Qualitative operators for reasoning maps: Evaluating multi-criteria options with networks of reasons

Cognitive/causal maps have been widely used as a powerful way of capturing decision-makers’ views about a problem, representing it as a cause–effect discourse. Several ways of making causal inferences from this type of model have been proposed in the Operational Research and Artificial Intelligence literatures, but none, as far as we are aware, has attempted to use a causal map structure to perform a multi-criteria evaluation of decision alternatives. Recently, we have proposed a new multi-criteria method, denominated as a Reasoning Map, which permits the use of decision-makers’ reasoning, structured as a network of means-and-ends (a particular type of causal map) to perform such an evaluation. In this manner, the model resembles the way that people talk and think about decisions in practice. The method also pays explicit attention to the cognitive limitations of decision-makers in providing preference information. Thus it employs qualitative assessment of preferences, utilises aggregation operators for qualitative data and provides also qualitative outputs. In this paper we discuss and evaluate possible ways of aggregating qualitative performance information in Reasoning Maps.     

ChemInform Abstract: An ab initio Theoretical Study of the Electronic Structure of UO2+ and [UO2(CO3)3]5‐.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

Ansa‐Complexes of [Mn(η5‐C5H5)(η6‐C6H6)]: Preparation,Characterization, and Reactivity of [n]Manganoarenophanes (n=1, 2, 3)

We report the synthesis of [n]manganoarenophanes (n=1, 2) featuring boron, silicon, germanium, and tin as ansa‐bridging elements. Their preparation was achieved by salt‐elimination reactions of the dilithiated precursor [Mn(η⁵‐C₅H₄Li)(η⁶‐C₆H₅Li)]?pmdta (pmdta=N,N,N′,N′,N′′‐pentamethyldiethylenetriamine) with corresponding element dichlorides. Besides characterization by multinuclear NMR spectroscopy and elemental analysis, the identity of two single‐atom‐bridged derivatives, [Mn(η⁵‐C₅H₄)(η⁶‐C₆H₅)SntBu₂] and [Mn(η⁵‐C₅H₄)(η⁶‐C₆H₅)SiPh₂], could also be determined by X‐ray structural analysis. We investigated for the first time the reactivity of these ansa‐cyclopentadienyl–benzene manganese compounds. The reaction of the distannyl‐bridged complex [Mn(η⁵‐C₅H₄)(η⁶‐C₆H₅)Sn₂tBu₄] with elemental sulfur was shown to proceed through the expected oxidative addition of the Sn?Sn bond to give a triatomic ansa‐bridge. The investigation of the ring‐opening polymerization (ROP) capability of [Mn(η⁵‐C₅H₄)(η⁶‐C₆H₅)SntBu₂] with [Pt(PEt₃)₃] showed that an unexpected, unselective insertion into the C_ipso?Sn bonds of [Mn(η⁵‐C₅H₄)(η⁶‐C₆H₅)SntBu₂] had occurred.     

Magnetic dilution of the iron sublattice in CoFe2−xScxO4 (0≤x≤1)

Substitution of Fe for Sc in CoFe₂O₄ spinel structure is presented. All CoFe_2−xSc_xO₄ compounds crystallize in the spinel type structure (space group Fd3?m). By using X-ray diffraction studies, magnetic measurements and in-field ⁵⁷Fe Mössbauer spectrometry, the limit of substitution has been determined to be equal to x=0.56. An increase in the cell parameter and the strains and a decrease in the apparent crystallites size are observed. For x>0.3, a partial oxidation of cobalt is evidenced and Co³⁺ is stabilized in the structure. A ferromagnetic behavior has been observed for all investigated compounds. As x increases, the Curie temperature and the hyperfine fields decrease. Following the Stephenson model, the diminution of T_C is ascribed to a decrease of the main J_AB interaction.     

Competing Effects of Chlorination on the Strength of Te⋅⋅⋅O Chalcogen Bonds Select the Structure of Mixed Supramolecular Macrocyclic Aggregates of Iso-Tellurazole N-Oxides

Chlorination of 3-methyl-5-phenyl-1,2-tellurazole-2-oxide yielded the λ⁴Te dichloro derivative. Its crystal structure demonstrates that the heterocycle retains its ability to autoassociate by chalcogen bonding (ChB) forming macrocyclic tetramers. The corresponding Te⋅⋅⋅O ChB distances are 2.062 Å, the shortest observed to date in aggregates of this type. DFT−D3 calculations indicate that while the halogenated molecule is stronger as a ChB donor it also is a weaker ChB acceptor; the overall effect is that the ChBs in the chlorinated homotetramer are not significantly stronger. However, partial halogenation or scrambling selectively yield the 2 : 2 heterotetramer with alternating λ⁴Te and λ²Te centers, which calculations identified as the thermodynamically preferred arrangement.     

Mixed‐Metal MIL‐100(Sc,M) (M=Al,Cr, Fe) for Lewis Acid Catalysis and Tandem CC Bond Formation and Alcohol Oxidation

The trivalent metal cations Al³⁺, Cr³⁺, and Fe³⁺ were each introduced, together with Sc³⁺, into MIL‐100(Sc,M) solid solutions (M=Al, Cr, Fe) by direct synthesis. The substitution has been confirmed by powder X‐ray diffraction (PXRD) and solid‐state NMR, UV/Vis, and X‐ray absorption (XAS) spectroscopy. Mixed Sc/Fe MIL‐100 samples were prepared in which part of the Fe is present as α‐Fe₂O₃ nanoparticles within the mesoporous cages of the MOF, as shown by XAS, TGA, and PXRD. The catalytic activity of the mixed‐metal catalysts in Lewis acid catalysed Friedel–Crafts additions increases with the amount of Sc present, with the attenuating effect of the second metal decreasing in the order Al>Fe>Cr. Mixed‐metal Sc,Fe materials give acceptable activity: 40 % Fe incorporation only results in a 20 % decrease in activity over the same reaction time and pure product can still be obtained and filtered off after extended reaction times. Supported α‐Fe₂O₃ nanoparticles were also active Lewis acid species, although less active than Sc³⁺ in trimer sites. The incorporation of Fe³⁺ into MIL‐100(Sc) imparts activity for oxidation catalysis and tandem catalytic processes (Lewis acid+oxidation) that make use of both catalytically active framework Sc³⁺ and Fe³⁺. A procedure for using these mixed‐metal heterogeneous catalysts has been developed for making ketones from (hetero)aromatics and a hemiacetal.     

Sigma-Boundary Statistics by Length and Number

This paper presents a rationale for comparative use of length fraction and number fraction statistics in grain boundary analysis from orientation maps generated by electron back-scatter diffraction (EBSD). The length and number fraction statistics for 3 ⁿ coincidence site lattice (CSL) boundaries were measured and compared. The length fraction of 3 boundaries was 0.48 whereas the number fraction was significantly less, 0.36. A simple model was generated to estimate both the length fraction and number fraction of annealing twins (a subset of 3). The model showed that the number fraction of twins is 0.68, 0.75, 0.79 and 0.82 of the length fraction for 1, 2, 3 and 4 twins-per-grain respectively. For the experimental data the number fraction was 0.76 of the length fraction, implying that there were on average two twins-per-grain. In contrast to the 3 case, the length fraction for 9 and 27 boundaries was less than the number fraction. There are more inaccuracies involved in obtaining the number fraction than in obtaining the length fraction from EBSD maps, therefore the length fraction should be recommended as the standard reporting method. However a knowledge of the distribution in the microstructure of 3 ⁿ segments is often crucial to the inquiry in addition to the length fraction.     

Non-equivalence Magnetique en Resonance Nucleaire—IV. Influence de Plusieurs Types de Dissymetries sur les Deplacements Chimiques et les Couplages Relatifs a des Systemes ?O?CH2?CH3 et ?S?CH2?CH3

Magnetic non-equivalence of methylenic protons in A? CH₂? CH₃ groups were studied for several types of compounds. Results are compared with respect (1) to the nature of heteroatom A:A = O and A = S and (2) to the structure of the local dissymmetry element: asymmetric carbon, ketal group and allenic system. Influence of substitution is discussed in relation to conformational problems. Furthermore a variation of the methylene geminal coupling constant with substituents of carbon α to OEt is observed.     

Resonant scattering of Lyman alpha radiation as a neutral density diagnostic for fusion plasmas

Resonance fluorescence of neutral hydrogen illuminated by Lyman alpha radiation (1216Å) provides a technique for spatially and temporally resolved density measurements of neutral hydrogen isotopes in magnetically confined fusion plasmas or other similar environments. An analysis of the magnitude of expected fluorescence signals and integrated background radiation is developed and applied to typical fusion plasmas. Assuming that intense Lyman alpha sources, based on nonlinear laser frequency mixing techniques, are available, the feasibility of the method is demonstrated for neutral densities as low as a few times 10⁷ cm^-3 in DITE, PLT and TFTR. Suggestions are made for spectroscopic measurements on current and future Tokamak devices, to obtain additional data of interest for this application.