Search results for "ylid"
showing 10 items of 1155 documents
Rainfall energy harvester
2015
This chapter provides a detailed study on the harvest of the energy contained in raindrops by means of piezoelectric transducers. The energy harvester has the role of an electric source, able to recharge storage devices of small electronic components, such wireless sensors, by using the vibrational energy released by the drops hitting the transducer, reducing in such a way the chemical waste of conventional batteries. In technical literature, diverse studies agree on the level of suitable generated voltage on the electrodes of a piezoelectric transducer subjected to rainfall, but a complete characterization on the supplied power is still missing. This work, also to limit optimistic forecast…
The stream-dwelling tadpole ofHyloscirtus charazani(Anura: Hylidae) from Andean Bolivia
2005
Abstract We describe the lotic larva of Hyloscirtus charazani from Charazani and nearby areas, Departamento La Paz, Bolivia (2700–3200 m a.s.l.). It is morphologically undistinguishable from tadpoles of H. armatus sensu lato. These tadpoles show stream adaptation through a robust body with strong tail musculature, enlarged oral disc, increased number of labial tooth rows, and complete marginal papillae. Furthermore, they have a large saccular structure that underlies the limb buds, encloses the vent tube, and partially covers the hindlimbs during their development. Resumen Describimos la larva lotica de Hyloscirtus charazani de Charazani y de otra localidad cercana, Departamento La Paz, Bol…
Scalable Constant pH Molecular Dynamics in GROMACS
2022
Molecular dynamics (MD) computer simulations are used routinely to compute atomistic trajectories of complex systems. Systems are simulated in various ensembles, depending on the experimental conditions one aims to mimic. While constant energy, temperature, volume, and pressure are rather straightforward to model, pH, which is an equally important parameter in experiments, is more difficult to account for in simulations. Although a constant pH algorithm based on the λ-dynamics approach by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414–2423] was implemented in a fork of the GROMACS molecular dynamics program, uptake has been rather limited, presumably due to…
Synthesis of 2-anilinobenzimidates, anthranilamides, and 2,3-dihydroquinazolin-4(1H)-ones from N-heterocyclic carbenes of indazole
2015
N-Heterocyclic carbenes of indazole (indazol-3-ylidenes), which are substituted at N1 with aromatics were generated in situ from the corresponding indazolium salts. At 60 °C the indazol-3-ylidenes underwent a ring-opening under N–N bond cleavage to intermediary N-(6-methylenecyclohexa-2,4-dien-1-ylidene)anilines. Trapping of these intermediates by alcohols proved to be a convenient method for the preparation of 2-anilinobenzimidates, which have scarcely been described in the literature. The reaction temperature avoids carbene dimerization, which occurs at −80 °C or rearrangement of the ring-opened intermediate to acridines, which affords 100 °C. Water converted the ring-opened products into…
N-Heterocyclic carbenes from ylides of indolyl-imidazolium, azaindolyl-imidazolium, and indolyl-triazolium salts, and their borane adducts
2014
Abstract Indol-2-yl-imidazolium salts were deprotonated at N1 of the indole ring to give ylides. Their tautomeric N-heterocyclic carbenes (NHCs) were trapped by sulfur to give imidazole-2-thiones. Treatment of the ylides with triethylborane resulted in the formation of zwitterionic borane adducts. An analogous sequence of reactions was performed with 8-azaindol-2-yl-imidazolium salts, which served as precursor to prepare first representatives of a new heterocyclic ring system on reaction of their NHC-tautomers with triethylborane. Similarly, an indol-2-yl-1,2,4-triazolium salt was examined with respect to ylide–NHC tautomerism and trapping reactions. A nucleophilic ring transformation of in…
The equilibrium structure of propadienylidene
1999
Abstract A coupled-cluster study of the equilibrium geometry of propadienylidene (C3H2) is presented. Deviations between a recently reported experimental re structure and those computed at the CCSD(T)/cc-pVQZ and CCSD(T)/cc-pCVQZ levels are larger than expected. A closer analysis reveals that this discrepancy is due to inaccuracies in the cubic force field that was used to correct the measured rotational constants for vibrational effects. A satisfactory agreement between theory and experiment is obtained if the vibrational effects on the rotational constants are computed from harmonic and cubic force fields determined at either the CCSD(T)/cc-pVTZ and CCSD(T)/cc-pCVTZ levels. Revised values…
CCDC 619596: Experimental Crystal Structure Determination
2006
Related Article: R.Corberan, M.Sanau, E.Peris|2006|Organometallics|25|4002|doi:10.1021/om060343r
CCDC 619594: Experimental Crystal Structure Determination
2006
Related Article: R.Corberan, M.Sanau, E.Peris|2006|Organometallics|25|4002|doi:10.1021/om060343r
Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.
2015
A series of original spiropyrrolizidine derivatives has been prepared by a one-pot three-component [3 + 2] cycloaddition reaction of (E)-3-arylidene-1-phenyl-pyrrolidine-2,5-diones, l-proline, and the cyclic ketones 1H-indole-2,3-dione (isatin), indenoquinoxaline-11-one and acenaphthenequinone. We disclose an unprecedented isomerization of some spiroadducts leading to a new family of spirooxindolepyrrolizidines. Furthermore, these cycloadducts underwent retro-1,3-dipolar cycloaddition yielding unexpected regioisomers. Upon treatment of the dipolarophiles with in situ generated azomethine ylides from l-proline or acenaphthenequinone, formation of spiroadducts and unusual polycyclic fused pip…
p class="ZootaxaTitle"First description of immature stages of Gastropini, Gastrops willistoni Cresson (Diptera: Ephydridae) preying on eggs in a foam…
2020
The third instar larva and puparium of Gastrops willistoni Cresson (Diptera: Ephydridae), preying on eggs in a foam nest of Leptodactylus knudseni Heyer (Anura: Leptodactylidae), in a central Amazonian dryland forest (Brazil) are described for the first time. The fusiform larva has a short breathing tube, its anterior spiracles are fan-shaped and posterior spiracles with three spircular openings. Pupa is ovoid with a broad anterior margin and bifurcate posterior tip. The taxonomic relationship of the frog egg predators, Gastrops Williston and Typopsilopa Cresson, are discussed.