199 research outputs found
A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)
The title compound, 0.897C30H48O3.0.103C30H47O2F is a co-crystal of two triterpenes isolated from the resin of Canarium schweinfurthiiand Engl. Both triterpenes consists of four trans-fused rings having chair/half-chair/half-chair and envelope conformations. The molecular conformations are stabilized by intramolecular C—H⋯O hydrogen bonds, forming rings of S(7) graph-set motif. In the crystal, molecules are linked by intermolecular O—H⋯O and C—H⋯O interactions, forming sheets parallel to (001). All atoms. excepting the axially-oriented hydroxyl group in the major component and the equatorially-oriented fluorine atom in the minor component, are overlapping
A Unifying Variational Framework for Gaussian Process Motion Planning
To control how a robot moves, motion planning algorithms must compute paths
in high-dimensional state spaces while accounting for physical constraints
related to motors and joints, generating smooth and stable motions, avoiding
obstacles, and preventing collisions. A motion planning algorithm must
therefore balance competing demands, and should ideally incorporate uncertainty
to handle noise, model errors, and facilitate deployment in complex
environments. To address these issues, we introduce a framework for robot
motion planning based on variational Gaussian Processes, which unifies and
generalizes various probabilistic-inference-based motion planning algorithms.
Our framework provides a principled and flexible way to incorporate
equality-based, inequality-based, and soft motion-planning constraints during
end-to-end training, is straightforward to implement, and provides both
interval-based and Monte-Carlo-based uncertainty estimates. We conduct
experiments using different environments and robots, comparing against baseline
approaches based on the feasibility of the planned paths, and obstacle
avoidance quality. Results show that our proposed approach yields a good
balance between success rates and path quality
3α-Hydroxytirucalla-8,24-dien-21-oic acid
The title compound, C30H48O3, a triterpene isolated from the resin of canarium schweinfurthiiand, is an isomer of the previously reported triterpene 3α-hydroxytirucalla-7,24-dien-21-oic acid [Mora et al. (2001 ▶). Acta Cryst. C57, 638–640], which crystallizes in the same trigonal space group. The title molecule consists of four fused rings having chair, half-chair, half-chair and envelope conformations for rings A, B, C and D, respectively (steroid labelling). An intramolecular C—H⋯O hydrogen bond generates an S(7) ring. In the crystal, molecules are linked by O—H⋯O and C—H⋯O interactions, forming (001) sheets
Rh-POP Pincer Xantphos Complexes for C-S and C-H Activation. Implications for Carbothiolation Catalysis
The neutral Rh(I)–Xantphos
complex [Rh(κ<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)Cl]<sub><i>n</i></sub>, <b>4</b>, and cationic Rh(III) [Rh(κ<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(κ<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 κ<sup>1</sup>-chlorobenzene
adduct, [Rh(κ<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>(κ<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(κ<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(κ<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(κ<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(κ<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 κ<sup>3</sup>-POP Xantphos ligand plane.
This complex acts as a latent source of the [Rh(κ<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(κ<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)(σ,κ<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(κ<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>-κ<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(κ<sup>3</sup>-<sub>P,O,P</sub>-Xantphos)(σ,κ<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>-κ<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
Bis(2-aminothiazolium) succinate succinic acid
In the title compound, 2C3H5N2S+·C4H4O4
2−·C4H6O4, the thiazolium ring is almost planar, with the maximum deviation from planarity being 0.0056 (8) Å for the C atom carrying the amine substituent. The N atom of the 2-aminothiazole molecule is protonated. Both the anion and the acid lie across inversion centres. The crystal packing is consolidated by intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. Molecules are stacked down the b axis
2-Ethylpiperidinium chloride
In the title molecular salt, C7H16N+·Cl−, the piperidinium ring adopts a chair conformation. In the crystal, the two components are connected by N—H⋯Cl and C—H⋯Cl hydrogen bonds, forming a supramolecular double-chain structure along the c axis
Political transition and emergent forest-conservation issues in Myanmar.
Political and economic transitions have had substantial impacts on forest conservation. Where transitions are underway or anticipated, historical precedent and methods for systematically assessing future trends should be used to anticipate likely threats to forest conservation and design appropriate and prescient policy measures to counteract them. Myanmar is transitioning from an authoritarian, centralized state with a highly regulated economy to a more decentralized and economically liberal democracy and is working to end a long-running civil war. With these transitions in mind, we used a horizon-scanning approach to assess the 40 emerging issues most affecting Myanmar's forests, including internal conflict, land-tenure insecurity, large-scale agricultural development, demise of state timber enterprises, shortfalls in government revenue and capacity, and opening of new deforestation frontiers with new roads, mines, and hydroelectric dams. Averting these threats will require, for example, overhauling governance models, building capacity, improving infrastructure- and energy-project planning, and reforming land-tenure and environmental-protection laws. Although challenges to conservation in Myanmar are daunting, the political transition offers an opportunity for conservationists and researchers to help shape a future that enhances Myanmar's social, economic, and environmental potential while learning and applying lessons from other countries. Our approach and results are relevant to other countries undergoing similar transitions
2,6-Difluorobenzoic acid
In the title compound, C7H4F2O2, the dihedral angle between the benzene ring and the carboxylate group is 33.70 (14)°. In the crystal structure, inversion dimers linked by pairs of O—H⋯O hydrogren bonds occur, generating R
2
2(8) loops. The dimers are linked into sheets lying parallel to (102) by C—H⋯F hydrogen bonds
N,N′-[4,4′-Methylenebis(4,1-phenylene)]bis(2,6-difluorobenzamide)
The complete molecule of the title compound, C27H18F4N2O2, is generated by crystallographic twofold symmetry, with one C atom lying on the rotation axis. The dihedral angle between fluoro-substituted phenyl ring and the adjacent benzene ring is 10.37 (5)°. In the crystal, molecules are connected by N—H⋯O and C—H⋯F hydrogen bonds, resulting in supramolecular chains propagating along the c direction
Monoclinic polymorph of poly[aqua(μ4-hydrogen tartrato)sodium]
A monoclinic polymorph of the title compound, [Na(C4H5O6)(H2O)]n, is reported and complements an orthorhombic form [Kubozono, Hirano, Nagasawa, Maeda & Kashino (1993 ▶). Bull. Chem. Soc. Jpn, 66, 2166–2173]. The asymmetric unit contains a hydrogen tartrate anion, an Na+ cation and a water molecule. The Na+ ion is surrounded by seven O atoms derived from one independent and three symmetry-related hydrogen tartrate anions, and a water molecule, forming a distorted pentagonal–bipyramidal geometry. Independent units are linked via a pair of intermolecular bifurcated O—H⋯O acceptor bonds, generating an R
2
1(6) ring motif to form polymeric two-dimensional arrays parallel to the (100) plane. In the crystal packing, the arrays are linked by adjacent ring motifs, together with additional intermolecular O—H⋯O interactions, into a three-dimensional network
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