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971.
This paper addresses questions of universality related to ontological engineering, namely aims at substantiating (negative) answers to the following three basic questions: (i) Is there a ‘universal ontology’?, (ii) Is there a ‘universal formal ontology language’?, and (iii) Is there a universally applicable ‘mode of reasoning’ for formal ontologies? To support our answers in a principled way, we present a general framework for the design of formal ontologies resting on two main principles: firstly, we endorse Rudolf Carnap’s principle of logical tolerance by giving central stage to the concept of logical heterogeneity, i.e. the use of a plurality of logical languages within one ontology design. Secondly, to structure and combine heterogeneous ontologies in a semantically well-founded way, we base our work on abstract model theory in the form of institutional semantics, as forcefully put forward by Joseph Goguen and Rod Burstall. In particular, we employ the structuring mechanisms of the heterogeneous algebraic specification language HetCasl for defining a general concept of heterogeneous, distributed, highly modular and structured ontologies, called hyperontologies. Moreover, we distinguish, on a structural and semantic level, several different kinds of combining and aligning heterogeneous ontologies, namely integration, connection, and refinement. We show how the notion of heterogeneous refinement can be used to provide both a general notion of sub-ontology as well as a notion of heterogeneous equivalence of ontologies, and finally sketch how different modes of reasoning over ontologies are related to these different structuring aspects. 相似文献
972.
Oliver Kramer 《Memetic Computing》2010,2(1):69-83
In combinatorial solution spaces Iterated Local Search (ILS) turns out to be exceptionally successful. The question arises: is ILS also capable of improving the optimization process in continuous solution spaces? To demonstrate that hybridization leads to powerful techniques in continuous domains, we introduce a hybrid meta-heuristic that integrates Powell’s direct search method. It combines direct search with elements from population based evolutionary optimization. The approach is analyzed experimentally on a set of well known test problems and compared to a state-of-the-art technique, i.e., a restart variant of the Covariance Matrix Adaptation Evolution Strategy with increasing population sizes (G-CMA-ES). It turns out that the population-based Powell-ILS is competitive to the CMA-ES, in some cases even significantly faster and behaves more robust than the pure strategy of Powell in multimodal fitness landscapes. Further experiments on the perturbation mechanism, population sizes, and problems with noise complete the analysis of the hybrid methodology and lead to parameter recommendations. 相似文献
973.
Resolved sets of photoproducts arising from the photodissociation of axial and equatorial conformers of 3-pyrroline have been observed using H(Rydberg) atom photofragment translational spectroscopy following excitation in the wavelength range of 250-213 nm. 3-pyrroline (alternatively 2,5-dihydropyrrole) is a five membered partially saturated heterocycle in which the bonding around the N atom is pyramidal (sp(3) hybridized) and the N-H bond can lie either axial or equatorial to the ring. Careful analysis of total kinetic energy release data derived from H atom time-of-flight measurements reveals excitation of the 3-pyrrolinyl cofragment consistent with N-H bond fission in both the axial and equatorial conformers. This allows determination of the energy difference between the ground state conformers to be 340±50 cm(-1) and the N-H bond strength for axial and equatorial conformers as 31,610±50 and 31,270±50 cm(-1), respectively. 相似文献
974.
975.
976.
Xiaosong Hu Qingfeng Pan Bruce C. Noll Allen G. Oliver Anthony S. Serianni 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(2):o67-o70
Methyl β‐d ‐galactopyranosyl‐(1→4)‐α‐d ‐mannopyranoside methanol 0.375‐solvate, C13H24O11·0.375CH3OH, (I), was crystallized from a methanol–ethanol solvent system in a glycosidic linkage conformation, with ϕ′ (O5Gal—C1Gal—O1Gal—C4Man) = −68.2 (3)° and ψ′ (C1Gal—O1Gal—C4Man—C5Man) = −123.9 (2)°, where the ring is defined by atoms O5/C1–C5 (monosaccharide numbering); C1 denotes the anomeric C atom and C6 the exocyclic hydroxymethyl C atom in the βGalp and αManp residues, respectively. The linkage conformation in (I) differs from that in crystalline methyl α‐lactoside [methyl β‐d ‐galactopyranosyl‐(1→4)‐α‐d ‐glucopyranoside], (II) [Pan, Noll & Serianni (2005). Acta Cryst. C 61 , o674–o677], where ϕ′ is −93.6° and ψ′ is −144.8°. An intermolecular hydrogen bond exists between O3Man and O5Gal in (I), similar to that between O3Glc and O5Gal in (II). The structures of (I) and (II) are also compared with those of their constituent residues, viz. methyl α‐d ‐mannopyranoside, methyl α‐d ‐glucopyranoside and methyl β‐d ‐galactopyranoside, revealing significant differences in the Cremer–Pople puckering parameters, exocyclic hydroxymethyl group conformations and intermolecular hydrogen‐bonding patterns. 相似文献
977.
The first lanthanum fluoride borate La4B4O11F2 was obtained in a Walker-type multianvil apparatus at 6 GPa and 1300 °C. La4B4O11F2 crystallizes in the monoclinic space group P21/c with the lattice parameters a=778.1(2) pm, b=3573.3(7) pm, c=765.7(2) pm, β=113.92(3)° (Z=8), and represents a new structure type in the class of compounds with the composition RE4B4O11F2. The crystal structure contains BO4-tetrahedra interconnected with two BO3-groups via common vertices, B2O5-pyroborate units, and isolated BO3-groups. The structure shows a wave-like modulation along the b-axis. The crystal structure and properties of La4B4O11F2 are discussed and compared to Gd4B4O11F2. 相似文献
978.
Loew M Springer R Scolari S Altenbrunn F Seitz O Liebscher J Huster D Herrmann A Arbuzova A 《Journal of the American Chemical Society》2010,132(45):16066-16072
Lipid domains in mammalian plasma membranes serve as platforms for specific recruitment or separation of proteins involved in various functions. Here, we have applied this natural strategy of lateral separation to functionalize lipid membranes at micrometer scale in a switchable and reversible manner. Membrane-anchored peptide nucleic acid and DNA, differing in their lipophilic moieties, partition into different lipid domains in model and biological membranes. Separation was visualized by hybridization with the respective complementary fluorescently labeled DNA strands. Upon heating, domains vanished, and both lipophilic nucleic acid structures intermixed with each other. Reformation of the lipid domains by cooling led again to separation of membrane-anchored nucleic acids. By linking appropriate structures/functions to complementary strands, this approach offers a reversible tool for triggering interactions among the structures and for the arrangement of reactions and signaling cascades on biomimetic surfaces. 相似文献
979.
Barth S Marburger S Joshi S Ulrich V Kugeler O Hergenhahn U 《Physical chemistry chemical physics : PCCP》2006,8(27):3218-3222
We use an autoionization process that involves ultrafast energy transfer to neighbouring sites to characterize the formation of NeAr van der Waals bonds in clusters formed by a coexpansion of both gases. This autoionization process, the so-called interatomic or intermolecular coulombic decay (ICD), is ubiquitous in weakly bonded systems. The energy of the electron being emitted in the ICD process is shown to be characteristic of the two neighbouring entities and is therefore suggested as a new means for structural investigation, such as interface identification, of weakly bonded complexes. 相似文献
980.
Berger T Diwald O Knözinger E Sterrer M Yates JT 《Physical chemistry chemical physics : PCCP》2006,8(15):1822-1826
When isolated TiO(2) nanocrystals are subjected to UV light at 77 K and pressures below 10(-6) mbar, trapping of photogenerated hole centers occurs on the surface of the nanocrystals and can be tracked by time-resolved electron paramagnetic resonance spectroscopy. Irrespective of the selected UV irradiance used, the maximum concentration of trapped charges was found to be constant for a given number of nanocrystals ( approximately 10(15)) and corresponds to one electron-hole pair per particle. On a time scale of seconds to minutes the dynamics for the trapping process depend on the number of photons with supra band gap energy. A local temperature rise of the TiO(2) nanocrystals was observed for irradiances above 1.55 mW cm(-2) (10(15) photons cm(-2) s(-1)). This is attributed to enhanced nonradiative recombination of photogenerated charge carriers via heat production and points to a substantial contribution of thermal chemistry in photocatalytic reaction cycles. 相似文献