6 research outputs found
The Polytope Formalism: isomerism and associated unimolecular isomerisation
This thesis concerns the ontology of isomerism, this encompassing the conceptual frameworks and relationships that comprise the subject matter; the necessary formal definitions, nomenclature, and representations that have impacts reaching into unexpected areas such as drug registration and patent specifications; the requisite controlled and precise vocabulary that facilitates nuanced communication; and the digital/computational formalisms that underpin the chemistry software and database tools that empower chemists to perform much of their work.
Using conceptual tools taken from Combinatorics, and Graph Theory, means are presented to provide a unified description of isomerism and associated unimolecular isomerisation spanning both constitutional isomerism and stereoisomerism called the Polytope Formalism. This includes unification of the varying approaches historically taken to describe and understand stereoisomerism in organic and inorganic compounds.
Work for this Thesis began with the synthesis, isolation, and characterisation of compounds not adequately describable using existing IUPAC recommendations. Generalisation of the polytopal-rearrangements model of stereoisomerisation used for inorganic chemistry led to the prescriptions that could deal with the synthesised compounds, revealing an unrecognised fundamental form of isomerism called akamptisomerism.
Following on, this Thesis describes how in attempting to place akamptisomerism within the context of existing stereoisomerism reveals significant systematic deficiencies in the IUPAC recommendations. These shortcomings have limited the conceptualisation of broad classes of compounds and hindered development of molecules for medicinal and technological applications.
It is shown how the Polytope Formalism can be applied to the description of constitutional isomerism in a practical manner. Finally, a radically different medicinal chemistry design strategy with broad application, based upon the principles, is describe
A hardware-software codesign framework for cellular computing
Until recently, the ever-increasing demand of computing power has been met on one hand by increasing the operating frequency of processors and on the other hand by designing architectures capable of exploiting parallelism at the instruction level through hardware mechanisms such as super-scalar execution. However, both these approaches seem to have reached a plateau, mainly due to issues related to design complexity and cost-effectiveness. To face the stabilization of performance of single-threaded processors, the current trend in processor design seems to favor a switch to coarser-grain parallelization, typically at the thread level. In other words, high computational power is achieved not only by a single, very fast and very complex processor, but through the parallel operation of several processors, each executing a different thread. Extrapolating this trend to take into account the vast amount of on-chip hardware resources that will be available in the next few decades (either through further shrinkage of silicon fabrication processes or by the introduction of molecular-scale devices), together with the predicted features of such devices (e.g., the impossibility of global synchronization or higher failure rates), it seems reasonable to foretell that current design techniques will not be able to cope with the requirements of next-generation electronic devices and that novel design tools and programming methods will have to be devised. A tempting source of inspiration to solve the problems implied by a massively parallel organization and inherently error-prone substrates is biology. In fact, living beings possess characteristics, such as robustness to damage and self-organization, which were shown in previous research as interesting to be implemented in hardware. For instance, it was possible to realize relatively simple systems, such as a self-repairing watch. Overall, these bio-inspired approaches seem very promising but their interest for a wider audience is problematic because their heavily hardware-oriented designs lack some of the flexibility achievable with a general purpose processor. In the context of this thesis, we will introduce a processor-grade processing element at the heart of a bio-inspired hardware system. This processor, based on a single-instruction, features some key properties that allow it to maintain the versatility required by the implementation of bio-inspired mechanisms and to realize general computation. We will also demonstrate that the flexibility of such a processor enables it to be evolved so it can be tailored to different types of applications. In the second half of this thesis, we will analyze how the implementation of a large number of these processors can be used on a hardware platform to explore various bio-inspired mechanisms. Based on an extensible platform of many FPGAs, configured as a networked structure of processors, the hardware part of this computing framework is backed by an open library of software components that provides primitives for efficient inter-processor communication and distributed computation. We will show that this dual softwareβhardware approach allows a very quick exploration of different ways to solve computational problems using bio-inspired techniques. In addition, we also show that the flexibility of our approach allows it to exploit replication as a solution to issues that concern standard embedded applications
Π’Π΅Ρ Π½ΠΎΠ»ΠΎΠ³ΠΈΡ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠ½ΠΎΠΉ ΠΏΠΎΠ΄Π΄Π΅ΡΠΆΠΊΠΈ ΠΆΠΈΠ·Π½Π΅Π½Π½ΠΎΠ³ΠΎ ΡΠΈΠΊΠ»Π° ΡΠ΅ΠΌΠ°Π½ΡΠΈΡΠ΅ΡΠΊΠΈ ΡΠΎΠ²ΠΌΠ΅ΡΡΠΈΠΌΡΡ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΡΠ°Π»ΡΠ½ΡΡ ΠΊΠΎΠΌΠΏΡΡΡΠ΅ΡΠ½ΡΡ ΡΠΈΡΡΠ΅ΠΌ Π½ΠΎΠ²ΠΎΠ³ΠΎ ΠΏΠΎΠΊΠΎΠ»Π΅Π½ΠΈΡ
Π ΠΈΠ·Π΄Π°Π½ΠΈΠΈ ΠΏΡΠ΅Π΄ΡΡΠ°Π²Π»Π΅Π½ΠΎ ΠΎΠΏΠΈΡΠ°Π½ΠΈΠ΅ ΡΠ΅ΠΊΡΡΠ΅ΠΉ Π²Π΅ΡΡΠΈΠΈ ΠΎΡΠΊΡΡΡΠΎΠΉ ΡΠ΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΠΈ ΠΎΠ½ΡΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΏΡΠΎΠ΅ΠΊΡΠΈΡΠΎΠ²Π°Π½ΠΈΡ, ΠΏΡΠΎΠΈΠ·Π²ΠΎΠ΄ΡΡΠ²Π° ΠΈ ΡΠΊΡΠΏΠ»ΡΠ°ΡΠ°ΡΠΈΠΈ ΡΠ΅ΠΌΠ°Π½ΡΠΈΡΠ΅ΡΠΊΠΈ ΡΠΎΠ²ΠΌΠ΅ΡΡΠΈΠΌΡΡ
Π³ΠΈΠ±ΡΠΈΠ΄Π½ΡΡ
ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΡΠ°Π»ΡΠ½ΡΡ
ΠΊΠΎΠΌΠΏΡΡΡΠ΅ΡΠ½ΡΡ
ΡΠΈΡΡΠ΅ΠΌ (Π’Π΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΠΈ OSTIS). ΠΡΠ΅Π΄Π»ΠΎΠΆΠ΅Π½Π° ΡΡΠ°Π½Π΄Π°ΡΡΠΈΠ·Π°ΡΠΈΡ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΡΠ°Π»ΡΠ½ΡΡ
ΠΊΠΎΠΌΠΏΡΡΡΠ΅ΡΠ½ΡΡ
ΡΠΈΡΡΠ΅ΠΌ, Π° ΡΠ°ΠΊΠΆΠ΅ ΡΡΠ°Π½Π΄Π°ΡΡΠΈΠ·Π°ΡΠΈΡ ΠΌΠ΅ΡΠΎΠ΄ΠΎΠ² ΠΈ
ΡΡΠ΅Π΄ΡΡΠ² ΠΈΡ
ΠΏΡΠΎΠ΅ΠΊΡΠΈΡΠΎΠ²Π°Π½ΠΈΡ, ΡΡΠΎ ΡΠ²Π»ΡΠ΅ΡΡΡ Π²Π°ΠΆΠ½Π΅ΠΉΡΠΈΠΌ ΡΠ°ΠΊΡΠΎΡΠΎΠΌ, ΠΎΠ±Π΅ΡΠΏΠ΅ΡΠΈΠ²Π°ΡΡΠΈΠΌ ΡΠ΅ΠΌΠ°Π½ΡΠΈΡΠ΅ΡΠΊΡΡ ΡΠΎΠ²ΠΌΠ΅ΡΡΠΈΠΌΠΎΡΡΡ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΡΠ°Π»ΡΠ½ΡΡ
ΠΊΠΎΠΌΠΏΡΡΡΠ΅ΡΠ½ΡΡ
ΡΠΈΡΡΠ΅ΠΌ ΠΈ ΠΈΡ
ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½ΡΠΎΠ², ΡΡΠΎ
ΡΡΡΠ΅ΡΡΠ²Π΅Π½Π½ΠΎΠ΅ ΡΠ½ΠΈΠΆΠ΅Π½ΠΈΠ΅ ΡΡΡΠ΄ΠΎΠ΅ΠΌΠΊΠΎΡΡΠΈ ΡΠ°Π·ΡΠ°Π±ΠΎΡΠΊΠΈ ΡΠ°ΠΊΠΈΡ
ΡΠΈΡΡΠ΅ΠΌ.
ΠΠ½ΠΈΠ³Π° ΠΏΡΠ΅Π΄Π½Π°Π·Π½Π°ΡΠ΅Π½Π° Π²ΡΠ΅ΠΌ, ΠΊΡΠΎ ΠΈΠ½ΡΠ΅ΡΠ΅ΡΡΠ΅ΡΡΡ ΠΏΡΠΎΠ±Π»Π΅ΠΌΠ°ΠΌΠΈ ΠΈΡΠΊΡΡΡΡΠ²Π΅Π½Π½ΠΎΠ³ΠΎ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΠ°, Π° ΡΠ°ΠΊΠΆΠ΅ ΡΠΏΠ΅ΡΠΈΠ°Π»ΠΈΡΡΠ°ΠΌ Π² ΠΎΠ±Π»Π°ΡΡΠΈ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΡΠ°Π»ΡΠ½ΡΡ
ΠΊΠΎΠΌΠΏΡΡΡΠ΅ΡΠ½ΡΡ
ΡΠΈΡΡΠ΅ΠΌ ΠΈ ΠΈΠ½ΠΆΠ΅Π½Π΅ΡΠΈΠΈ Π·Π½Π°Π½ΠΈΠΉ. ΠΠΎΠΆΠ΅Ρ Π±ΡΡΡ ΠΈΡΠΏΠΎΠ»ΡΠ·ΠΎΠ²Π°Π½Π° ΡΡΡΠ΄Π΅Π½ΡΠ°ΠΌΠΈ, ΠΌΠ°Π³ΠΈΡΡΡΠ°Π½ΡΠ°ΠΌΠΈ ΠΈ Π°ΡΠΏΠΈΡΠ°Π½ΡΠ°ΠΌΠΈ ΡΠΏΠ΅ΡΠΈΠ°Π»ΡΠ½ΠΎΡΡΠΈ Β«ΠΡΠΊΡΡΡΡΠ²Π΅Π½Π½ΡΠΉ ΠΈΠ½ΡΠ΅Π»Π»Π΅ΠΊΡΒ».
Π’Π°Π±Π». 8. ΠΠ». 223. ΠΠΈΠ±Π»ΠΈΠΎΠ³Ρ.: 665 Π½Π°Π·Π²