实验室规模的双室微生物燃料电池(MFC)从牛粪中发电。利用自制的MFC,利用当地可用的牛粪作为基质进行发电。装置在厌氧条件下不同时间运行6天,用聚氯乙烯管制作琼脂糖盐桥。每隔1小时记录一次实验读数。通过表征产生的电压、电流、功率和功率表面密度来评价其性能。观察到,尽管衬底阻抗高,但所有一般参数在第5天显示最大值,然后在第6天以后观察到下降趋势。产生的参数最大值分别为0.825 V、0.0113 μA、0.009223 μW和0.000000947 mW/m2。得到的电压、电流、功率和功率密度曲线也具有相似的规律。因此,这项研究已经证明,这种制备的MFC可以用于从牛粪和其他生物废物中发电。
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引用次数: 15
Comments on the Extensivity of the Boltzmann Entropy 关于玻尔兹曼熵的广泛性的评论
Pub Date : 2016-03-07 DOI: 10.4172/2161-0398.1000207
Rol, Riek, Alex, E. Sobol'
In thermodynamics entropy Std is an extensive state function. Its derivation by statistical mechanics following Boltzmann and Gibbs with the famous formula S=kBlnW for a micro-canonical ensemble with N particles, kB the Boltzmann constant, and W the number of accessible micro-states is however in general not extensive unless the Stirling approximation given by lnN! – NlnN + N is used. Furthermore, at the thermodynamic limit with the number of particles N→∞ at constant density the Stirling approximation can not be used to show extensivity because limN→∞ (lnN! – NlnN + N)=∞. Hence, the Boltzmann entropy S as shown here for the ideal gas is neither for a small system with N particles nor at the thermodynamic limit extensive. Thus, if strict extensivity for the entropy is requested the claim of statistical mechanics that the Boltzmann entropy is a microscopic description of its thermodynamic analog is challenged.
在热力学中,熵是一个广义的状态函数。它由统计力学根据玻尔兹曼和吉布斯用著名的公式S=kBlnW推导出的N个粒子的微正则系综,kB为玻尔兹曼常数,W为可达的微态数,但通常不广泛,除非由lnN!—“NlnN + N”。此外,在恒定密度下粒子数N→∞的热力学极限下,由于limN→∞(lnN!—NlnN + N)=∞。因此,这里所示的理想气体的玻尔兹曼熵S既不适用于有N个粒子的小系统,也不适用于热力学极限。因此,如果要求熵的严格延展性,那么统计力学关于玻尔兹曼熵是其热力学类似物的微观描述的说法就受到了挑战。
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引用次数: 5
Thermal Properties and Phase Behavior of Water - n-pentane and Water -n-hexane Systems 水-正戊烷和水-正己烷体系的热性质和相行为
Pub Date : 2016-02-26 DOI: 10.4172/2161-0398.1000205
S. Rasulov, I. A. Isaev, S. Orakova
The pvTx properties of H2O-n-C5H12 and H2O-n-C6H14 mixture have been measured in the temperature interval 303-680 K and pressure up to 60 MPa. Measurements were made along 265 liquid and vapor isochors in the density range 63-713 kg/m3. Measurements were made for 15 concentrations between 0.110 and 0.987 mole fraction of H2O for mixtures with C5H12 and 11 concentrations between 0.166 and 0.977 for mixtures with C6H14. The temperatures and pressures at the three-phase and two-phase boundary curves for the mixtures were obtained using the isochoric (p-T) break point technique. The critical properties data of the upper and lower branches of the critical curves were extracted from the derived phase boundary data. The measured three-phase data were used to estimate the value of the upper critical end point.
对H2O-n-C5H12和H2O-n-C6H14混合物的pvTx性能进行了测试,温度范围为303 ~ 680 K,压力为60 MPa。沿着密度范围为63-713 kg/m3的265条液体和蒸汽等色线进行测量。测量了15种浓度在0.110 ~ 0.987摩尔分数之间的C5H12混合物和11种浓度在0.166 ~ 0.977摩尔分数之间的C6H14混合物。采用等时(p-T)断点技术,得到了混合物三相和两相边界曲线上的温度和压力。从导出的相边界数据中提取临界曲线上、下分支的临界性质数据。测量的三相数据用于估计上临界终点的值。
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引用次数: 0
MD Simulation Studies of Fumarase Reveal Thermo Dynamical Stability 富马酸酶的MD模拟研究揭示了其热力学稳定性
Pub Date : 2016-02-23 DOI: 10.4172/2161-0398.1000206
S. P. Singh, C. R. Deb, N. Lakhmi, an Kakati, B. K. Konwar
Fumarase enzyme is known to catalyse the stereo specific inter conversion of fumarate to L-malate which is a part of the Krebs cycle. Despite the biological significance and importance of this enzyme, the reaction mechanism of fumarase is not completely understood or known. In this context an experiment on molecular dynamics simulation was carried out for at least 10 nanoseconds molecular dynamics simulation run using Nano Scale Molecular Dynamics program implemented in Discovery Studio 4.0. The trajectory analysis of various energy parameters revealed the thermo dynamical stability of the enzyme. The present findings may aid in understanding the biological significance of this enzyme.
已知富马酸酶催化富马酸酯到l -苹果酸酯的立体特异性相互转化,这是克雷布斯循环的一部分。尽管这种酶具有生物学意义和重要性,但其反应机制尚不完全清楚。在此背景下,利用Discovery Studio 4.0中实现的纳米尺度分子动力学程序进行了至少10纳秒的分子动力学模拟实验。各种能量参数的轨迹分析揭示了酶的热力学稳定性。目前的发现可能有助于理解这种酶的生物学意义。
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引用次数: 1
Surface FTIR Techniques to Analyze the Conformation of Proteins/ Peptides in H2O Environment 表面FTIR技术分析蛋白质/多肽在水环境中的构象
Pub Date : 2016-02-09 DOI: 10.4172/2161-0398.1000202
J. D. Combs, C. U. Gonzalez, Chengshan Wang
Proteins/peptides, which are involved in various biochemical processes in biological systems, contain infrared (IR) active vibrations. Among all the IR absorption bands of proteins/peptides, the amide I band arises mainly from the stretching vibration of the carbonyls (C=O) in backbone amide bonds and is sensitive to the conformations (such as α– helix, β–sheet, unstructured conformation, and so on) in a protein/peptide. Therefore, the amide I band has been used to monitor the biophysical/biochemical behavior of proteins/peptides in biological samples (e.g., living cells or tissues). However, obtaining reproducible IR spectra of proteins/peptides in H2O solution was challenging by direct transmission measurement using a liquid cell with milli-meter level path length, due to the intensive IR absorption of H2O around 1620 cm-1 which overlaps the amide I band. Thus, lots of the IR spectra of proteins/peptides were accomplished in D2O, which has IR absorption around 1200 cm-1. Since D2O may not be a favorable solvent for biological samples, the position of the amide I band of various conformations was needed as a reference for biological samples. Consequently, various surface FTIR techniques (such as Infrared Reflection-Absorption Spectroscopy or IRRAS, and Attenuated Total Reflection or ATR) have been developed to obtain the IR spectra of proteins/peptides in H2O environment and have been reviewed here.
在生物系统中,参与各种生化过程的蛋白质/多肽含有红外主动振动。在蛋白质/肽的所有红外吸收波段中,酰胺I波段主要来自于酰胺主键羰基(C=O)的拉伸振动,对蛋白质/肽的构象(如α -螺旋、β -片、非结构化构象等)很敏感。因此,酰胺I带已被用于监测生物样品(例如,活细胞或组织)中蛋白质/肽的生物物理/生化行为。然而,由于H2O在1620 cm-1附近有强烈的红外吸收,与酰胺I带重叠,因此使用毫米级路径长度的液体细胞直接透射测量H2O溶液中蛋白质/肽的可重复性红外光谱具有挑战性。因此,许多蛋白质/多肽的红外光谱是在D2O中完成的,D2O的红外吸收在1200 cm-1左右。由于D2O可能不是生物样品的有利溶剂,因此需要各种构象的酰胺I带的位置作为生物样品的参考。因此,各种表面FTIR技术(如红外反射-吸收光谱或IRRAS,和衰减全反射或ATR)已经发展起来,以获得水环境中蛋白质/肽的红外光谱,并在此进行了综述。
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引用次数: 8
emi-closed Microfluidics Systems in the Modification of Surface Adhesion 半封闭微流体系统在表面粘附改性中的应用
Pub Date : 2016-01-30 DOI: 10.4172/2161-0398.1000200
L. Prieto-Lopez, Jiaxi Cui
When the majority of efforts to control adhesion from surfaces currently focus on a direct modification of the surface, either chemically or physically, perhaps a non-superficial approach where the action occurs underneath the surface can provide a competitive alternative. In this comment we highlight a methodology used to control adhesion from flexible surfaces. This is based on ‘semi-closed’ flexible microfluidics systems. Three basic functionalities are derived from this methodology. In one case the system is used to improve adhesion; in an extreme opposite case to prevent adhesion and in a somehow intermediate functionality it provides a switchable system in which the surface can be reversibly changed from adhesive to non-adhesive.
目前,控制表面附着力的大部分努力都集中在对表面的直接改性上,无论是化学的还是物理的,也许一种发生在表面下的非表面方法可以提供一种有竞争力的替代方案。在这篇评论中,我们强调了一种用于控制柔性表面粘附的方法。这是基于“半封闭”柔性微流体系统。从这种方法派生出三个基本功能。在一种情况下,该系统用于改善附着力;在一种极端相反的情况下,防止粘连,在某种程度上的中间功能,它提供了一个可切换的系统,其中表面可以可逆地从粘到不粘。
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引用次数: 0
The Journal of Physical Chemistry and Biophysics in a Turbulent World of Ever-Increasing Scientific Output 《科学产出不断增加的动荡世界中的物理化学和生物物理学杂志》
Pub Date : 2016-01-22 DOI: 10.4172/2161-0398.1000E131
S. Tatulian
We live in a world of databases. We are flooded with information. Is it good or bad? It’s certainly a good thing that comes with challenges. It is like a cloud with a silver lining, and the latter is real bright and luminous. Any information about atoms, molecules, supramolecular assemblies is just a few clicks away, something the midand even late20th century researchers could not even dream of. For example, you can attain the sequence and properties, and in most cases the structure, of any protein in less than a minute. Moreover, physical and chemical details of atoms and molecules such as energy levels, transitions, thermodynamics, various kinds of electronic, vibrational, and magnetic resonance spectra, are easily available from multiple databases, such as the 69 Standard Reference Databases offered by the National Institute of Standards and Technology. On the other hand, it’s not easy to keep pace with the fiercely mounting scientific and technology information. Reaxys reports properties of ~ 2.2 million inorganic and organometallic compounds, PubChem offers around 160 million chemical compounds, 60 million chemical structures, and 1 million biological assays [1]. Along with over 100 million DNA and protein sequences involving ~ 260,000 species that are available through the National Center for Biotechnology Information, over 115,000 macromolecular structures deposited in the Protein Data Bank, the amount of information simply becomes incomprehensible. Oftentimes we feel like we can’t see the trees because of the forest.
我们生活在一个数据库的世界里。我们被信息淹没了。是好是坏?这当然是一件好事,伴随着挑战。它就像一朵带着银色衬里的云,后者才是真正的明亮和发光。任何关于原子、分子、超分子组合的信息都只需点击几下鼠标,这是20世纪中期甚至后期的研究人员做梦也想不到的。例如,您可以在不到一分钟的时间内获得任何蛋白质的序列和性质,以及在大多数情况下的结构。此外,原子和分子的物理和化学细节,如能级、跃迁、热力学、各种电子、振动和磁共振谱,可以很容易地从多个数据库中获得,例如国家标准与技术研究所提供的69个标准参考数据库。另一方面,跟上迅猛增长的科技信息的步伐并不容易。Reaxys报告了大约220万种无机和有机金属化合物的性质,PubChem提供了大约1.6亿种化合物,6000万种化学结构和100万种生物分析[1]。加上国家生物技术信息中心提供的超过1亿个DNA和蛋白质序列,涉及约26万个物种,以及存放在蛋白质数据库中的超过11.5万个大分子结构,信息量简直令人难以理解。我们常常觉得,因为森林,我们看不到树木。
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引用次数: 1
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Journal of physical chemistry & biophysics
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