CRYSTAL STRUCTURE AND THERMAL ANALYSIS OF ERBIUM COMPLEX WITH BENZENE ACETIC ACID

The crystal structure of erbium (III) complex of benzene acetic acid is reported. The complex crystallizes in the monoclinic space group P2(1)/a with a = 0,9008(3)nm, b=1.4242(5) nm, c=1.8437(7) nm, beta=98.80(3)degrees, V = 2.337(1) nm(3), Z = 4. The mechanism of thermal decomposition of complex has been studied by TG-DTG-DTA. The activation energy for dehydration reaction has been calculated by Freeman Carroll method. The enthalpy change for dehydration and phase change process has been determined.

A NOVEL METAL THIAMINE COMPLEX WITH A CYCLIC DIMER FORMED BY METAL-BRIDGED 2 THIAMINE LIGANDS - CRYSTAL-STRUCTURE OF [MN(THIAMINE)CL2(H2O)]2[THIAMINE]2CL4.2H2O

The crystal structure of [Mn(thiamine)Cl2(H2O)]2[thiamine]2Cl4.2H2O has been determined by X-ray diffraction methods. The compound contains a cyclic dimer of a complex cation with two thiamine ligands bridged by two Mn(II) ions across a crystallographic center of symmetry. Each Mn(II) is coordinated by two chloride atoms, a water molecule, a N(1') atom of the pyrimidine from a thiamine and an O(53) atom of the hydroxyethyl side chain from another thiamine. There are two free-base thiamine molecules related by a center of symmetry in the unit cell, which form a base-pair through the hydrogen bonds. Both the independent thiamine molecules in the asymmetric unit assume the common F conformation with phi-T = 10.0(9) and 3.6(10) and phi-P = 85.6(7) and 79.6(7), respectively. The compound provides a possible model for a metal-bridged enzyme-coenzyme complex in thiamine catalysis. Crystallographic data: triclinic, space group P1BAR, a = 12.441(4), b = 13.572(4), c = 11.267(3) angstrom, alpha = 103.15(2), beta 89.03(3), gamma = 115.64(2)-degrees, Z = 1, D(calc) = 1.524 g cm-3, and R = 0.050 for 3019 observed reflections with I > 3-sigma(I).

开发早期油藏动态地质模型与油藏工程优化研究——以埕岛油田馆上段油藏为例

In order to developing reservoir of Upper of Ng at high-speed and high-efficient in Chengdao oilfield which is located in the bally shallow sea, the paper builds up a series of theory and means predicting and descripting reservoir in earlier period of oilfield development. There are some conclusions as follows. 1. It is the first time to form a series of technique of fine geological modeling of the channel-sandy reservoir by means of mainly seismic methods. These technique include the logging restriction seismic inversion, the whole three dimension seismic interpretation, seismic properties analysis and so on which are used to the 3-dimension distributing prediction of sandy body, structure and properties of the channel reservoir by a lot of the seismic information and a small quantity of the drilling and the logging information in the earlier stage of the oil-field development. It is the first time that these methods applied to production and the high-speed development of the shallow sea oilfield. The prediction sandy body was modified by the data of new drilling, the new reservoir prediction thinking of traced inversion is built. The applied effect of the technique was very well, according to approximately 200 wells belonging to 30 well groups in Chengdao oilfield, the drilling succeeded rate of the predicting sandy body reached 100%, the error total thickness only was 8%. 2. The author advanced the thinking and methods of the forecasting residual-oil prediction at the earlier stage of production. Based on well data and seismic data, correlation of sediment units was correlated by cycle-correlation and classification control methods, and the normalization and finely interpretation of the well logging and sedimentation micro-facies were acquired. On the region of poor well, using the logging restriction inversion technique and regarding finished drilling production well as the new restriction condition, the sand body distributing and its property were predicted again and derived 3-dimension pool geologic model including structure, reservoir, fluid, reservoir engineering parameter and producing dynamic etc. According to the reservoir geologic model, the reservoir engineering design was optimized, the tracking simulation of the reservoir numerical simulation was done by means of the dynamic data (pressure, yield and water content) of development well, the production rule and oil-water distributing rule was traced, the distributing of the remaining oil was predicted and controlled. The dynamic reservoir modeling method in metaphase of development was taken out. Based on the new drilling data, the static reservoir geologic model was momentarily modified, the research of the flow units was brought up including identifying flow units, evaluating flow units capability and establishing the fine flow units model; according to the dynamic data of production and well testing data, the dynamic tracing reservoir description was realized through the constant modification of the reservoir geologic model restricted these dynamic data by the theory of well testing and the reservoir numerical simulation. It was built the dynamic tracing reservoir model, which was used to track survey of the remaining oil on earlier period. The reservoir engineering tracking analysis technique on shallow sea oilfield was founded. After renewing the structure history since tertiary in Chengdao area by the balance section technique and estimating the activity character of the Chengbei fault by the sealing fault analysis technique, the meandering stream sediment pattern of the Upper of Ng was founded in which the meandering border was the uppermost reservoir unit. Based on the specialty of the lower rock component maturity and the structure maturity, the author founded 3 kinds of pore structure pattern in the Guanshang member of Chengdao oil-field in which the storing space mainly was primary (genetic) inter-granular pore, little was secondary solution pore and the inter-crystal pore tiny pore, and the type of throat mainly distributed as the slice shape and the contract neck shape. The positive rhythmic was briefly type included the simple positive rhythm, the complex positive rhythm and the compound rhythm. Interbed mainly is mudstone widely, the physical properties and the calcite interbed distribute localized. 5. The author synthetically analyzed the influence action of the micro-heterogeneity, the macro-heterogeneity and the structure heterogeneity to the oilfield water flood development. The efficiency of water flood is well in tiny structure of convex type or even type at top and bottom in which the water breakthrough of oil well is soon at the high part of structure when inject at the low part of structure, and the efficiency of water flood is poor in tiny structure of concave type at top and bottom. The remaining oil was controlled by sedimentary facies; the water flooding efficiency is well in the border or channel bar and is bad in the floodplain or the levee. The separation and inter layer have a little influence to the non-obvious positive rhythm reservoir, in which the remaining oil commonly locate within the 1-3 meter of the lower part of the separation and inter layer with lower water flooding efficiency.

古潜山油藏非均质三维地质建模

The discovery of the highly productive Renqiu buried hill reservoir in Bohai Bay Basin in 1975 started the high tide of finding buried hill reservoirs in China and their research. As the advance of E&P technologies, the study of buried hill reservoir in China had a qualitative leap. The reservoir description and some other aspects of development have reached or approached to the international leading level. However, some core techniques for reservoir study such as structure & faulting system study, formation prediction and connection study and heterogeneous model's construction could not completely carry out the quantitative or accurate reservoir description, e. g. the areal distribution of porosity, permeability and oil saturation. Especially, the modeling for reservoir simulation is still wandering in the stage of simplicity. The inaccurate understanding of geology could not derive 3D heterogeneous geological model that can reveal the actual underground situation thus could not design practical and feasible oilfield development plan. Therefore, the problems of low oil recovery rate, low recovery factor and poor development effectiveness have not been solved. The poor connection of the reservoir determined that waterflooding could not get good development effect and the production had to depend on the reservoir elastic energy, and this will bring big difficulty for development modification and improvement of oil recovery. This study formed a series of techniques for heterogeneous model research that can be used to construct heterogeneous model consistent with the reservoir geology. Thus the development effectiveness, success ratio of drilling and percent of producing reserves can be enhanced. This study can make the development of buried hill reservoir be of high recovery rate and high effect. The achievements of this study are as follows: 1. Evaluated the resources, summarized the geological characteristics and carried out the reservoir classification of the buried hill reservoirs in Shengli petroliferous area; 2. Established the markers for stratigraphical correlation and formed the correlation method for complex buried hill reservoirs; 3. Analyzed the structural features of the buried hill reservoirs, finished the structure interpretation and study of faulting system using synthetic seismograms, horizontal slices and coherent analysis, and clarified structural development history of the buried hill reservoirs in Shengli petroliferous area; 4. Determined the 3 classes and 7 types of pore space and the main pore space type, the logging response characteristics and the FMI logging identified difference between artificial and natural fractures by the comprehensive usage of core analysis, other lab analyses, conventional logging, FMI logging and CMR logging; 5. Determined the factors controlled the growth of the fractures, vugs and cavities, proposed the main formation prediction method for buried hill reservoir and analyzed their technical principium and applicability, and formed the seismic method and process for buried hill reservoir description; 6. Established the reserve calculation method for buried hill reservoirs, i. e. the reserves of fractures and matrix are calculated separately; the recoverable reserves are calculated by decline method and are classified by the SPE criteria; 7. Studied restraining barriers and the sealing of the faults thus clarified the oil-bearing formations of the buried hill reservoirs, and verified the multiple reservoir forming theory; 8. Formed reasonable procedure of buried hill reservoir study; 9. Formed the 3 D modeling technology for buried hill reservoirs; 10. Studied a number of buried hill blocks on the aspects of reservoir description, reservoir engineering and development plan optimization based on the above research and the profit and social effect are remarkable.

SketchIT: A Sketch Interpretation Tool for Conceptual Mechanical Design

We describe a program called SketchIT capable of producing multiple families of designs from a single sketch. The program is given a rough sketch (drawn using line segments for part faces and icons for springs and kinematic joints) and a description of the desired behavior. The sketch is "rough" in the sense that taken literally, it may not work. From this single, perhaps flawed sketch and the behavior description, the program produces an entire family of working designs. The program also produces design variants, each of which is itself a family of designs. SketchIT represents each family of designs with a "behavior ensuring parametric model" (BEP-Model), a parametric model augmented with a set of constraints that ensure the geometry provides the desired behavior. The construction of the BEP-Model from the sketch and behavior description is the primary task and source of difficulty in this undertaking. SketchIT begins by abstracting the sketch to produce a qualitative configuration space (qc-space) which it then uses as its primary representation of behavior. SketchIT modifies this initial qc-space until qualitative simulation verifies that it produces the desired behavior. SketchIT's task is then to find geometries that implement this qc-space. It does this using a library of qc-space fragments. Each fragment is a piece of parametric geometry with a set of constraints that ensure the geometry implements a specific kind of boundary (qcs-curve) in qc-space. SketchIT assembles the fragments to produce the BEP-Model. SketchIT produces design variants by mapping the qc-space to multiple implementations, and by transforming rotating parts to translating parts and vice versa.

Shaping Inputs to Reduce Vibration in Flexible Space Structures

Future NASA plans to launch large space strucutres solicit the need for effective vibration control schemes which can solve the unique problems associated with unwanted residual vibration in flexible spacecraft. In this work, a unique method of input command shaping called impulse shaping is examined. A theoretical background is presented along with some insight into the methdos of calculating multiple mode sequences. The Middeck Active Control Experiment (MACE) is then described as the testbed for hardware experiments. These results are shown and some of the difficulties of dealing with nonlinearities are discussed. The paper is concluded with some conclusions about calculating and implementing impulse shaping in complex nonlinear systems.

A Simple Model of Circuit Design

A simple analog circuit designer has been implemented as a rule based system. The system can design voltage followers. Miller integrators, and bootstrap ramp generators from functional descriptions of what these circuits do. While the designer works in a simple domain where all components are ideal, it demonstrates the abilities of skilled designers. While the domain is electronics, the design ideas are useful in many other engineering domains, such as mechanical engineering, chemical engineering, and numerical programming. Most circuit design systems are given the circuit schematic and use arithmetic constraints to select component values. This circuit designer is different because it designs the schematic. The designer uses a unidirectional CONTROL relation to find the schematic. The circuit designs are built around this relation; it restricts the search space, assigns purposes to components and finds design bugs.

Dependency Directed Reasoning for Complex Program Understanding

Artificial Intelligence research involves the creation of extremely complex programs which must possess the capability to introspect, learn, and improve their expertise. Any truly intelligent program must be able to create procedures and to modify them as it gathers information from its experience. [Sussman, 1975] produced such a system for a 'mini-world'; but truly intelligent programs must be considerably more complex. A crucial stepping stone in AI research is the development of a system which can understand complex programs well enough to modify them. There is also a complexity barrier in the world of commercial software which is making the cost of software production and maintenance prohibitive. Here too a system which is capable of understanding complex programs is a necessary step. The Programmer's Apprentice Project [Rich and Shrobe, 76] is attempting to develop an interactive programming tool which will help expert programmers deal with the complexity involved in engineering a large software system. This report describes REASON, the deductive component of the programmer's apprentice. REASON is intended to help expert programmers in the process of evolutionary program design. REASON utilizes the engineering techniques of modelling, decomposition, and analysis by inspection to determine how modules interact to achieve the desired overall behavior of a program. REASON coordinates its various sources of knowledge by using a dependency-directed structure which records the justification for each deduction it makes. Once a program has been analyzed these justifications can be summarized into a teleological structure called a plan which helps the system understand the impact of a proposed program modification.

A Planning System for Robot Construction Tasks

This paper describes BUILD, a computer program which generates plans for building specified structures out of simple objects such as toy blocks. A powerful heuristic control structure enables BUILD to use a number of sophisticated construction techniques in its plans. Among these are the incorporation of pre-existing structure into the final design, pre-assembly of movable sub-structures on the table, and use of the extra blocks as temporary supports and counterweights in the course of construction. BUILD does its planning in a modeled 3-space in which blocks of various shapes and sizes can be represented in any orientation and location. The modeling system can maintain several world models at once, and contains modules for displaying states, testing them for inter-object contact and collision, and for checking the stability of complex structures involving frictional forces. Various alternative approaches are discussed, and suggestions are included for the extension of BUILD-like systems to other domains. Also discussed are the merits of BUILD's implementation language, CONNIVER, for this type of problem solving.

Design thinking - a critical analysis.

The latest buzz phrase to enter the world of design research is “Design Thinking”. But is this anything new and does it really have any practical or theoretical relevance to the design world? Many sceptics believe the term has more to do with business strategy and little to do with the complex process of designing products, services and systems. Moreover, many view the term as misleading and a cheap attempt to piggyback the world of business management onto design. This paper seeks to ask is design thinking anything new? Several authors have explicitly or implicitly articulated the term “Design Thinking” before, such as Peter Rowe’s seminal book “Design Thinking” [1] first published in 1987 and Herbert Simon’s “The Sciences of the Artificial” [2] first published in 1969. In Tim Brown’s “Change by Design” [3], design thinking is thought of as a system of three overlapping spaces rather than a sequence of orderly steps namely inspiration – the problem or opportunity that motivates the search for solutions; ideation – the process of generating, developing and testing ideas; and implementation – the path that leads from the design studio, lab and factory to the market. This paper seeks to examine and critically analyse the tenets of this new design thinking manifesto set against three case studies of modern design practice. As such, the paper will compare design thinking theory with the reality of design in practice.

AN IMPEDANCE TUBE FOR THE IN-SITU CLASSIFICATION OF BUBBLY LIQUIDS

It is well documented that the presence of even a few air bubbles in water can signifi- cantly alter the propagation and scattering of sound. Air bubbles are both naturally and artificially generated in all marine environments, especially near the sea surface. The abil- ity to measure the acoustic propagation parameters of bubbly liquids in situ has long been a goal of the underwater acoustics community. One promising solution is a submersible, thick-walled, liquid-filled impedance tube. Recent water-filled impedance tube work was successful at characterizing low void fraction bubbly liquids in the laboratory [1]. This work details the modifications made to the existing impedance tube design to allow for submersed deployment in a controlled environment, such as a large tank or a test pond. As well as being submersible, the useable frequency range of the device is increased from 5 - 9 kHz to 1 - 16 kHz and it does not require any form of calibration. The opening of the new impedance tube is fitted with a large stainless steel flange to better define the boundary condition on the plane of the tube opening. The new device was validated against the classic theoretical result for the complex reflection coefficient of a tube opening fitted with an infinite flange. The complex reflection coefficient was then measured with a bubbly liquid (order 250 micron radius and 0.1 - 0.5 % void fraction) outside the tube opening. Results from the bubbly liquid experiments were inconsistent with flanged tube theory using current bubbly liquid models. The results were more closely matched to unflanged tube theory, suggesting that the high attenuation and phase speeds in the bubbly liquid made the tube opening appear as if it were radiating into free space.

Space, Time and Learning in the Hippocampus: How Fine Spatial and Temporal Scales Are Expanded into Population Codes for Behavioral Control

The hippocampus participates in multiple functions, including spatial navigation, adaptive timing, and declarative (notably, episodic) memory. How does it carry out these particular functions? The present article proposes that hippocampal spatial and temporal processing are carried out by parallel circuits within entorhinal cortex, dentate gyrus, and CA3 that are variations of the same circuit design. In particular, interactions between these brain regions transform fine spatial and temporal scales into population codes that are capable of representing the much larger spatial and temporal scales that are needed to control adaptive behaviors. Previous models of adaptively timed learning propose how a spectrum of cells tuned to brief but different delays are combined and modulated by learning to create a population code for controlling goal-oriented behaviors that span hundreds of milliseconds or even seconds. Here it is proposed how projections from entorhinal grid cells can undergo a similar learning process to create hippocampal place cells that can cover a space of many meters that are needed to control navigational behaviors. The suggested homology between spatial and temporal processing may clarify how spatial and temporal information may be integrated into an episodic memory.

Creation of a complex butterfly attractor using a novel Lorenz-type system

A novel Lorenz-type system of nonlinear differential equations is proposed. Unlike the original Lorenz system, where the chaotic dynamics remain confined to the positive half-space with respect to the Z state variable due to a limiting threshold effect, the proposed system enables bipolar swing of this state variable. In addition, the classical set of parameters (a, b, c) controlling the behavior of the Lorenz system are reduced to a single parameter, namely a. Two possible modes of operation are admitted by the system; switching between these two modes results in the creation of a complex butterfly chaotic attractor. Numerical simulations and results from an experimental setup are presented

Wireless sensor node design for heterogeneous networks

Two complementary wireless sensor nodes for building two-tiered heterogeneous networks are presented. A larger node with a 25 mm by 25 mm size acts as the backbone of the network, and can handle complex data processing. A smaller, cheaper node with a 10 mm by 10 mm size can perform simpler sensor-interfacing tasks. The 25mm node is based on previous work that has been done in the Tyndall National Institute that created a modular wireless sensor node. In this work, a new 25mm module is developed operating in the 433/868 MHz frequency bands, with a range of 3.8 km. The 10mm node is highly miniaturised, while retaining a high level of modularity. It has been designed to support very energy efficient operation for applications with low duty cycles, with a sleep current of 3.3 μA. Both nodes use commercially available components and have low manufacturing costs to allow the construction of large networks. In addition, interface boards for communicating with nodes have been developed for both the 25mm and 10mm nodes. These interface boards provide a USB connection, and support recharging of a Li-ion battery from the USB power supply. This paper discusses the design goals, the design methods, and the resulting implementation.

Design, synthesis and development of novel indolocarbazole derivatives as potential anti-cancer agents

This thesis describes work carried out on the design of new routes to a range of bisindolylmaleimide and indolo[2,3-a]carbazole analogs, and investigation of their potential as successful anti-cancer agents. Following initial investigation of classical routes to indolo[2,3-a]pyrrolo[3,4-c]carbazole aglycons, a new strategy employing base-mediated condensation of thiourea and guanidine with a bisindolyl β-ketoester intermediate afforded novel 5,6-bisindolylpyrimidin-4(3H)-ones in moderate yields. Chemical diversity within this H-bonding scaffold was then studied by substitution with a panel of biologically relevant electrophiles, and by reductive desulfurisation. Optimisation of difficult heterogeneous literature conditions for oxidative desulfurisation of thiouracils was also accomplished, enabling a mild route to a novel 5,6-bisindolyluracil pharmacophore to be developed within this work. The oxidative cyclisation of selected acyclic bisindolyl systems to form a new planar class of indolo[2,3-a]pyrimido[5,4-c]carbazoles was also investigated. Successful conditions for this transformation, as well as the limitations currently prevailing for this approach are discussed. Synthesis of 3,4-bisindolyl-5-aminopyrazole as a potential isostere of bisindolylmaleimide agents was encountered, along with a comprehensive derivatisation study, in order to probe the chemical space for potential protein backbone H-bonding interactions. Synthesis of a related 3,4-arylindolyl-5-aminopyrazole series was also undertaken, based on identification of potent kinase inhibition within a closely related heterocyclic template. Following synthesis of approximately 50 novel compounds with a diversity of H-bonding enzyme-interacting potential within these classes, biological studies confirmed that significant topo II inhibition was present for 9 lead compounds, in previously unseen pyrazolo[1,5-a]pyrimidine, indolo[2,3-c]carbazole and branched S,N-disubstituted thiouracil derivative series. NCI-60 cancer cell line growth inhibition data for 6 representative compounds also revealed interesting selectivity differences between each compound class, while a new pyrimido[5,4-c]carbazole agent strongly inhibited cancer cell division at 10 µM, with appreciable cytotoxic activity observed across several tumour types.