Search results for "Alder"

Carbon dioxide diffuse emission and thermal energy release from hydrothermal systems at Copahue-Caviahue Volcanic Complex (Argentina)

2015

Fil: Chiodini, Giovanni. Istituto Nazionale di Geofisica e Vulcanologia, Sezione di Bologna. Bologna, Italia. Fil: Cardellini, Carlo. Università degli Studi di Perugia, Dipartimento di Fisica e Geologia. Perugia, Italy. Fil: Lamberti, María C. Universidad de Buenos Aires. Instituto de Estudios Andinos. Buenos Aires, Argentina. Fil: Agusto, Mariano. Universidad de Buenos Aires. Instituto de Estudios Andinos. Buenos Aires, Argentina. Fil: Caselli, Alberto Tomás Universidad Nacional de Río Negro. Instituto de Investigación en Paleobiología y Geología. Río Negro. Argentina. Fil: Liccioli, Caterina. Universidad de Buenos Aires. Instituto de Estudios Andinos. Buenos Aires, Argentina. Fil: Tambure…

Gradual caldera collapse at Bardarbunga volcano, Iceland, regulated by lateral magma outflow

2016

Large volcanic eruptions on Earth commonly occur with a collapse of the roof of a crustal magma reservoir, forming a caldera. Only a few such collapses occur per century, and the lack of detailed observations has obscured insight into the mechanical interplay between collapse and eruption.We usemultiparameter geophysical and geochemical data to show that the 110-square kilometer and 65-meter-deep collapse of Bárdarbunga caldera in 2014–2015 was initiated through withdrawal of magma, and lateral migration through a 48-kilometers-long dike, from a 12-kilometers deep reservoir. Interaction between the pressure exerted by the subsiding reservoir roof and the physical properties of the subsurfac…

Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system

2013

[EN] The thermal and Lewis acid (LA) catalyzed cyclizations of quinone 1 involved in the synthesis of Colombiasin A and Elipsaterosin B have been theoretically studied using DFT methods at the B3LYP/6-311G(d,p) computational level. B3LYP calculations suggest that the formal endo [4 + 2] cycloadduct allowing the synthesis of Colombiasin A is preferentially formed under thermal conditions, while in the presence of the BF3 LA catalyst the formal [5 + 2] cycloadduct is seen, allowing the synthesis of Elipsaterosin B. The BF3 LA catalyst not only accelerates the nucleophilic attack on the C2 carbon of the quinone framework through a more polar C-C bond formation, but also provokes a different el…

Understanding the regioselectivity in hetero Diels–Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

2013

[EN] The regioselectivity in the hetero Diels-Alder reaction between nitrosoethylene 1 and 1-vinylpyrrolidine 2 has been studied by a comparative ELF bonding analysis along the IRC of the endo/ortho and endo/meta regioisomeric channels at the B3LYP/6-31G*. level. Along the most favorable endo/ortho regioisomeric channel, the C-C sigma bond is first formed by coupling of two pseudoradical centers located at the most electrophilic carbon of 1 and the most nucleophilic center of 2. Formation of these relevant pseudoradical centers, which depend on the total charge transfer process along the polar reaction, and not on the approach mode of each reagent, is well characterized by analysis of the a…

Chemical composition of lipophilic extractives from grey alder (Alnus incana)

2013

The chemical composition of the lipophilic extractives in the hexane extracts from grey alder bark, knotwood, and cones has been investigated by gas chromatography and gas chromatography-mass spectrometry. The efficiency of two extraction methods was compared. The highest amount of lipophilic extractives (about 9% of o.d. material) was observed in grey alder cone, while the lowest (about 3%) was found in knotwood. The three different morphological parts of alder showed significant differences not only in the content but also in composition of extractives, namely fatty acids, triglycerides, and triterpenes. The main identified compounds were triterpenoids (lupen-3-one, lupeol, betulone, betu…

Unveiling the Intramolecular Ionic Diels–Alder Reactions within Molecular Electron Density Theory

2021

The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF) of dieniminiums showed that their electronic structures can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic character of dieniminiums accounts for the high intramolecular global electron density transfer taking place from the diene framework to the iminium one at the transition state structures (TSs) of these IIDA reactions, which are classified as the forward electro density flux. The activation enthalpy ass…

Diels-Alder Reactions of Tetraphenylcyclopentadienones in Nanochannels: Fabrication of Nanotubes from Hyperbranched Polyphenylenes

2005

Efficient microwave-mediated synthesis of fullerene acceptors for organic photovoltaics

2014

Two different processes, namely the Bamford–Stevens and [4 + 2] Diels Alder reactions, have been optimized under microwave irradiation for the functionalization of fullerenes. In this manner, all the main C60- and C70-based acceptor derivatives for organic solar cells such as PCBM, DPM, BHN and ICBA, have been prepared in higher yields and shorter reaction times with respect to the reported data. These findings represent a step forward toward the wide production of cheaper organic solar cells as a consequence of the cost abatement of the acceptors given by higher yields, lower waste production, and reduced reaction time which means a strong energy saving.

On the enhancement of stereoselection by cooperation between chiral auxiliaries. Asymmetric diels-alder reactions with fumaric acid bis ((S)-proline …

1989

Abstract Fumaric acid bis ((S)-proline benzyl ester) amide reacts with cyclopentadiene in thermal and Lewis acid catalyzed Diels-Alder reactions to give the cycloadducts with high yields and diastereomeric ratios up to 100:1.

Polymorphism in Developmental Mode and Its Effect on Population Genetic Structure of a Spionid Polychaete, Pygospio elegans

2012

Population genetic structure of sedentary marine species is expected to be shaped mainly by the dispersal ability of their larvae. Long-lived planktonic larvae can connect populations through migration and gene flow, whereas species with nondispersive benthic or direct-developing larvae are expected to have genetically differentiated populations. Poecilogonous species producing different larval types are ideal when studying the effect of developmental mode on population genetic structure and connectivity. In the spionid polychaete Pygospio elegans, different larval types have been observed between, and sometimes also within, populations. We used microsatellite markers to study population st…