Nucleon Superfluidity in Asymmetric Nuclear Matter and Neutron Star Matter

We have investigate the nucleon superfluidity in asymmetric nuclear matter and neutron star matter by using the Brueckner-Hartree-Fock approach and the BCS theory. We have predicted the isospin-asymmetry dependence of the nucleon superfluidity in asymmetric nuclear matter and discussed particularly the effect of microscopic three-body forces. It has been shown that the three-body force leads to a strong suppression of the proton S-1(0) superfluidity in beta -stable neutron star matter. Whereas the microscopic three-body force is found to enhance remarkably the (PF2)-P-3 neutron superfluidity in neutron star matter and neutron stars.

Dominant kinetic paths on biomolecular binding-folding energy landscape

The identification of kinetic pathways is a central issue in understanding the nature of flexible binding. A new approach is proposed here to study the dynamics of this binding-folding process through the establishment of a path integral framework on the underlying energy landscape. The dominant kinetic paths of binding and folding can be determined and quantified. In this case, the corresponding kinetic paths of binding are shown to be intimately correlated with those of folding and the dynamics becomes quite cooperative. The kinetic time can be obtained through the contributions from the dominant paths and has a U-shape dependence on temperature.

Study on QSPR of alcohols with a novel edge connectivity index F-m

A novel edge degree f(i) for heteroatom and multiple bonds in molecular graph is derived on the basis of the edge degree delta(e(r)). A novel edge connectivity index F-m is introduced. The multiple linear regression by using the edge connectivity index F-m and alcohol-type parameter delta, alcohol-distance parameter L can provide high-quality QSPR models for the normal boiling points (BPs), molar volumes (MVs), molar refraction (MRs), water solubility(log(1/S)) and octanol/water partition (logP) of alcohols with up to 17 non-hydrogen atoms. The results imply that these physical properties may be expressed as a liner combination of the edge connectivity index and alcohol-type parameter, 6, alcohol-distance parameter, L. For the models of the five properties, the correlation coefficient r and the standard errors are 0.9969,3.022; 0.9993, 1.504; 0.9992, 0.446; 0.9924,0.129 and 0.9973,0.123 for BPs, MVs, MRs, log(1/S) and logP, respectively. The cross-validation by using the leave-one-out method demonstrates the models to be highly reliable from the point of view of statistics.

Investigation on isothermal and non-isothermal crystallization kinetics of poly (epsilon-caprolactone)

The crystallization kinetics and the development of lamellar structure during the isothermal crystallization of poly (epsilon-caprolactone) (PCL) were investigated by means of differential scanning calorimetry (DSC) and real-time synchrotron small angle X-ray scattering (SR-SAXS) techniques, respectively. The Avrami analysis was performed to obtain the kinetics parameters. The value of Avrami index, n, is about 3, demonstrating a three-dimensional spherulitic growth on heterogeneous nuclei in the process of isothermal crystallization. The activation energy and the surface free energy of chain folding for isothermal crystallization were determined according to the Arrhenius equation and Hoffman-Lauritzen theory, respectively. In the process of nonisothermal crystallization of PCL, the value of Avrami index, n, is about 4, which demonstrates a three-dimensional spherulitic growth on homogeneous nuclei. In addition, lamellar parameters were obtained from the analysis of SR-SAXS data.

Effects of pressure and molecular weight on the miscibility of polystyrene and cyclohexane

With the aid of Sanchez-Lacombe lattice fluid theory (SLLFT), the phase diagrams were calculated for the system cyclohexane (CH)/polystyrene (PS) with different molecular weights at different pressures. The experimental data is in reasonable agreement with SLLFT calculations. The total Gibbs interaction energy, g*(12) for different molecular weights PS at different pressures was expressed, by means of a universal relationship, as g(12)* =f(12)* + (P - P-0) nu*(12) demixing curves were then calculated at fixed (near critical) compositions of CH and PS systems for different molecular weights. The pressures of optimum miscibility obtained from the Gibbs interaction energy are close to those measured by Wolf and coworkers. Furthermore, a reasonable explanation was given for the earlier observation of Saeki et al., i.e., the phase separation temperatures of the present system increase with the increase of pressure for the low molecular weight of the polymer whereas they decrease for the higher molecular weight polymers. The effects of molecular weight, pressure, temperature and composition on the Flory Huggins interaction parameter can be described by a general equation resulting from fitting the interaction parameters by means of Sanchez-Lacombe lattice fluid theory.

CHEMICAL-BONDS AND DIELECTRIC-CONSTANTS OF REM (RE=RARE EARTH, M=N, P, AS, SB) CRYSTALS

By using Pillips and van Vechten theory, the chemical bond parameters and dielectric constants of REM (RE=rare earth, M=N, P, As, Sb) crystals were calculated. The values calculated of dielectric constants agree with the experimental values.

SPECTRAL CHARACTERISTICS OF ER3+-ACTIVATED AND CE3+-SENSITIZED YTTRIUM-ALUMINUM-GARNET LASER CRYSTALS

We report in this paper the spectral characteristics of Er3+ (2 at.%)-activated and Ce3+ (0.3 at.%)-sensitized yttrium aluminium garnet (YAG:Er,Ce) laser crystals grown by the Czochralski technique. The absorption and emission spectra were measured at room temperature. By using absorption spectra and Judd-Ofelt theory the experimental oscillator strengths of the Er3+ transitions in the YAG:Er,Ce crystals were calculated. The energy transfer between the Er3+ and Ce3+ ions is also discussed.

积分偏移的计算几何与并行实现

The Second Round of Oil & Gas Exploration needs more precision imaging method, velocity vs. depth model and geometry description on Complicated Geological Mass. Prestack time migration on inhomogeneous media was the technical basic of velocity analysis, prestack time migration on Rugged surface, angle gather and multi-domain noise suppression. In order to realize this technique, several critical technical problems need to be solved, such as parallel computation, velocity algorithm on ununiform grid and visualization. The key problem is organic combination theories of migration and computational geometry. Based on technical problems of 3-D prestack time migration existing in inhomogeneous media and requirements from nonuniform grid, parallel process and visualization, the thesis was studied systematically on three aspects: Infrastructure of velocity varies laterally Green function traveltime computation on ununiform grid, parallel computational of kirchhoff integral migration and 3D visualization, by combining integral migration theory and Computational Geometry. The results will provide powerful technical support to the implement of prestack time migration and convenient compute infrastructure of wave number domain simulation in inhomogeneous media. The main results were obtained as follows: 1. Symbol of one way wave Lie algebra integral, phase and green function traveltime expressions were analyzed, and simple 2-D expression of Lie algebra integral symbol phase and green function traveltime in time domain were given in inhomogeneous media by using pseudo-differential operators’ exponential map and Lie group algorithm preserving geometry structure. Infrastructure calculation of five parts, including derivative, commutating operator, Lie algebra root tree, exponential map root tree and traveltime coefficients , was brought forward when calculating asymmetry traveltime equation containing lateral differential in 3-D by this method. 2. By studying the infrastructure calculation of asymmetry traveltime in 3-D based on lateral velocity differential and combining computational geometry, a method to build velocity library and interpolate on velocity library using triangulate was obtained, which fit traveltime calculate requirements of parallel time migration and velocity estimate. 3. Combining velocity library triangulate and computational geometry, a structure which was convenient to calculate differential in horizontal, commutating operator and integral in vertical was built. Furthermore, recursive algorithm, for calculating architecture on lie algebra integral and exponential map root tree (Magnus in Math), was build and asymmetry traveltime based on lateral differential algorithm was also realized. 4. Based on graph theory and computational geometry, a minimum cycle method to decompose area into polygon blocks, which can be used as topological representation of migration result was proposed, which provided a practical method to block representation and research to migration interpretation results. 5. Based on MPI library, a process of bringing parallel migration algorithm at arbitrary sequence traces into practical was realized by using asymmetry traveltime based on lateral differential calculation and Kirchhoff integral method. 6. Visualization of geological data and seismic data were studied by the tools of OpenGL and Open Inventor, based on computational geometry theory, and a 3D visualize system on seismic imaging data was designed.

波前重建法射线追踪及走时表压缩

As a fast and effective method for approximate calculation of seismic numerical simulation, ray tracing method, which has important theory and practical application value, in terms of seismic theory and seismic simulation, inversion, migration, imaging, simplified from seismic theory according to geometric seismic, means that the main energy of seismic wave field propagates along ray paths in condition of high-frequency asymptotic approximation. Calculation of ray paths and traveltimes is one of key steps in seismic simulation, inversion, migration, and imaging. Integrated triangular grids layout on wavefront with wavefront reconstruction ray tracing method, the thesis puts forward wavefront reconstruction ray tracing method based on triangular grids layout on wavefront, achieves accurate and fast calculation of ray paths and traveltimes. This method has stable and reasonable ray distribution, and overcomes problems caused by shadows in conventional ray tracing methods. The application of triangular grids layout on wavefront, keeps all the triangular grids stable, and makes the division of grids and interpolation of a new ray convenient. This technology reduces grids and memory, and then improves calculation efficiency. It enhances calculation accuracy by accurate and effective description and division on wavefront. Ray tracing traveltime table, which shares the character of 2-D or 3-D scatter data, has great amount of data points in process of seismic simulation, inversion, migration, and imaging. Therefore the traveltime table file will be frequently read, and the calculation efficiency is very low. Due to these reasons, reasonable traveltime table compression will be very necessary. This thesis proposes surface fitting and scattered data compression with B-spline function method, applies to 2-D and 3-D traveltime table compression. In order to compress 2-D (3-D) traveltime table, first we need construct a smallest rectangular (cuboidal) region with regular grids to cover all the traveltime data points, through the coordinate range of them in 2-D surface (3-D space). Then the value of finite regular grids, which are stored in memory, can be calculated using least square method. The traveltime table can be decompressed when necessary, according to liner interpolation method of 2-D (3-D) B-spline function. In the above calculation, the coefficient matrix is stored using sparse method and the liner system equations are solved using LU decomposition based on the multi-frontal method according to the sparse character of the least square method matrix. This method is practiced successfully in several models, and the cubic B-spline function can be the best basal function for surface fitting. It make the construction surface smooth, has stable and effective compression with high approximate accuracy using regular grids. In this way, through constructing reasonable regular grids to insure the calculation efficiency and accuracy of compression and surface fitting, we achieved the aim of traveltime table compression. This greatly improves calculation efficiency in process of seismic simulation, inversion, migration, and imaging.

吐合盆地鲁克沁构造带断块油藏形成机制及油藏预测

Lukeqin arc belt is a compound structure generated by multi-movements and composed of 6 sub-structural zones, which are connected by Huoyanshan Mountain. General characteristics of the arc belt are multi-patterns of structure, multi-phases for petroleum, multi-types of trap and multi-layers for reservoirs. As a part of the eastern Lukeqin arc belt located on the south of Taibei depression, Lukeqin structural zone behaves as a complex faulted-fold zone, in which the formation and distribution of hydrocarbons are controlled by structures. As the dominant source of dynamics for the second migration of hydrocarbon, structure stress field is closely related with the potentials of hydrodynamics. Results derived from the simulations of stress field by finite element method indicate that the northwest tending faults prefer seal to the northeast tending ones. The reason is that the northwest tending faults were squeezed more strongly than the northeast tending ones. Therefor, the northeast tending faults become always the paths for oil to migrate southeastward. Lukeqin structural zone is the main site for oil to concentration because it is surrounded by high stress. Situated on the front of the foreland basin of Turpan-Hami, Lukeqing arc belt is a dam to hold back the southward migrating oil from Shengbei depression. The axis line of Shenquan-Shengnan-Yanmuxi, Lukeqin and Yubei controls the migrating paths and concentrating process of oil and gas. Results derived from stress simulation and structure analyses indicate consistently that both Yubei and Lukeqin structural zones are the favorite areas for oil to migrate. The generally southward paths for oil to migrate out of Taibei depression can be two ways. One of them is from Taibei depression to Yubei structural zone and the other is from Taibei depression to Lukeqin structural zone. By the both ways, oil migrated upward along the faults and southeastward along the structural axis to concentrate in either Permian or Triassic system. The newly ascertained path for oil migration, which is accurately southeastward instead of coarsely southward, indicates the directions for further explorations on the compound Lukeqin block zone. Five kinds of seal models of fault are all found in Lukeqin block zone by studying the seal features of faults occurred in the zone. Having studied the fault seal and their controlling factors by fuzzy set method, the paper deems that the northwest tended faults are better than the northeast tended ones for oil to concentrate. The most important factors to decide the seal extent of faults in this zone are the characteristics of main stress and fluids instead of capillary pressure differences between the two sides of fault and smear mud factors. There exist seal differences not only between the faults of different time but also between the sections within a fault due to the variation of depths, strata and positions. The general distribution rules of reservoirs were dominated by the seal characteristics of a fault during the time reservoirs formed. While the current features of fault seal decide the conservation of reservoirs and heights of oil accumulations. Seal or not of a fault is not absolute because the essential for fault to seal is the distribution of permeability of fault zone. Therefor, the multi cyclical activities of faults create the space-time variation of seal features of the fault. Totally, the seal extent of the faults within the area is not as perfect as to accumulate ordinary crude. Crude oil can only be sealed when it becomes viscous. Process for crude oil to become viscous and viscous happened strongly because of the fault-fold movements. Shallowly burying and even revealing of the objective layers of the reservoirs made the crude oil to be thickened by water washing biologically degradation and oxidation degradation. The northwestward deepening during or after the reservoir formation of the structural zone provided the power for oil to migrate one or more times. The main reason for oil accumulation is the formation of Lukeqin block zone during Xishanyao stage, middle Jurassic Period, Early Yanshanian Movement. While the main reason for reservoir conservation is the placidity of Triassic blocks after the formation of reservoirs. Contrasting to former opinions, it is concluded that the reservoirs in Lukeqin zone, including viscous reservoirs, were formed by one time but not more times. So the author proposes the opinion that the reservoirs of viscous oil were formed by viscous oil migration under the conditions of aptitude sets of fault seals controlled by fluid and other factors. To grope the distribution rules outside Taibei depression and discuss the formation mechanism of Anjurassic reservoirs, it is necessary to study the dominate factors for the formation of reservoirs in Lukeqin structural zone such as structural stress, fault seals and thickening mechanism of crude oil. Also, the necessary studies are the key to break through the Taibei depression and Anjurassic systems. Therefor, they are significant for the future exploration and reserve increasing of hydrocarbon within the Turpan-Hami basin. The paper studied the distribution rules of block reservoirs and forecasted the favorable zones for further exploration in Turpan-Hami basin. Conclusions can be useful for not only the exploration in the area but also the theory consult in the adjacent areas.

济阳-昌潍坳陷火成岩油气藏体系形成机理和分布规律研究

Jiyang & Changwei depressions are two neighboring depressions in Bahai Bay Basin, the famous oil rich basin in East China. The exploration activities in the past 40 years has proved that, within the basins, there exists not only plentiful sandstone hydrocarbon reservoirs (conventional), but also abundant special reservoirs as igneous rock, mudstone and conglomerate ones which have been knowing as the unconventional in the past, and with the prospecting activity is getting more and more detailed, the unconventional reservoirs are also getting more and more important for further resources, among which, the igneous lithological reservoir be of significance as a new research and exploration area. The purpose of this paper is, with the historical researches and data as base, the System Theory, Practice Theory and Modern Comprehensive Petroleum Geology Theory as guide, the theoretical and practice break through as the goal, and the existing problems in the past as the break through direction, to explore and establish a valid reservoir formation and distribution models for igneous strata in the profile of the eastern faulted basins. After investigating the distribution of the igneous rocks and review the history of the igneous rocks reservoirs in basins, the author focused on the following issues and correspondingly the following progresses have been made: 1.Come to a new basin evolution and structure model named "Combined-Basin-bodies Model" for Jiyang even Eastern faulted basins based on the study on the origin and evolution of Jiyang & Changwei basins, depending on this model, every faulted basin in the Bo-hai Bay Basin is consisted of three Basin-Bodies including the Lower (Mesozoic), Middle (Early Tertiary) and the Upper (Late Tertiary) Bodies, each evolved in different geo-stress setting and with different basin trend, shape and igneous-sedimentary buildings system, and from this one to next one, the basin experienced a kind of process named "shape changing" and "Style changing". 2. Supposed a serious of new realizations as follows (1) There were "multi-level magma sources" including Upper mantel and the Lower, Middle and even the Upper Shell magma Chambers in the historical Magma Processes in the basins; (2) There were "multi-magma accessing or pass" from the first level (Mantel faults) to the second, third and fourth levels (that is the different levels of fault in the basin sediment strata) worked in the geo-historical and magma processes; (3) Three tectonic magma cycles and more periods have been recognized those are matched with the "Basin -body-Model" and (4)The geo-historical magma processes were non-homogeneous in time and space scale and so the magma rocks distributed in "zones" or "belts". 3. The study of magma process's effect on basin petroleum conditions have been made and the following new conclusions were reached: (1) the eruptive rocks were tend to be matched with the "caped source rock", and the magma process were favorable to the maturing of the source rocks. (2) The magma process were fruitful to the accumulation of the non-hydrocarbon reservoirs however a over magma process may damage the grade of resource rock; (3) Eruptive activity provided a fruitful environment for the formation of such new reservoir rocks as "co-eruptive turbidity sandstones" and "thermal water carbonate rocks" and the intrusive process can lead to the origin of "metamorphism rock reservoir"; (4) even if the intrusive process may cause the cap rock broken, the late Tertiary intrusive rocks may indeed provide the lateral seal and act as the cap rock locally even regionally. All above progresses are valuable for reconstructing the magma-sedimentary process history and enriching the theory system of modem petroleum geology. 4. A systematic classification system has been provided and the dominating factors for the origin and distribution of igneous rock reservoirs have been worked out based on the systematic case studies, which are as follows: (1) The classification is given based on multi-factors as the origin type, litho-phase, type of reservoir pore, reservoir ability etc., (2) Each type of reservoir was characterized in a detailed way; (3) There are 7 factors dominated the intrusive reservoir's characteristics including depth of intrusion, litho-facies of surrounding rocks, thickness of intrusive rock, intrusive facies, frequency and size of the working faults, shape and tectonic deformation of rock, erosion strength of the rock and the time of the intrusion ect., in the contrast, 4 factors are for eruptive rocks as volcanic facies, frequency and size of the working faults, strength of erosion and the thermal water processing. 5. Several new concept including "reservoir litho-facies", "composite-volcanic facies" and "reservoir system" ect. Were suggested, based on which the following models were established: (1) A seven reservoir belts model for a intrusive unit profile and further more, (2) a three layers cubic model consisted of three layer as "metamorphic roe layer", "marginal layer" and "the core"; (3) A five zones vertical reservoir sequence model consisted of five litho-facies named A, B, C, D and E for a original lava unit and furthermore three models respectively for a erosion, subsidence and faulted lava unit; (4) A composite volcanic face model for a lava cone or a composite cone that is consisted of three facies as "crater and nearby face", "middle slope" and "far slope", among which, the middle slope face is the most potential reservoir area and producible for oil & gas. 6. The concept of "igneous reservoir" was redefined as the igneous, and then a new concept of "igneous reservoir system" was supposed which means the reservoir system consisted of igneous and associated non-igneous reservoirs, with non-hydrocarbon reservoir included. 7. The origin and distribution of igneous reservoir system were probed and generalized for the exploration applications, and origin models of the main reservoir sub-systems have been established including those of igneous, related non-igneous and non-hydrocarbon. For intrusive rocks, two reservoir formation models have been suggested, one is called "Original or Primary Model", and the another one is "Secondary Model"; Similarly, the eruptive rock reservoirs were divided in three types including "Highly Produced", "Moderately Produced" and "Lowly Produced" and accordingly their formation models were given off; the related non-igneous reservoir system was considered combination of eight reservoirs, among which some ones like the Above Anticline Trap are highly produced; Also, the non-hydrocarbon. Trap system including five kinds of traps was discussed. 8. The concept models for four reservoir systems were suggested, which include the intrusive system consisted of 7 kinds of traps, the land eruptive system with 6 traps, the under water eruptive system including 6 kinds of traps and the non-hydrocarbon system combined by 5 kinds of traps. In this part, the techniques for exploration of igneous reservoir system were also generalized and probed, and based on which and the geological progresses of this paper, the potential resources and distributions of every reservoir system was evaluated and about 186 millions of reserves and eight most potential non-hydrocarbon areas were predicted and outlined. The author believe that the igneous reservoir system is a very important exploration area and its study is only in its early stage, the framework of this paper should be filled with more detailed studies, and only along way, the exploration of igneous reservoir system can go into it's really effective stage.

A Theory of How the Brain Might Work

I wish to propose a quite speculative new version of the grandmother cell theory to explain how the brain, or parts of it, may work. In particular, I discuss how the visual system may learn to recognize 3D objects. The model would apply directly to the cortical cells involved in visual face recognition. I will also outline the relation of our theory to existing models of the cerebellum and of motor control. Specific biophysical mechanisms can be readily suggested as part of a basic type of neural circuitry that can learn to approximate multidimensional input-output mappings from sets of examples and that is expected to be replicated in different regions of the brain and across modalities. The main points of the theory are: -the brain uses modules for multivariate function approximation as basic components of several of its information processing subsystems. -these modules are realized as HyperBF networks (Poggio and Girosi, 1990a,b). -HyperBF networks can be implemented in terms of biologically plausible mechanisms and circuitry. The theory predicts a specific type of population coding that represents an extension of schemes such as look-up tables. I will conclude with some speculations about the trade-off between memory and computation and the evolution of intelligence.

Combining Associational and Causal Reasoning to Solve Interpretation and Planning Problems

This report describes a paradigm for combining associational and causal reasoning to achieve efficient and robust problem-solving behavior. The Generate, Test and Debug (GTD) paradigm generates initial hypotheses using associational (heuristic) rules. The tester verifies hypotheses, supplying the debugger with causal explanations for bugs found if the test fails. The debugger uses domain-independent causal reasoning techniques to repair hypotheses, analyzing domain models and the causal explanations produced by the tester to determine how to replace faulty assumptions made by the generator. We analyze the strengths and weaknesses of associational and causal reasoning techniques, and present a theory of debugging plans and interpretations. The GTD paradigm has been implemented and tested in the domains of geologic interpretation, the blocks world, and Tower of Hanoi problems.

Reti complesse e analisi del segnale elettroencefalografico

The identification of subject-specific traits extracted from patterns of brain activity still represents an important challenge. The need to detect distinctive brain features, which is relevant for biometric and brain computer interface systems, has been also emphasized in monitoring the effect of clinical treatments and in evaluating the progression of brain disorders. Graph theory and network science tools have revealed fundamental mechanisms of functional brain organization in resting-state M/EEG analysis. Nevertheless, it is still not clearly understood how several methodological aspects may bias the topology of the reconstructed functional networks. In this context, the literature shows inconsistency in the chosen length of the selected epochs, impeding a meaningful comparison between results from different studies. In this study we propose an approach which aims to investigate the existence of a distinctive functional core (sub-network) using an unbiased reconstruction of network topology. Brain signals from a public and freely available EEG dataset were analyzed using a phase synchronization based measure, minimum spanning tree and k-core decomposition. The analysis was performed for each classical brain rhythm separately. Furthermore, we aim to provide a network approach insensitive to the effects that epoch length has on functional connectivity (FC) and network reconstruction. Two different measures, the phase lag index (PLI) and the Amplitude Envelope Correlation (AEC), were applied to EEG resting-state recordings for a group of eighteen healthy volunteers. Weighted clustering coefficient (CCw), weighted characteristic path length (Lw) and minimum spanning tree (MST) parameters were computed to evaluate the network topology. The analysis was performed on both scalp and source-space data. Results about distinctive functional core, show highest classification rates from k-core decomposition in gamma (EER=0.130, AUC=0.943) and high beta (EER=0.172, AUC=0.905) frequency bands. Results from scalp analysis concerning the influence of epoch length, show a decrease in both mean PLI and AEC values with an increase in epoch length, with a tendency to stabilize at a length of 12 seconds for PLI and 6 seconds for AEC. Moreover, CCw and Lw show very similar behaviour, with metrics based on AEC more reliable in terms of stability. In general, MST parameters stabilize at short epoch lengths, particularly for MSTs based on PLI (1-6 seconds versus 4-8 seconds for AEC). At the source-level the results were even more reliable, with stability already at 1 second duration for PLI-based MSTs. Our results confirm that EEG analysis may represent an effective tool to identify subject-specific characteristics that may be of great impact for several bioengineering applications. Regarding epoch length, the present work suggests that both PLI and AEC depend on epoch length and that this has an impact on the reconstructed network topology, particularly at the scalp-level. Source-level MST topology is less sensitive to differences in epoch length, therefore enabling the comparison of brain network topology between different studies.

On the use of qualitative reasoning to simulate and identify metabolic pathways

King, R.D., Garrett, S.M., Coghill, G.M. (2005). On the use of qualitative reasoning to simulate and identify metabolic pathways. Bioinformatics 21(9):2017-2026 RAE2008