972 research outputs found

    A Study on the Modeling and Simulation of Bio-inspired Hedgehog Spines Structures for More Efficient Use Digital Manufacturing Processes

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    Direct digital manufacture and additive manufacture have allowed designers the ability to design components without the design limitations witnessed in subtractive manufacturing process routes. In particular, designers can now design parts that fully utilize material usage resulting in a more sustainable and environmentally friendly application of manufacturing technology. Within this context, designing and manufacturing bio-inspired components have the potential to increase both component functionality and optimize material usage. One such area of biomimicry with advantageous strength-to-weight ratio can be found in hedgehog spines. Within this study, hedgehog spines were redesigned to facilitate production through additive manufacture. In addition, with the use of finite element analysis to quantify the resulting compressive characteristics, the optimal internal geometry and septa spacing were determined. Also, a design of experiments study was conducted to determine which design features have the greatest influence on the resulting stress in the spine. The analysis concluded that the combination of longitudinal stiffeners and equally spaced septa give the spine its superior compressive strength

    A scientific information extraction dataset for nature inspired engineering

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    Nature has inspired various ground-breaking technological developments in applications ranging from robotics to aerospace engineering and the manufacturing of medical devices. However, accessing the information captured in scientific biology texts is a time-consuming and hard task that requires domain-specific knowledge. Improving access for outsiders can help interdisciplinary research like Nature Inspired Engineering. This paper describes a dataset of 1,500 manually-annotated sentences that express domain-independent relations between central concepts in a scientific biology text, such as trade-offs and correlations. The arguments of these relations can be Multi Word Expressions and have been annotated with modifying phrases to form non-projective graphs. The dataset allows for training and evaluating Relation Extraction algorithms that aim for coarse-grained typing of scientific biological documents, enabling a high-level filter for engineers.Comment: Published in Proceedings of the 12th Conference on Language Resources and Evaluation (LREC 2020). Updated dataset statistics, results unchange

    Rh-POP Pincer Xantphos Complexes for C-S and C-H Activation. Implications for Carbothiolation Catalysis

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    The neutral Rh­(I)–Xantphos complex [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­Cl]<sub><i>n</i></sub>, <b>4</b>, and cationic Rh­(III) [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(H)<sub>2</sub>]­[BAr<sup>F</sup><sub>4</sub>], <b>2a</b>, and [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos-3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub>)­(H)<sub>2</sub>]­[BAr<sup>F</sup><sub>4</sub>], <b>2b</b>, are described [Ar<sup>F</sup> = 3,5-(CF<sub>3</sub>)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>; Xantphos = 4,5-bis­(diphenylphosphino)-9,9-dimethylxanthene; Xantphos-3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub> = 9,9-dimethylxanthene-4,5-bis­(bis­(3,5-bis­(trifluoromethyl)­phenyl)­phosphine]. A solid-state structure of <b>2b</b> isolated from C<sub>6</sub>H<sub>5</sub>Cl solution shows a Îș<sup>1</sup>-chlorobenzene adduct, [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos-3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub>)­(H)<sub>2</sub>(Îș<sup>1</sup>-ClC<sub>6</sub>H<sub>5</sub>)]­[BAr<sup>F</sup><sub>4</sub>], <b>3</b>. Addition of H<sub>2</sub> to <b>4</b> affords, crystallographically characterized, [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(H)<sub>2</sub>Cl], <b>5</b>. Addition of diphenyl acetylene to <b>2a</b> results in the formation of the C–H activated metallacyclopentadiene [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(ClCH<sub>2</sub>Cl)­(σ,σ-(C<sub>6</sub>H<sub>4</sub>)­C­(H)CPh)]­[BAr<sup>F</sup><sub>4</sub>], <b>7</b>, a rare example of a crystallographically characterized Rh–dichloromethane complex, alongside the Rh­(I) complex <i>mer</i>-[Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(η<sup>2</sup>-PhCCPh)]­[BAr<sup>F</sup><sub>4</sub>], <b>6</b>. Halide abstraction from [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­Cl]<sub><i>n</i></sub> in the presence of diphenylacetylene affords <b>6</b> as the only product, which in the solid state shows that the alkyne binds perpendicular to the Îș<sup>3</sup>-POP Xantphos ligand plane. This complex acts as a latent source of the [Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)]<sup>+</sup> fragment and facilitates <i>ortho</i>-directed C–S activation in a number of 2-arylsulfides to give <i>mer</i>-[Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(σ,Îș<sup>1</sup>-Ar)­(SMe)]­[BAr<sup>F</sup><sub>4</sub>] (Ar = C<sub>6</sub>H<sub>4</sub>COMe, <b>8</b>; C<sub>6</sub>H<sub>4</sub>(CO)­OMe, <b>9</b>; C<sub>6</sub>H<sub>4</sub>NO<sub>2</sub>, <b>10</b>; C<sub>6</sub>H<sub>4</sub>CNCH<sub>2</sub>CH<sub>2</sub>O, <b>11</b>; C<sub>6</sub>H<sub>4</sub>C<sub>5</sub>H<sub>4</sub>N, <b>12</b>). Similar C–S bond cleavage is observed with allyl sulfide, to give <i>fac</i>-[Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(η<sup>3</sup>-C<sub>3</sub>H<sub>5</sub>)­(SPh)]­[BAr<sup>F</sup><sub>4</sub>], <b>13</b>. These products of C–S activation have been crystallographically characterized. For <b>8</b> in situ monitoring of the reaction by NMR spectroscopy reveals the initial formation of <i>fac</i>-Îș<sup>3</sup>-<b>8</b>, which then proceeds to isomerize to the <i>mer</i>-isomer. With the <i>para</i>-ketone aryl sulfide, 4-SMeC <sub>6</sub>H<sub>4</sub>COMe, C–H activation <i>ortho</i> to the ketone occurs to give <i>mer</i>-[Rh­(Îș<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)­(σ,Îș<sup>1</sup>-4-(COMe)­C<sub>6</sub>H<sub>3</sub>SMe)­(H)]­[BAr<sup>F</sup><sub>4</sub>], <b>14</b>. The temporal evolution of carbothiolation catalysis using <i>mer</i>-Îș<sup>3</sup>-<b>8</b>, and phenyl acetylene and 2-(methylthio)­acetophenone substrates shows initial fast catalysis and then a considerably slower evolution of the product. We suggest that the initially formed <i>fac</i>-isomer of the C–S activation product is considerably more active than the <i>mer</i>-isomer (i.e., <i>mer</i>-<b>8</b>), the latter of which is formed rapidly by isomerization, and this accounts for the observed difference in rates. A likely mechanism is proposed based upon these data

    Differences in Intrinsic Gray-Matter Connectivity and their genomic underpinnings in Autism Spectrum Disorder

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    Comparative genomics reveals high biological diversity and specific adaptations in the industrially and medically important fungal genus Aspergillus

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