含二硫键多肽的基质辅助激光解析电离飞行时间质谱研究

The determination of disulfide bonds becomes an important aspect of obtaining a comprehensive understanding of the chemical structure of a protein. Numerous experimental methods have been developed for the determination of disulfide bonds in proteins. Modern mass spectrometry has developed as an important tool for the analysis of disulfide bond patterns due to its advantages of being simple, rapid and sensitive. The dissociations of the disulfide bonds were detected during the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) analysis. These fragment ions were attributed to prompt fragmentation or “in-source decay” rather than “post-source decay”. For the double disulfide bonds, ions of plus sulfur and minus sulfur atoms corresponding to cleavages at different sites within the carbon-sulfur-sulfur-carbon disulfide bonds were also observed.

Structural analysis of monoterpene glycosides extracted from Paeonia lactiflora Pall. using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and high-performance liquid chromatography/electrospray ionization tandem mass spectrometry

Paeoniflorin standard was first investigated by electrospray ionization Fourier transform ion cyclotron resonance tandem mass spectrometry (ESI-FTICR-MS/MS) using a sustained off-resonance irradiation (SORI) collision-induced dissociation (CID) method at high mass resolution. The experimental results demonstrated that the unambiguous elemental composition of product ions can be obtained at high mass resolution. Comparing MS/MS spectra and the experimental methods of hydrogen and deuterium exchange, the logical fragmentation pathways of paeoniflorin have been proposed. Then, the extracts of the traditional Chinese medicine Paeonia lactiflora Pall. were analyzed by high-performance liquid chromatography/electrospray ionization tandem mass spectrometry (HPLC/ESI-MS/MS). By comparison with the ESI-FTICR-MS/MS data of paeoniflorin, the isomers paeoniflorin and albiflorin in Paeonia lactiflora Pall. have been identified using HPLC/MS with CID in an ion trap and in-source CID. Furthermore, using the characteristic fragmentation pathways, the retention times (t(R)) in HPLC and MS/MS spectra, the structures of three other kinds of monoterpene glycoside compounds have been identified on-line without time-consuming isolation.

A STUDY OF MODE-I DELAMINATION RESISTANCE OF A THERMOPLASTIC COMPOSITE

This paper describes the mode I delamination behaviour of a unidirectional carbon-fibre/poly(phenylene ether ketone)(PEK-C) composite. Tests have been performed on double cantilever beam (DCB) specimens. Several data reduction schemes are used to obtain the critical strain energy release rate, G(IC), and the results are compared. It is shown that when using a DCB test to determine the fracture toughness, corrections must be employed. The experimental methods have been described for ascertaining the correction terms, and the results are consistent after modification. Some of the authors' results are different from those of other authors, particularly the negative correction term for crack length, the larger exponent (n > 3) in the relationship C = Ra(n), and decrements of flexural modulus with the crack growth when using the simple beam theory to predict the bending behaviour of DCB specimens. The possible reasons are discussed.

水-盐-气天然流体的物理化学性质模拟与流体包裹体应用研究

Natural fluids with water-salt-gas are often found in every sphere of the Earth, whose physicochemical properties and geochemical behaviors are complicated. To study these properties and behaviors turns out to be one of the challenging issues in geosciences. Traditional approaches mainly depend on experiments and observations. However, it is impossible to obtain a large number of data covering a large T-P space of the Earth by experimental methods in the near future, which will hinder the advance of the theoretical study. Therefore, it is important to model natural fluids by advanced theoretical methods, by which limited experimental data can be extended to a large temperature-pressure-composition space. Physicochemical models developed in this dissertation are not only more accurate, but also extend the applied T-P-m region of the experimental data of the multi-fluid systems by about two times. These models provide the new and accurate theoretical tools for the geochemical research, especially for the water-rock interactions and the study of the fluid inclusions. The main achievements can be summarized as follows: (1) A solubility model on components of natural gases is presented. The solubility model on the systems of CH4-H2O-NaCl, C2H6-H2O-NaCl or N2-H2O-NaCl takes advantage of modern physicochemical theory and methods, and is an improvement over previous models whose prediction and precision are relatively poor. The model can predict not only the gas solubility in liquid phase but also water content in the gas phase. In addition, it can predict gases (methane or nitrogen) solubility in seawater and brine. Isochores can be determined, which are very important in the interpretation of fluid inclusions. (2) A density model on common aqueous salt solutions is developed. The density models with high precision for common aqueous salt solutions (H2O-NaCl, H2O-LiCl, H2O-KCl, H2O-MgCl2, H2O-CaCl2, H2O-SrCl2 or H2O-BaCl2) are absent in the past. Previous density models are limited to the relatively small range of experimental data, and cannot meet the requirement of the study of natural fluids. So a general density model of the above systems is presented by us based on the international standard density model of the water. The model exceeds the other models in both precision and prediction. (3) A viscosity model on common aqueous alkali-chloride solutions is proposed. Dynamic viscosity of water-salt systems, an important physics variable, is widely used in three-dimension simulation of the fluids. But in most cases, due to the lack of viscosity models with a wide T-P range, the viscosity of aqueous salt solutions is replaced by that of the water, giving rise to a relatively large uncertainty. A viscosity model with good prediction for the systems (H2O-NaCl, H2O-LiCl or H2O-KCl) is presented on the base of the international standard viscosity model of water and the density model developed before. (4) Equation of State applied in fluid inclusions. The best Equations of State in the world developed by others or us recently are applied in the study of the fluid inclusions. Phase equilibria and isochores of unitary system (e.g. H2O, CO2, CH4, O2, N2, C2H6 or H2S), binary H2O-NaCl system and ternary H2O-CH4-NaCl system are finished. From these programs and thermodynamic equations of coexisting ores, the physicochemical conditions before or after the deposits form can be determined. To some extent, it is a better tool.

学习不良少年的自我意识情绪研究

Self-conscious emotions (guilt, shame, embarrassment, pride, etc) are social emotions, and involve complex appraisals of how one’s behavior has been evaluated by the self and other people according to some value standards. Self-conscious emotions play an important role in human life by arousing and regulating human action tendencies, feeling and thoughts, which can promote people to work hard in achievement and task fields, maintain good interpersonal relationship according with social morality and expectation. The present study aimed to examine complex self-conscious emotional understanding capabilities in junior middle school students with and without learning disabilities, how the self-conscious emotions generate, and relationship between self-conscious emotions and self-representation in academic and interpersonal fields. Situational experimental methods were used in this research, and the results would give further supports for learning disabilities intervention. The main results of present research are as follows. 1. The study included 4 parts and 6 experiments. The aim of study 1 was to explore whether juveniles with learning disabilities understood complex self-conscious emotions differently from juveniles without learning disabilities. We surveyed the self-conscious emotions understanding of 37 learning disabilities and 45 non-learning disabilities with the emotional situation stories. The results indicated that the self-conscious emotional recognition in others for learning disabilities was lower than that of non-learning disabilities in different emotional recognition tasks. Moreover, children with learning disabilities were more inclined to recognize emotions in themselves as elemental emotions, however, children without learning disabilities were more inclined to recognize emotions in themselves as self-conscious emotions. 2. The aim of study 2 was to explore the generative mechanism of self-conscious emotions in academic and interpersonal fields with the method of situational experiments, namely to examine whether the self-discrepancy could cause self-conscious emotions for learning disabilities. 84 learning disabilities (in experiment 1) and 80 learning disabilities (in experiment 2) participated in the research, and the results were as follows. (1) Self discrepancy caused participants’ self-conscious emotions effectively in academic and interpersonal fields. One’s own and parents’ perspercive on the actual-ideal self-discrepancy both produced dejection-related emotions (shame、embarrassment) and agitation-related emotions (guilt). （2）In academic fields, children with learning disabilities caused higher level negative self-conscious emotions (embarrassment, shame, and guilt) and lower level positive self-conscious emotion (pride). However, there were no differences of self-conscious emotions for children with and without learning disabilities in non-academic fields. 3. The aim of study 3 was to explore what influence had self-conscious emotions on self-representation for learning disabilities with the method of situational experiments. 57 learning disabilities (in experiment 1) and 67 learning disabilities (in experiment 2) participated in the research, and the results were as follows. （1）The negative self-conscious for learning disabilities could influence their positive or negative academic and positive interpersonal self-representation stability, the ways in which self-evaluation of ability mediate these effects. However, there was no significant effect for the negative self-conscious and self-evaluation of ability predicting negative interpersonal self-representation stability. （2）The stability level of positive academic and interpersonal self-representation for learning disabilities was lower than that of non-learning disabilities. There was no significant difference of the negative interpersonal self-representation stability for children with and without learning disabilities in the positive self-conscious valence condition. However, the stability level of negative interpersonal self-representation for learning disabilities was lower than that of non-learning disabilities in the negative self-conscious valence condition. 4. The aim of study 4 was to explore the intervention effects for self-conscious emotions training course on emotional comprehension cability. 65 learning disabilities (34 in experimental group, and 31 in control group) participated in the research. The results showed that self-conscious emotions course boosted the self-conscious emotions apprehensive level for children with learning disabilities.

感激与利他：从特质与情境的角度考察感激对利他倾向和行为的影响

Recently, as a moral affect and trait, gratitude has been acquiring growing attention in social psychology. Previous research showed those who are grateful were motivated not only to reciprocate the benefactor, but also to make altruistic behavior towards other people. By reviewing previous studies, we found two approaches on exploring the gratitude-altruism link: one is to examine the relationship of correlation between gratitude being a personality trait and altruistic tendency using questionnaires as research method; another is to probe into the causality of gratitude and altruistic behaviors by experimental methods. The present research consists of five studies combining correlative studies and experimental designs, trying to explore the effect of gratitude on altruistic tendency and altruistic behavior from perspective of trait and situation. Participants are 1769 Chinese undergraduates and 332 community residents. Firstly, results of study one showed dispositional gratitude was significantly positively correlated with altruistic tendency: higher dispositional gratitude, higher altruistic tendency. When social desirability, Big Five, and grateful mood were controlled, the correlation of gratitude and altruism still remained relatively significant. Secondly, results of the most experiments showed: main effects of both dispositional gratitude and situational gratitude were significant. For example, people with high dispositional gratitude showed higher altruistic tendency than people with low dispositional gratitude; People in high condition of gratitude arousing showed higher altruistic tendency than people in low condition of gratitude arousing as well as the control group. Thirdly, data analyses showed that the interaction effect of dispositional gratitude and situational gratitude on general altruistic tendency and altruistic behavior was significant. Compared with people with high dispositional gratitude, those with low dispositional gratitude was relatively more sensitive to condition of gratitude arousing. The latter show enhanced altruistic tendency in condition of gratitude arousing than in control condition. This interaction effect was also represented in three different condition of altruistic behavior. (1) As for beneficiaries of altruistic behavior, people with low dispositional gratitude showed enhanced altruistic behavior in condition of gratitude arousing towards strangers rather than friends and relatives. (2) As for the receiver role of altruistic behavior, people with low dispositional gratitude showed less “reject” or more “acceptance” in condition of gratitude arousing than that of the control condition. (3) When it comes to the cost of altruistic behavior, people with low dispositional gratitude showed enhanced altruistic tendency in condition of gratitude arousing than that of the control condition. However, altruistic behaviors of high cost in real life were more affected by dispositional gratitude.

Effects of prior warm-up regime on severe-intensity cycling performance

Burnley, M, Doust, J and Jones, A (2005) Effects of Prior Warm-up Regime on Severe-Intensity Cycling Performance. Medicine and Science in Sports and Exercise, 37 (5). pp. 838-845. ISSN 1530-0315 RAE2008

Nanostructured ferroelectric materials

Nanostructured materials are central to the evolution of future electronics and information technologies. Ferroelectrics have already been established as a dominant branch in the electronics sector because of their diverse application range such as ferroelectric memories, ferroelectric tunnel junctions, etc. The on-going dimensional downscaling of materials to allow packing of increased numbers of components onto integrated circuits provides the momentum for the evolution of nanostructured ferroelectric materials and devices. Nanoscaling of ferroelectric materials can result in a modification of their functionality, such as phase transition temperature or Curie temperature (TC), domain dynamics, dielectric constant, coercive field, spontaneous polarisation and piezoelectric response. Furthermore, nanoscaling can be used to form high density arrays of monodomain ferroelectric nanostructures, which is desirable for the miniaturisation of memory devices. This thesis details the use of various types of nanostructuring approaches to fabricate arrays of ferroelectric nanostructures, particularly non-oxide based systems. The introductory chapter reviews some exemplary research breakthroughs in the synthesis, characterisation and applications of nanoscale ferroelectric materials over the last decade, with priority given to novel synthetic strategies. Chapter 2 provides an overview of the experimental methods and characterisation tools used to produce and probe the properties of nanostructured antimony sulphide (Sb2S3), antimony sulpho iodide (SbSI) and lead titanate zirconate (PZT). In particular, Chapter 2 details the general principles of piezoresponse microscopy (PFM). Chapter 3 highlights the fabrication of arrays of Sb2S3 nanowires with variable diameters using newly developed solventless template-based approach. A detailed account of domain imaging and polarisation switching of these nanowire arrays is also provided. Chapter 4 details the preparation of vertically aligned arrays of SbSI nanorods and nanowires using a surface-roughness assisted vapour-phase deposition method. The qualitative and quantitative nanoscale ferroelectric properties of these nanostructures are also discussed. Chapter 5 highlights the fabrication of highly ordered arrays of PZT nanodots using block copolymer self-assembled templates and their ferroelectric characterisation using PFM. Chapter 6 summarises the conclusions drawn from the results reported in chapters 3, 4 and 5 and the future work.

Fabrication and characterisation of semiconductor nanowires and metal interconnects

One-dimensional semiconductor nanowires are considered to be promising materials for future nanoelectronic applications. However, before these nanowires can be integrated into such applications, a thorough understanding of their growth behaviour is necessary. In particular, methods that allow the control over nanowire growth are deemed especially important as it is these methods that will enable the control of nanowire dimensions such as length and diameter (high aspect ratios). The production of nanowires with high-aspect ratios is vital in order to take advantage of the unique properties experienced at the nanoscale, thus allowing us to maximise their use in devices. Additionally, the development of low-resistivity interconnects is desirable in order to connect such nanowires in multi-nanowire components. Consequently, this thesis aims to discuss the synthesis and characterisation of germanium (Ge) nanowires and platinum (Pt) interconnects. Particular emphasis is placed on manipulating the nanowire growth kinetics to produce high aspect ratio structures. The discussion of Pt interconnects focuses on the development of low-resistivity devices and the electrical and structural analysis of those devices. Chapter 1 reviews the most critical aspects of Ge nanowire growth which must be understood before they can be integrated into future nanodevices. These features include the synthetic methods employed to grow Ge nanowires, the kinetic and thermodynamic aspects of their growth and nanowire morphology control. Chapter 2 outlines the experimental methods used to synthesise and characterise Ge nanowires as well as the methods used to fabricate and analyse Pt interconnects. Chapter 3 discusses the control of Ge nanowire growth kinetics via the manipulation of the supersaturation of Ge in the Au/Ge binary alloy system. This is accomplished through the use of bi-layer films, which pre-form Au/Ge alloy catalysts before the introduction of the Ge precursor. The growth from these catalysts is then compared with Ge nanowire growth from standard elemental Au seeds. Nanowires grown from pre-formed Au/Ge alloy seeds demonstrate longer lengths and higher growth rates than those grown from standard Au seeds. In-situ TEM heating on the Au/Ge bi-layer films is used to support the growth characteristics observed. Chapter 4 extends the work of chapter 3 by utilising Au/Ag/Ge tri-layer films to enhance the growth rates and lengths of Ge nanowires. These nanowires are grown from Au/Ag/Ge ternary alloy catalysts. Once again, the supersaturation is influenced, only this time it is through the simultaneous manipulation of both the solute concentration and equilibrium concentration of Ge in the Au/Ag/Ge ternary alloy system. The introduction of Ag to the Au/Ge binary alloy lowers the equilibrium concentration, thus increasing the nanowire growth rate and length. Nanowires with uniform diameters were obtained via synthesis from AuxAg1-x alloy nanoparticles. Manifestation of the Gibbs-Thomson effect, resulting from the dependence of the mean nanowire length as a function of diameter, was observed for all of the nanowires grown from the AuxAg1-x nanoparticles. Finally, in-situ TEM heating was used to support the nanowire growth characteristics. Chapter 5 details the fabrication and characterisation of Pt interconnects deposited by electron beam induced deposition of two different precursors. The fabrication is conducted inside a dual beam FIB. The electrical and structural characteristics of interconnects deposited from a standard organometallic precursor and a novel carbon-free precursor are compared. The electrical performance of the carbon-free interconnects is shown to be superior to that of the organometallic devices and this is correlated to the structural composition of both interconnects via in-situ TEM heating and HAADF-STEM analysis. Annealing of the interconnects is carried out under two different atmospheres in order to reduce the electrical resistivity even further. Finally, chapter 6 presents some important conclusions and summarises each of the previous chapters.

Manipulation of magnetic anisotropy in nanostructures

Of late, the magnetic properties of micro/nano-structures have attracted intense research interest both fundamentally and technologically particularly to address the question that how the manipulation in the different layers of nanostructures, geometry of a patterned structure can affect the overall magnetic properties, while generating novel applications such as in magnetic sensors, storage devices, integrated inductive components and spintronic devices. Depending on the applications, materials with high, medium or low magnetic anisotropy and their possible manipulation are required. The most dramatic manifestation in this respect is the chance to manipulate the magnetic anisotropy over the intrinsic preferential direction of the magnetization, which can open up more functionality particularly for device applications. Types of magnetic anisotropies of different nanostructured materials and their manipulation techniques are investigated in this work. Detail experimental methods for the quantitative determination of magnetic anisotropy in nanomodulated Ni45Fe55 thin film are studied. Magnetic field induced in-plane rotations within the nanomodulated Ni45Fe55 continuous films revealed various rotational symmetries of magnetic anisotropy due to dipolar interactions showing a crossover from lower to higher fold of symmetry as a function of modulation geometry. In a second approach, the control of exchange anisotropy at ferromagnetic (FM) – aniferomagnetic (AFM) interface in multifferoic nanocomposite materials, where two different phase/types of materials were simultaneously synthesized, was investigated. The third part of this work was to study the electroplated thin films of metal alloy nanocomposite for enhanced exchange anisotropy. In this work a unique observation of an anti-clock wise as well as a clock wise hysteresis loop formation in the Ni,Fe solid solution with very low coercivity and large positive exchange anisotropy/exchange bias have been investigated. Hence, controllable positive and negative exchange anisotropy has been observed for the first time which has high potential applications such as in MRAM devices.

Transfer Across the Air-Sea Interface

The efficiency of transfer of gases and particles across the air-sea interface is controlled by several physical, biological and chemical processes in the atmosphere and water which are described here (including waves, large- and small-scale turbulence, bubbles, sea spray, rain and surface films). For a deeper understanding of relevant transport mechanisms, several models have been developed, ranging from conceptual models to numerical models. Most frequently the transfer is described by various functional dependencies of the wind speed, but more detailed descriptions need additional information. The study of gas transfer mechanisms uses a variety of experimental methods ranging from laboratory studies to carbon budgets, mass balance methods, micrometeorological techniques and thermographic techniques. Different methods resolve the transfer at different scales of time and space; this is important to take into account when comparing different results. Air-sea transfer is relevant in a wide range of applications, for example, local and regional fluxes, global models, remote sensing and computations of global inventories. The sensitivity of global models to the description of transfer velocity is limited; it is however likely that the formulations are more important when the resolution increases and other processes in models are improved. For global flux estimates using inventories or remote sensing products the accuracy of the transfer formulation as well as the accuracy of the wind field is crucial.

Highly resolved absolute cross-sections for dissociative electron attachment to SF5CF3

Using two complementary experimental methods, we have measured partial (mass-resolved) cross-sections for dissociative electron attachment to the molecule trifluoromethyl sulfurpentafluoride (SF5CF3) at the gas temperature T-G = 300 K over a broad range of electron energies (E = 0.001-12 eV). The absolute scale for these cross-sections was obtained with reference to the thermal (T = 300 K) rate coefficient for anion formation (8.0(3) x 10(-8) cm(3) s(-1)). Below 1 eV, SF5- is the dominant product anion and formed through the lowest anion state which cuts the neutral SF5CF3 potential close to the S-C equilibrium distance. The highly resolved laser photoelectron attachment data exhibit a downward Wigner cusp at 86meV, indicating that the nu(4)(alpha(1)) vibrational mode is important for the primary attachment dynamics. Both SF5- and F- anions are formed with similar yields through the first excited resonance located near 3.6eV. Towards higher energies, the anions CF3-, SF4-, and SF3- are also produced. Summation of the partial cross-sections yields a total absolute cross-section for anion formation over the energy range 0.001-12 eV. This is used to calculate the dependence of the rate coefficient for dissociative electron attachment over a broad range of electron temperatures for the fixed gas temperature T-G = 300 K; good agreement is found between the calculated values and those obtained in a drift tube experiment. In addition to the experimental work, semiempirical R-matrix calculations have been Carried out for the energy dependence of the cross-section for SF5- formation. The experimental findings are semi-quantitatively recovered. (C) 2008 Elsevier B.V. All rights reserved.

Performance enhancement of polymer nanocomposites via multiscale modelling of processing and properties

This paper provides an overview of research on modelling of the structure–property interactions of polymer nanocomposites in manufacturing processes (stretch blow moulding and thermoforming) involving large-strain biaxial stretching of relatively thin sheets, aimed at developing computer modelling tools to help producers of materials, product designers and manufacturers exploit these materials to the full, much more quickly than could be done by experimental methods alone. The exemplar systems studied are polypropylene and polyester terephalate, with nanoclays. These were compounded and extruded into 2mm thick sheet which was then biaxially stretched at 155°C for the PP and 90 to 100°C for the PET. Mechanical properties were determined for the unstretched and stretched materials, together with TEM and XRD studies of structure. Multi-scale modelling, using representative volume elements is used to model the properties of these products.

Dissociative electron attachment to C2F5 radicals

Dissociative electron attachment to the reactive C2F5 molecular radical has been investigated with two complimentary experimental methods; a single collision beam experiment and a new flowing afterglow Langmuir probe technique. The beam results show that F- is formed close to zero electron energy in dissociative electron attachment to C2F5. The afterglow measurements also show that F- is formed in collisions between electrons and C2F5 molecules with rate constants of 3.7 × 10-9 cm3 s-1 to 4.7 × 10-9 cm3 s-1 at temperatures of 300–600 K. The rate constant increases slowly with increasing temperature, but the rise observed is smaller than the experimental uncertainty of 35%.