Protein Structure and Function: Looking through the Network of Side-Chain Interactions

Network theory has become an excellent method of choice through which biological data are smoothly integrated to gain insights into complex biological problems. Understanding protein structure, folding, and function has been an important problem, which is being extensively investigated by the network approach. Since the sequence uniquely determines the structure, this review focuses on the networks of non-covalently connected amino acid side chains in proteins. Questions in structural biology are addressed within the framework of such a formalism. While general applications are mentioned in this review, challenging problems which have demanded the attention of scientific community for a long time, such as allostery and protein folding, are considered in greater detail. Our aim has been to explore these important problems through the eyes of networks. Various methods of constructing protein structure networks (PSN) are consolidated. They include the methods based on geometry, edges weighted by different schemes, and also bipartite network of protein-nucleic acid complexes. A number of network metrics that elegantly capture the general features as well as specific features related to phenomena, such as allostery and protein model validation, are described. Additionally, an integration of network theory with ensembles of equilibrium structures of a single protein or that of a large number of structures from the data bank has been presented to perceive complex phenomena from network perspective. Finally, we discuss briefly the capabilities, limitations, and the scope for further explorations of protein structure networks.

Can stress-strain relationships be obtained from indentation curves using conical and pyramidal indenters?

Applying the scaling relationships developed recently for conical indentation in elastic-plastic solids with work-hardening, we examine the question of whether stress-strain relationships of such solids can be uniquely determined by matching the calculated loading and unloading curves with that measured experimentally. We show that there can be multiple stress-strain curves for a given set of loading and unloading curves. Consequently, stress-strain relationships may not be uniquely determined from loading and unloading curves alone using a conical or pyramidal indenter.

Deflections and Curvatures of a Film–Substrate Structure with the Presence of Gradient Stress in MEMS Applications

The close form solutions of deflections and curvatures for a film–substrate composite structure with the presence of gradient stress are derived. With the definition of more precise kinematic assumption, the effect of axial loading due to residual gradient stress is incorporated in the governing equation. The curvature of film–substrate with the presence of gradient stress is shown to be nonuniform when the axial loading is nonzero. When the axial loading is zero, the curvature expressions of some structures derived in this paper recover the previous ones which assume the uniform curvature. Because residual gradient stress results in both moment and axial loading inside the film–substrate composite structure, measuring both the deflection and curvature is proposed as a safe way to uniquely determine the residual stress state inside a film–substrate composite structure with the presence of gradient stress.

An Effective Method of Determining the Residual Stress Gradients in a Micro-Cantilever

A method of determining the micro-cantilever residual stress gradients by studying its deflection and curvature is presented. The stress gradients contribute to both axial load and bending moment, which, in prebuckling regime, cause the structural stiffness change and curving up/down, respectively. As the axial load corresponds to the even polynomial terms of stress gradients and bending moment corresponds to the odd polynomial terms, the deflection itself is not enough to determine the axial load and bending moment. Curvature together with the deflection can uniquely determine these two parameters. Both linear analysis and nonlinear analysis of micro-cantilever deflection under axial load and bending moment are presented. Because of the stiffening effect due to the nonlinearity of (large) deformation, the difference between linear and nonlinear analyses enlarges as the micro-cantilever deflection increases. The model developed in this paper determines the resultant axial load and bending moment due to the stress gradients. Under proper assumptions, the stress gradients profile is obtained through the resultant axial load and bending moment.

Deflections and curvatures of a film-substrate structure with the presence of gradient stress in MEMS applications

The close form solutions of deflections and curvatures for a film-substrate composite structure with the presence of gradient stress are derived. With the definition of more precise kinematic assumption, the effect of axial loading due to residual gradient stress is incorporated in the governing equation. The curvature of film-substrate with the presence of gradient stress is shown to be nonuniform when the axial loading is nonzero. When the axial loading is zero, the curvature expressions of some structures derived in this paper recover the previous ones which assume the uniform curvature. Because residual gradient stress results in both moment and axial loading inside the film-substrate composite structure, measuring both the deflection and curvature is proposed as a safe way to uniquely determine the residual stress state inside a film-substrate composite structure with the presence of gradient stress.

阿尔文涨落与地球磁层亚暴

本文讨论了一种地球磁层的亚暴机制。当行星际磁场有大的南向分量时,磁层的位形可由基本闭式转变为开式。磁鞘中的阿尔文波可以携带超过10~(18)尔格/秒的能流传入磁层尾部,并将能量耗散于等离子体片中。等离子体片中的粒子被加热和加速后,注入近地空间,产生环电流和极区亚暴。计算了剪切流场中阿尔文波的传播过程,以及磁层中阿尔文波的耗散。将本文的结算与[4]中的结果合在一起,可以说明当行星际磁场转向南时,容易发生地球磁层亚暴,但这两者并非一一对应的关系,行星际磁场没有南向分量时也可以发生地球磁层亚暴。

Full Implementation of Rank Dependent Prizes

A manager/mechanism designer must allocate a set of money prizes ($1, $2, .., $n) between n agents working in a team. The agents know the state i.e. who contributed most, second most, etc. The agents' prefer- ences over prizes are state independent. We incorporate the possibility that the manager knows the state with a tiny probability and present a simple mechanism that uniquely implement prizes that respects the true state.

Authority files: Breaking out of the library silo to become signposts for research information

Authority files serve to uniquely identify real world ‘things’ or entities like documents, persons, organisations, and their properties, like relations and features. Already important in the classical library world, authority files are indispensable for adequate information retrieval and analysis in the computer age. This is because, even more than humans, computers are poor at handling ambiguity. Through authority files, people tell computers which terms, names or numbers refer to the same thing or have the same meaning by giving equivalent notions the same identifier. Thus, authority files signpost the internet where these identifiers are interlinked on the basis of relevance. When executing a query, computers are able to navigate from identifier to identifier by following these links and collect the queried information on these so-called ‘crosswalks’. In this context, identifiers also go under the name controlled access points. Identifiers become even more crucial now massive data collections like library catalogues or research datasets are releasing their till-now contained data directly to the internet. This development is coined Open Linked Data. The concatenating name for the internet is Web of Data instead of the classical Web of Documents.

Northern range extension, abundance and distribution of Pacific coastal Bottlenose doplhins (Tursiops truncatus gilli) in Monterey Bay, California

Pacific coastal bottlenose dolphins (Tursiops truncatus gilli) have apparently moved to Monterey Bay as a result of a shift north of their known range. Between 1983 and 1993, 417 sightings were reported off central California. Eighty-four boat-based surveys, between October 1990 and November 1993, resulted in the photo-identification of 68 uniquely marked individuals. School size ranged between 2 and 35 animals (mean = 16.60, S.D. = 7.72). Forty-three (63%) of the dolphins identified were previously photographed in the Southern California Bight before 1989. Jolly-Seber population estimates indicated an increase in the Monterey Bay population from 1990 to 1993. At least 13 of the photo-identified dolphins were present in Monterey Bay throughout the study period. All but two of the calculated coefficients of association were 0.35, indicating a strong bond among resident animals. The occurrence of an El Niño from January 1992 to the end of 1993 may have affected the number of animals present in the bay: mean school size was significantly greater during El Niño.

Additions to a revision of the shark genus Carcharhinus: Synonymy of Aprionodon and Hypoprion, and description of a new species of Carcharhinus (Carcharhinidae)

Features of the valid nominal species of Aprionodon Gill (isodon Valenciennes) and Hypoprion Muller and Henle (hemiodon Valenciennes, macloti Muller and Henle, and signatus Poey), plus those of a previously unrecognized species here described as Carcharhinus leiodon n.sp., are examined and compared with those of Carcharhinus Blainville. Features studied include morphometrics, vertebral numbers and other vertebral characteristics, tooth numbers, color pattern, and some other aspects of external morphology. It is concluded that on these features C. leiodon n.sp. is entirely encompassed within the parameters of Carcharhinus, and that, although A. isodon, H. hemiodon, H. macloti, and H. signatus each extend the range of diversity of Carcharhinus in one or more features, A. isodon is not uniquely different from Carcharhinus, and there is no common pattern of difference between the three species of Hypoprion and Carcharhinus. Accordingly, and because the nature of the teeth of Aprionodon and Hypoprion has been found insufficient to warrant generic distinction from Carcharhinus, the genera Aprionodon and Hypoprion are synonymised with Carcharhinus. A diagnosis and description are given for each of the above species. The descriptions include measurements, counts, and line illustrations that show the whole shark in lateral view, underside of head, nostril, and teeth. The geographic distribution is summarized, as are also the meager biological data available on number of embryos, size at birth, size at sexual maturity, and maximum size. (PDF file contains 32 pages.)

Enabling Sensor* Interoperability, Portland, Maine, October 16-18 2006: workshop proceedings

The ACT workshop "Enabling Sensor Interoperability" addressed the need for protocols at the hardware, firmware, and higher levels in order to attain instrument interoperability within and between ocean observing systems. For the purpose of the workshop, participants spoke in tern of "instruments" rather than "sensors," defining an instrument as a device that contains one or more sensors or actuators and can convert signals from analog to digital. An increase in the abundance, variety, and complexity of instruments and observing systems suggests that effective standards would greatly improve "plug-and-work" capabilities. However, there are few standards or standards bodies that currently address instrument interoperability and configuration. Instrument interoperability issues span the length and breadth of these systems, from the measurement to the end user, including middleware services. There are three major components of instrument interoperability including physical, communication, and application/control layers. Participants identified the essential issues, current obstacles, and enabling technologies and standards, then came up with a series of short and long term solutions. The top three recommended actions, deemed achievable within 6 months of the release of this report are: A list of recommendations for enabling instrument interoperability should be put together and distributed to instrument developers. A recommendation for funding sources to achieve instrument interoperability should be drafted. Funding should be provided (for example through NOPP or an IOOS request for proposals) to develop and demonstrate instrument interoperability technologies involving instrument manufacturers, observing system operators, and cyberinfrastructure groups. Program managers should be identified and made to understand that milestones for achieving instrument interoperability include a) selection of a methodology for uniquely identifying an instrument, b) development of a common protocol for automatic instrument discovery, c) agreement on uniform methods for measurements, d) enablement of end user controlled power cycling, and e) implementation of a registry component for IDS and attributes. The top three recommended actions, deemed achievable within S years of the release of this report are: An ocean observing interoperability standards body should be established that addresses standards for a) metadata, b) commands, c) protocols, d) processes, e) exclusivity, and f) naming authorities.[PDF contains 48 pages]

Heat Transfer of Aviation Kerosene at Supercritical Conditions

The heat transfer characteristics of China no. 3 kerosene were investigated experimentally and analytically under conditions relevant to a regenerative cooling system for scramjet applications. A test facility developed for the present study can handle kerosene in a temperature range of 300-1000 K, a pressure range of 2.6-5 MPa, and a mass How rate range of 10-100 g/s. In addition, the test section was uniquely designed such that both the wall temperature and the bulk fuel temperature were measured at the same location along the flowpath. The measured temperature distributions were then used to analytically deduce the local heat transfer characteristics. A 10-component kerosene surrogate was proposed and employed to calculate the fuel thermodynamic and transport properties that were required in the heat transfer analysis. Results revealed drastic changes in the fuel flow properties and heat transfer characteristics when kerosene approached its critical state. Convective heat transfer enhancement was also found as kerosene became supercritical. The heat transfer correlation in the relatively low-fuel-temperature region yielded a similar result to other commonly used jet fuels, such as JP-7 and JP-8, at compressed liquid states. In the high-fuel-temperature region, near and beyond the critical temperature, heat transfer enhancement was observed; hence, the associated correlation showed a more significant Reynolds number dependency.

Work and energy equations and the principle of generalized effective stress for unsaturated soils

The effective stress principle has been efficiently applied to saturated soils in the soil mechanics and geotechnical engineering practice; however, its applicability to unsaturated soils is still under debate. The appropriate selection of stress state variables is essential for the construction of constitutive models for unsaturated soils. Owing to the complexity of unsaturated soils, it is difficult to determine the deformation and strength behaviors of unsaturated soils uniquely with the previous single-effective-stress variable theory and two-effective-stress-variable theory in all the situations. In this paper, based on the porous media theory, the specific expression of work is proposed, and the effective stress of unsaturated soils conjugated with the displacement of the soil skeleton is further derived. In the derived work and energy balance equations, the energy dissipation in unsaturated soils is taken into account. According to the derived work and energy balance equations, all of the three generalized stresses and the conjugated strains have effects on the deformation of unsaturated soils. For considering these effects, a principle of generalized effective stress to describe the behaviors of unsaturated soils is proposed. The proposed principle of generalized effective stress may reduce to the previous effective stress theory of single-stress variable or the two-stress variables under certain conditions. This principle provides a helpful reference for the development of constitutive models for unsaturated soils.

A perturbation procedure for nonlinear oscillations (The dynamics of two oscillators with weak nonlinear coupling)

This thesis considers in detail the dynamics of two oscillators with weak nonlinear coupling. There are three classes of such problems: non-resonant, where the Poincaré procedure is valid to the order considered; weakly resonant, where the Poincaré procedure breaks down because small divisors appear (but do not affect the O(1) term) and strongly resonant, where small divisors appear and lead to O(1) corrections. A perturbation method based on Cole's two-timing procedure is introduced. It avoids the small divisor problem in a straightforward manner, gives accurate answers which are valid for long times, and appears capable of handling all three types of problems with no change in the basic approach.

One example of each type is studied with the aid of this procedure: for the nonresonant case the answer is equivalent to the Poincaré result; for the weakly resonant case the analytic form of the answer is found to depend (smoothly) on the difference between the initial energies of the two oscillators; for the strongly resonant case we find that the amplitudes of the two oscillators vary slowly with time as elliptic functions of ϵ t, where ϵ is the (small) coupling parameter.

Our results suggest that, as one might expect, the dynamical behavior of such systems varies smoothly with changes in the ratio of the fundamental frequencies of the two oscillators. Thus the pathological behavior of Whittaker's adelphic integrals as the frequency ratio is varied appears to be due to the fact that Whittaker ignored the small divisor problem. The energy sharing properties of these systems appear to depend strongly on the initial conditions, so that the systems not ergodic.

The perturbation procedure appears to be applicable to a wide variety of other problems in addition to those considered here.

Seismic structure above and below the core-mantle boundary

Seismic structure above and below the core-mantle boundary (CMB) has been studied through use of travel time and waveform analyses of several different seismic wave groups. Anomalous systematic trends in observables document mantle heterogeneity on both large and small scales. Analog and digital data has been utilized, and in many cases the analog data has been optically scanned and digitized prior to analysis.

Differential travel times of S - SKS are shown to be an excellent diagnostic of anomalous lower mantle shear velocity (V s) structure. Wavepath geometries beneath the central Pacific exhibit large S- SKS travel time residuals (up to 10 sec), and are consistent with a large scale 0(1000 km) slower than average V_s region (≥3%). S - SKS times for paths traversing this region exhibit smaller scale patterns and trends 0(100 km) indicating V_s perturbations on many scale lengths. These times are compared to predictions of three tomographically derived aspherical models: MDLSH of Tanimoto [1990], model SH12_WM13 of Suet al. [1992], and model SH.10c.17 of Masters et al. [1992]. Qualitative agreement between the tomographic model predictions and observations is encouraging, varying from fair to good. However, inconsistencies are present and suggest anomalies in the lower mantle of scale length smaller than the present 2000+ km scale resolution of tomographic models. 2-D wave propagation experiments show the importance of inhomogeneous raypaths when considering lateral heterogeneities in the lowermost mantle.

A dataset of waveforms and differential travel times of S, ScS, and the arrival from the D" layer, Scd, provides evidence for a laterally varying V_s velocity discontinuity at the base of the mantle. Two different localized D" regions beneath the central Pacific have been investigated. Predictions from a model having a V_s discontinuity 180 km above the CMB agree well with observations for an eastern mid-Pacific CMB region. This thickness differs from V_s discontinuity thicknesses found in other regions, such as a localized region beneath the western Pacific, which average near 280 km. The "sharpness" of the V_s jump at the top of D", i.e., the depth range over which the V_s increase occurs, is not resolved by our data, and our data can in fact may be modeled equally well by a lower mantle with the increase in V_s at the top of D" occurring over a 100 krn depth range. It is difficult at present to correlate D" thicknesses from this study to overall lower mantle heterogeneity, due to uncertainties in the 3-D models, as well as poor coverage in maps of D" discontinuity thicknesses.

P-wave velocity structure (V_p) at the base of the mantle is explored using the seismic phases SKS and SPdKS. SPdKS is formed when SKS waves at distances around 107° are incident upon the CMB with a slowness that allows for coupling with diffracted P-waves at the base of the mantle. The P-wave diffraction occurs at both the SKS entrance and exit locations of the outer core. SP_dKS arrives slightly later in time than SKS, having a wave path through the mantle and core very close to SKS. The difference time between SKS and SP_dKS strongly depends on V_p at the base of the mantle near SK Score entrance and exit points. Observations from deep focus Fiji-Tonga events recorded by North American stations, and South American events recorded by European and Eurasian stations exhibit anomalously large SP_dKS - SKS difference times. SKS and the later arriving SP_dKS phase are separated by several seconds more than predictions made by 1-D reference models, such as the global average PREM [Dziewonski and Anderson, 1981] model. Models having a pronounced low-velocity zone (5%) in V_p in the bottom 50-100 km of the mantle predict the size of the observed SP_dK S-SKS anomalies. Raypath perturbations from lower mantle V_s structure may also be contributing to the observed anomalies.

Outer core structure is investigated using the family of SmKS (m=2,3,4) seismic waves. SmKS are waves that travel as S-waves in the mantle, P-waves in the core, and reflect (m-1) times on the underside of the CMB, and are well-suited for constraining outermost core V_p structure. This is due to closeness of the mantle paths and also the shallow depth range these waves travel in the outermost core. S3KS - S2KS and S4KS - S3KS differential travel times were measured using the cross-correlation method and compared to those from reflectivity synthetics created from core models of past studies. High quality recordings from a deep focus Java Sea event which sample the outer core beneath the northern Pacific, the Arctic, and northwestern North America (spanning 1/8th of the core's surface area), have SmKS wavepaths that traverse regions where lower mantle heterogeneity is pre- dieted small, and are well-modeled by the PREM core model, with possibly a small V_p decrease (1.5%) in the outermost 50 km of the core. Such a reduction implies chemical stratification in this 50 km zone, though this model feature is not uniquely resolved. Data having wave paths through areas of known D" heterogeneity (±2% and greater), such as the source-side of SmKS lower mantle paths from Fiji-Tonga to Eurasia and Africa, exhibit systematic SmKS differential time anomalies of up to several seconds. 2-D wave propagation experiments demonstrate how large scale lower mantle velocity perturbations can explain long wavelength behavior of such anomalous SmKS times. When improperly accounted for, lower mantle heterogeneity maps directly into core structure. Raypaths departing from homogeneity play an important role in producing SmKS anomalies. The existence of outermost core heterogeneity is difficult to resolve at present due to uncertainties in global lower mantle structure. Resolving a one-dimensional chemically stratified outermost core also remains difficult due to the same uncertainties. Restricting study to higher multiples of SmKS (m=2,3,4) can help reduce the affect of mantle heterogeneity due to the closeness of the mantle legs of the wavepaths. SmKS waves are ideal in providing additional information on the details of lower mantle heterogeneity.