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Interaction of DNA with Globular Proteins of Different Structures in Thin Films on Substrates of Monocrystalline Silicon 单晶硅基底薄膜中DNA与不同结构球状蛋白的相互作用
Pub Date : 2015-11-10 DOI: 10.4172/2161-0398.1000189
L. Butusov, I. Nagovitsyn, V. V. Kurilkin, Chudinova Gk
The two-component films of mixtures of DNA (from calf thymus) with different proteins: rabbit immunoglobulin (IgG), methemoglobin (MHB) and human serum albumin (HSA) were studied on single-crystal silicon substrates by the method of fluorescence spectroscopy. Registration of fluorescence spectra was performed by λex=260 and 280 nm in the range 340-380 nm. To prepare films the spincoating method was used. Solutions deposited on the substrate contained the small concentrations of proteins 10-9 - 10-15 M at the same quantity of DNA. Shape dependencies of the fluorescence intensity versus concentration differ markedly for each of the used proteins. The decreasing concentration of protein in the film is accompanied by a significant increase of the integrated fluorescence intensity (in comparison with the concentration of 10-9 M) for films of DNA-HSA in 2.5 and 5 times (10-13 and 10-15 M HSA), for films of DNA-IgG in 4.6 and 15.9 times (10-11 and 10-13 M IgG), for films of DNA-MHB in 3.4 times (10-11 M MHB). The single-component films of proteins was studied as control samples whose properties noticeably differ from the properties of DNA-protein systems. The specificity of the fluorescent characteristics of DNA-protein films for proteins of different structure and their different concentrations could be used as the basis for developing biosensor systems.
用荧光光谱法研究了小牛胸腺DNA与兔免疫球蛋白(IgG)、高铁血红蛋白(MHB)、人血清白蛋白(HSA)等不同蛋白混合后在单晶硅衬底上的双组分薄膜。在340 ~ 380 nm范围内,用λex=260和280 nm对荧光光谱进行配准。采用旋涂法制备薄膜。沉积在底物上的溶液含有相同数量DNA的10-9 - 10-15 M的小浓度蛋白质。每种使用的蛋白质的荧光强度与浓度的形状依赖性明显不同。随着膜中蛋白质浓度的降低,DNA-HSA膜的综合荧光强度(与10-9 M浓度相比)分别为2.5倍和5倍(10-13和10-15 M HSA), DNA-IgG膜的综合荧光强度为4.6倍和15.9倍(10-11和10-13 M MHB), DNA-MHB膜的综合荧光强度为3.4倍(10-11 M MHB)。以单组分膜作为对照样品进行研究,其性质与dna -蛋白质系统的性质明显不同。dna -蛋白膜对不同结构、不同浓度蛋白质荧光特性的特异性,可作为开发生物传感器系统的基础。
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引用次数: 3
A Benchmark Study on the Properties of Unsubstituted and Some Substituted Polypyrroles 未取代及部分取代聚吡咯性质的基准研究
Pub Date : 2015-11-01 DOI: 10.4172/2161-0398.1000193
C. Ibeji, I. Adejoro, B. B. Adeleke
The geometric, thermodynamic, electronic and absorption properties of Pyrrole and some of its derivatives have been carried out using CCSD/6-311++G(d,p)/STO-3G, TD-DFT and DFT/B3LYP/6-31G(d) from monomer to five repeating units. Substitution by a methyl group at C3 and functional groups at C4 cause small changes in atomic distances. The estimated inter-ring bond length based on Badger's rule of 1.41 A indicates that the average structure is about 30% quinoid. The geometries indicates that strong conjugate effects and effective aromatic structure are formed in the order Pyrrole>MPCam>MPC. The oligomers of simulated compounds have been extrapolated to polymer through second-degree polynomial-fit equation with r2 value ranging from 0.96-0.99. Calculated band gap of pyrrole, which is 2.9 eV, significantly correlates with the experimental value which ranges from 2.9-3.2 eV and this corresponds to π-π* transition energies. Natural bond orbitals of polypyrrole reveals that the wavefunctions contain dynamic correlations (single reference), closed shell character while substituted polypyrrole are multireference (static correlation), open shell character.
利用CCSD/6-311++G(d,p)/STO-3G、TD-DFT和DFT/B3LYP/6-31G(d)从单体到5个重复单元,研究了吡咯及其衍生物的几何、热力学、电子和吸收性质。C3上的甲基和C4上的官能团的取代引起原子距离的微小变化。根据1.41 A的Badger规则估计的环间键长表明,平均结构约为30%的类醌。几何分析表明,在吡咯>MPCam>MPC序中形成了较强的共轭效应和有效的芳香结构。通过二阶多项式拟合方程将模拟化合物的低聚物外推为聚合物,其r2值在0.96 ~ 0.99之间。计算得到的吡咯带隙为2.9 eV,与2.9 ~ 3.2 eV的实验值显著相关,对应π-π*跃迁能。聚吡咯的天然键轨道表明其波函数具有动态相关(单参考)、闭壳性质,而取代的聚吡咯则具有多参考(静态相关)、开壳性质。
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引用次数: 18
Study of Intermolecular Interaction of Hydroxypropyl-β-cyclodextrin Complexes through Phase Diagrams of the Fusion Entropy: Contrast between Nifedipine and Nicardipine Hydrochloride 利用融合熵相图研究羟丙基-β-环糊精配合物的分子间相互作用:硝苯地平和盐酸尼卡地平的对比
Pub Date : 2015-10-31 DOI: 10.4172/2161-0398.1000187
Yingpeng Li, S. Goto, Yohsuke Shimada, Kazushi Komatsu, Y. Yokoyama, H. Terada, K. Makino
In amorphous state, we examined the intermolecular interactions between the guest drugs nifedipine (NIF) and nicardipine hydrochloride (NIC), which are 1,4-dihydropyridine calcium channel blockers, and a host hydroxypropyl-β-cyclodextrin (HP- β-CD). Differential scanning calorimetry and powder X-ray diffraction showed that the interaction of NIC with HP-β-CD was remarkable stronger than that of NIF for both preparation methods. The structure of amorphous state complex of NIF/HP-β- CD presented as inclusion complex, and HP-β-CD in NIC/HP-β-CD complex was more like a surfactant which around NIC with its out-surface in any ratio. Fourier transform-infrared spectroscopy showed that the NIC/HP-β-CD complex contained multiple contact groups, whereas the NIF/HP-β-CD complex contained a single site bound to the HP-β-CD. Further, molecular dynamics simulation exhibited a much more vehemently reaction trend in NIC/HP-β-CD complex than that in NIF/HP-β-CD using compare the reaction constant. From the simulation images of NIF and NIC binding to HP-β-CD, we insure the different including situation in amorphous state of NIF/HP-β-CD and NIC/HP-β-CD. Consequently, we speculated that NIC binding to HP-β-CD with a different mechanism with NIF/ HP-β-CD complex. And this unique binding method may lead NIC has a higher potential energy changing in forming amorphous complexes.
在无定形状态下,我们研究了1,4-二氢吡啶钙通道阻滞剂硝苯地平(NIF)和盐酸尼卡地平(NIC)与宿主羟丙基-β-环糊精(HP- β-CD)之间的分子间相互作用。差示扫描量热法和粉末x射线衍射结果表明,在两种制备方法中,NIC与HP-β-CD的相互作用明显强于NIF。NIF/HP-β- CD的无定形配合物结构表现为包合物,NIC/HP-β-CD配合物中的HP-β-CD更像表面活性剂,以任意比例包裹NIC。傅里叶变换红外光谱表明,NIC/HP-β-CD配合物含有多个接触基团,而NIF/HP-β-CD配合物含有一个与HP-β-CD结合的位点。此外,通过比较反应常数,分子动力学模拟显示NIC/HP-β-CD复合物的反应趋势比NIF/HP-β-CD的反应趋势强烈得多。从NIF和NIC与HP-β-CD结合的模拟图像中,我们确定了NIF/HP-β-CD与NIC/HP-β-CD在非晶状态下的不同包括情况。因此,我们推测NIC与HP-β-CD的结合机制与NIF/ HP-β-CD复合物不同。这种独特的结合方式可能导致NIC在形成非晶配合物时具有更高的势能变化。
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引用次数: 10
The Viscous and External Forces Effect on the Thermal Denaturation of Peyrard-Bishop Model 粘性和外力对Peyrard-Bishop模型热变性的影响
Pub Date : 2015-10-19 DOI: 10.4172/2161-0398.1000186
W. Hidayat, A. Sulaiman, S. Viridi, F. P. Zen
The viscous and the external forces effect on thermal DNA denaturation of Peyrard-Bishop model are investigated. The calculation of the partition function to determine the stretching of hydrogen bonds has been performed by path integral Monte-Carlo. The result shows that the interaction between the viscous potential and external forces prevent DNA to unzip perfectly but allows DNA to split at a certain distance from its original position. The increase of the viscosity coefficient will reduce the melting temperature. The result obtained also showed how at certain temperature external potential give dominant contribution in denaturation, higher even than the viscosity effect.
研究了黏性和外力对peyard - bishop模型DNA热变性的影响。用路径积分蒙特卡罗方法计算了确定氢键拉伸的配分函数。结果表明,粘性势和外力之间的相互作用阻止DNA完美地解压缩,但允许DNA在距离其原始位置一定距离处分裂。黏度系数的增大会降低熔融温度。结果还表明,在一定温度下,外部电位对变性的作用占主导地位,甚至高于粘度效应。
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引用次数: 4
Environmentally affordable fluorescent nanotechnology for efficient lighting 环境负担得起的高效照明荧光纳米技术
Pub Date : 2015-10-08 DOI: 10.4172/2161-0398.C1.013
Ching-Fuh Lin
T energies involved in weak chiral interactions occurring between Odorant Binding Proteins (OBPs) and Carvone Enantiomers are evaluated, down to a few KJ/mol, by means of a water-gated organic field-effect transistor (WGOFET) whose Au-gate is modified with a porcine-OBP (pOBP) self-assembled monolayer. The output current measured is dependent on the concentration of the analytes and pM concentrations can be detected. The binding curves also are significantly different between the two enantiomers. The modelling of the two curves allows the energies associated with the OBPCarvone complexes formation to be independently extracted, from the very same set of data. From the dissociation constants the standard freeenergy, the complex formation at the electrode is derived, while the threshold voltage shifts gives information on the electrostatic component. This approach, representing a unique tool to quantitatively investigate low-energy bio-chemical interactions, is rather general as it relies on the relative dielectric constants of the protein-SAMs and of the organic semiconductors being much lower than that of water. The role of the OBPs in the olfaction system is still under debate and the detection of neutral odorant species at the pM level by means of a WGOFET adds relevant pieces of information to the understanding of the odor perception mechanism at the molecular level.
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引用次数: 1
Nonlinear effects in optical fiber transmission systems 光纤传输系统中的非线性效应
Pub Date : 2015-10-08 DOI: 10.4172/2161-0398.C1.014
M. Ferreira
T idea of making random lasers in one dimensional optical structures, such as optical fibers, has arisen great interests in the research world, because that the waveguide function provided by optical fibers help to reduce lasing threshold as well as to enhance emission directionality. Random distributed feedback fiber laser (RDF-FL) is a novel type of random laser reported by Turistsyn et al. based on a roll of single-mode fiber (SMF) in 2010. The SMF itself performs as the disorder medium, where Rayleigh backscattered (RS) radiation captured by fiber waveguide provides distributed feedback while the Raman pump provides optical amplification for generation of random lasing (RL). Compared with traditional random lasers, the RDF-FL shows relative stable output, single-transverse-mode profile, long-distance emission and wide wavelength tunability, which are of great interest in optical communication and optical sensing. To tune output wavelength of RDF-FLs, a passive component, i.e., a Fabry-Perot cavity combined with a LPFG based MZ interferometer, was designed to selectively feedback RS of a RDF-FL, and a novel all-fiber tunable multi-wavelength Raman fiber laser is achieved by us. To reduce the lasing threshold and design the output characteristics, a high nonlinear fiber, i.e., dispersion compensated fiber (DCF), with relative high Raman gain factor and RS was proposed to make RDF-FLs. Through combinations of SMF and DCF of varying length, the length and the lasing threshold of RDF-FL can be reduced remarkably when DCF is inserted at some position in the lasing cavity. Moreover, power distribution and spectrum of RDF-FL can be designed by controlling the length and the position of the DCF. Besides Raman gain, it is also possible to provide gain through active fibers, such as Er-doped fiber (EDF). In our studies, single-peak random lasing can be realized in a completely-opened cavity through pumping of both the EDF and the SMF. Combination of EDF and Raman amplifications helps to reduce the requirement of a unique pump for stable random lasing, as well as to reduce (increase) the threshold (output) power of RDF-FL. What’s more, random lasing with novel output characteristics, (i.e., stable single-peak random lasing and transitional variation between chaotic and stable states) are observed. In EDF, random distributed feedback can also be provided by inscription of randomly separated fiber Bragg gratings (FBGs), which usually generate unstable RL modes competition. In our case, a laterally-injected control light is used to induce local gain perturbation, providing additional seed light for certain random resonance modes. As a result, active mode selection of this type of RDF-FL is realized by changing locations of the laser cavity that is exposed to the control light.
在一维光学结构(如光纤)中制造随机激光器的想法引起了研究界的极大兴趣,因为光纤提供的波导功能有助于降低激光阈值并增强发射方向性。随机分布反馈光纤激光器(RDF-FL)是2010年由Turistsyn等人基于一卷单模光纤(SMF)报道的一种新型随机激光器。SMF本身作为无序介质,其中光纤波导捕获的瑞利背散射(RS)辐射提供分布式反馈,而拉曼泵浦提供光学放大以产生随机激光(RL)。与传统的随机激光器相比,RDF-FL具有相对稳定的输出、单横模轮廓、远距离发射和宽波长可调性等特点,在光通信和光传感领域具有重要意义。为了调谐RDF-FL的输出波长,设计了一种无源器件,即Fabry-Perot腔和基于LPFG的MZ干涉仪,对RDF-FL的RS进行选择性反馈,实现了一种新型的全光纤可调谐多波长拉曼光纤激光器。为了降低激光阈值和设计输出特性,提出了一种具有较高拉曼增益因子和RS的高非线性光纤,即色散补偿光纤(DCF)来制作rf - fls。将不同长度的SMF与DCF组合,在激光腔内的某个位置插入DCF,可以显著降低RDF-FL的长度和激光阈值。此外,可以通过控制DCF的长度和位置来设计rf - fl的功率分布和频谱。除了拉曼增益,还可以通过有源光纤提供增益,例如掺铒光纤(EDF)。在我们的研究中,通过抽运EDF和SMF,可以在完全打开的腔中实现单峰随机激光。EDF和拉曼放大的结合有助于减少对稳定随机激光的独特泵浦的需求,并降低(增加)RDF-FL的阈值(输出)功率。此外,还观察到具有新颖输出特性的随机激光(即稳定的单峰随机激光和混沌与稳定状态之间的过渡变化)。在EDF中,随机分布反馈也可以通过插入随机分离的光纤布拉格光栅(fbg)来提供,但这通常会产生不稳定的RL模式竞争。在我们的案例中,侧向注入的控制光用于诱导局部增益扰动,为某些随机共振模式提供额外的种子光。因此,这种RDF-FL的主动模式选择是通过改变暴露在控制光下的激光腔的位置来实现的。
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引用次数: 1
X-ray Photoelectron Spectroscopy as an Effective Biomolecular Binding Site Probe x射线光电子能谱作为一种有效的生物分子结合位点探针
Pub Date : 2015-10-05 DOI: 10.4172/2161-0398.1000e130
C. C. Chusuei
X-ray photoelectron spectroscopy (XPS) is a versatile surface characterization tool capable of probing adsorbate structure at the topmost 100 Å layers of solid surfaces [1], and can serve as a useful biomolecular binding site probe. Although analysis is performed under conditions where equilibrium is interrupted at the solid-aqueous solution interface, insight into the biomolecular interactions at the interface can still be obtained. In particular, the technique is effective for quantifying the degree of Pb(II) binding to protein structures and antioxidants, important for understanding the metal ion’s interactions with protein structures [2], and developing therapeutic agents for lead poisoning [3], respectively. Also, XPS can effectively be used to measure the relative number of surface binding sites on metal oxide nanoparticulates to which extracellular material can attach, important for evaluating the cytotoxicity of various, 4th period transition metal oxide nanoparticles [4].
x射线光电子能谱(XPS)是一种多功能的表面表征工具,能够探测固体表面[1]最顶层100 Å层的吸附质结构,可以作为一种有用的生物分子结合位点探针。虽然分析是在固水界面平衡被打断的条件下进行的,但对界面上生物分子相互作用的了解仍然可以得到。特别是,该技术可以有效地量化Pb(II)与蛋白质结构和抗氧化剂的结合程度,对了解金属离子与蛋白质结构[2]的相互作用以及开发铅中毒[3]的治疗剂具有重要意义。此外,XPS可以有效地测量细胞外物质可以附着的金属氧化物纳米颗粒表面结合位点的相对数量,这对于评估各种第四周期过渡金属氧化物纳米颗粒[4]的细胞毒性非常重要。
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引用次数: 0
Applied Statistical Design of Experiments: Applications in Natural Sciences 实验的应用统计设计:在自然科学中的应用
Pub Date : 2015-10-05 DOI: 10.4172/2161-0398.1000E129
I. Rauf
Experiments are performed today in many scientific and engineering research fields to increase our understanding and knowledge of various scientific principles and processes. These experiments are often conducted in a series of trials or tests, which produce quantifiable outcomes. The quantitative as well as qualitative outcomes of these tests or trials are measured using scientific instruments as well as measurement equipment.
今天在许多科学和工程研究领域进行实验,以增加我们对各种科学原理和过程的理解和知识。这些实验通常是在一系列试验或测试中进行的,这些试验或测试产生可量化的结果。这些测试或试验的定量和定性结果使用科学仪器和测量设备进行测量。
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引用次数: 4
Fundamental Studies of Synthesizing Novel Calix[4]arene Derivative as Host for Treatment of Toxic Metal Cations (Hg2+, Cd2+, Pb2+ and Ag+) 新型杯[4]芳烃衍生物处理有毒金属阳离子(Hg2+、Cd2+、Pb2+和Ag+)的基础研究
Pub Date : 2015-09-08 DOI: 10.4172/2161-0398.1000184
Ahmed Yahya Issa Rubaye
Novel calix[4]arene derivative containing mixed pendant arms in its lower rim, 25, 27- bis (diethylamino) ethoxy- 26, 28- (bis-methoxyethoxy) calix[4]arene, L3, has been synthesized to target the heavy metal cations. 1H NMR investigations seems to indicate that the receptor L3 interacts preferentially with Hg2+, Cd2+, Pb2+ and Ag+ in acetonitrile. Complexation studies in acetonitrile show that the lower rim groups of the receptor L3 are the active sites of its interaction with metal ions. These findings are corroborated by conductance measurements in acetonitrile, plots of molar conductance against the ligand/metal cation ratio reveal the formation of 1:1 complexes between this ligand with these cations. Standard thermodynamics parameters of complexation (log Ks, ΔHAiµ’ c, ΔSAiµ’ c, ΔGAiµ’ c) of L3 with Hg2+, Cd2+, Pb2+ and Ag+ in acetonitrile were determined using the Nano ITC (isothermal titration calorimetry). For all the systems investigated, the complexation process between these metal cations and the receptor L3 was enthalpically controlled. The enthalpic and entropic contributions to the Gibbs energy associated with these processes are analysed.
合成了一种下缘含有混合垂臂的新型杯[4]芳烃衍生物,25,27 -双(二乙胺)乙氧基- 26,28 -(双-甲氧基乙氧基)杯[4]芳烃L3,以靶向重金属阳离子。1H NMR研究似乎表明,受体L3优先与乙腈中的Hg2+、Cd2+、Pb2+和Ag+相互作用。在乙腈中的络合研究表明,受体L3的下缘基团是其与金属离子相互作用的活性位点。这些发现被乙腈的电导测量证实,配体/金属阳离子比的摩尔电导图显示配体与这些阳离子之间形成1:1的配合物。采用纳米ITC(等温滴定量热法)测定了L3在乙腈中与Hg2+、Cd2+、Pb2+和Ag+络合的标准热力学参数(log Ks, ΔHAiµ’c, ΔSAiµ’c, ΔGAiµ’c)。对于所研究的所有体系,这些金属阳离子与受体L3之间的络合过程是焓控制的。分析了与这些过程相关的焓和熵对吉布斯能的贡献。
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引用次数: 1
An Overview of Proteomics on Sepsis 脓毒症蛋白质组学研究综述
Pub Date : 2015-08-22 DOI: 10.4172/2161-0398.1000183
M. Camprubí-Rimblas, A. Artigas, R. Guillamat-Prats
Over the last years, proteomics has provided us a lot of information about the spectrum of all the proteins that are expressed by an organism in pathological and non-pathological processes. The advantage of studying the proteome over other omics (genomics, epigenetics, transcriptomics and metabolomics) is that proteins reflect the final effectors in all the complex network of replication, transcription and translation. Sepsis is a systemic inflammatory response caused by infection and that could produce multiple organ dysfunctions. The study of the secreted proteins would improve the knowledge of molecular mechanisms and pathways implicated in the septic process and consequently, data will allow us to find new therapeutic targets. The objective of this review is to summarize the proteomics updates of preclinical and clinical studies of sepsis in fields like pathophysiology, treatment, diagnosis or prognosis, providing new perspectives and directions of sepsis. Proteomics is a useful technique for the understanding of the pathophysiology of sepsis infection, the identification of new molecules for an early diagnosis and the prognosis, and the follow-up of treatment progress. The validation of new biomarkers needs a large cohort of patients and the use of other additional methods. Nevertheless, together with other techniques, proteomics has added important elements to the understanding of sepsis and other diseases. Despite current limitations, proteomic techniques improvement with bioinformatics tools might help results interpretation. Besides, the bettering in sensitivity and sensibility may facilitate further sepsis studies with these techniques.
在过去的几年里,蛋白质组学为我们提供了大量关于生物体在病理和非病理过程中表达的所有蛋白质谱的信息。与其他组学(基因组学、表观遗传学、转录组学和代谢组学)相比,研究蛋白质组学的优势在于,蛋白质反映了所有复杂的复制、转录和翻译网络中的最终效应。脓毒症是由感染引起的全身炎症反应,可导致多器官功能障碍。分泌蛋白的研究将提高对脓毒症过程中涉及的分子机制和途径的认识,因此,数据将使我们能够找到新的治疗靶点。本文综述了脓毒症在病理生理、治疗、诊断、预后等方面的临床前和临床研究的蛋白质组学进展,为脓毒症的研究提供新的视角和方向。蛋白质组学是了解脓毒症感染的病理生理、鉴定早期诊断和预后的新分子以及随访治疗进展的有用技术。新的生物标志物的验证需要大量的患者队列,并使用其他额外的方法。然而,与其他技术一起,蛋白质组学为理解败血症和其他疾病增加了重要的因素。尽管目前的限制,蛋白质组学技术的改进与生物信息学工具可能有助于结果的解释。此外,这些技术在敏感性和敏感性方面的改善可能有助于进一步的脓毒症研究。
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引用次数: 3
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Journal of physical chemistry & biophysics
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