Search results for "force"

Stereocontrolled synthesis of azeto[2,1-b] quinazolines bearing three stereocenters via the intramolecular [2+2] cycloaddition between ketenimines an…

2004

Abstract A highly stereoselective synthesis of azeto[2,1- b ]quinazolines bearing three stereocenters (C1, C2, and C8) has been achieved via intramolecular [2+2] cycloaddition between ketenimine and imine functions supported on an ortho -benzylic scaffold. An asymmetric center adjacent to the iminic nitrogen atom, the future C8 carbon of the bicyclic product, efficiently controls the absolute configuration of the two new stereogenic carbon atoms of the azetidine ring, C1 and C2.

Understanding the mechanism of stereoselective synthesis of cyclopentenes via N-heterocyclic carbene catalyzed reactions of enals with enones.

2010

The N-heterocyclic carbene (NHC) catalyzed addition of enals to enones to yield trans-cyclopentenes has been investigated using DFT methods at B3LYP/6-31G** computational level. This NHC catalyzed reaction comprises several steps. The first one is the formation of a Breslow intermediate, which nucleophilically attacks to the conjugated position of the enone to yield an enol-enolate. This second step is responsible for the trans relationship at the final cyclopentene. An intramolecular aldolic condensation allows for the formation of the alkoxy cyclopentane intermediate, that by intramolecular nucleophilic attack on the carbonyl group yields a bicyclic ether. The extrusion of the NHC catalys…

Pyrene derived functionalized low molecular weight organic gelators and gels

2008

Pyrene derived binary functionalized low molecular weight organic gelators (FLMOGs) and gels thereof in selected organic solvents were synthesized and characterized. The functionality refers to a functional group that does not take part in formation of the supramolecular gel network, but remains free and available for other purposes, such as to bind nanoparticles or other molecules into the gel structure. Functional groups were observed to disturb gel formation strongly, if they interact with each other within the same supramolecule due to the formation of competitive structures. Preventing such interactions restored the original gel properties. A gel with weaker supramolecular bonding than…

Templating: Substrate Templating upon Self-Assembly of Hydrogen-Bonded Molecular Networks on an Insulating Surface (Small 19/2012)

2012

Electric and elastic properties of conductive polymeric nanocomposites on macro- and nanoscales

2002

Abstract In the past several years, the macroscopic electric and elastic properties of conductive polymeric composites have been studied from the viewpoint of such applications as thermistors and pressure sensors. In particular, we studied carbon black (CB) polymeric nanocomposites on macro- and nanoscales, using polyisoprene as the composite matrix. The filler component was an extra conductive carbon black (PRINTEX XE2, DEGUSSA) with a primary particle diameter of about 30 nm. A very strong reversible tensoresistive effect of electric resistance dependence on uniaxial tension deformation was observed in composites with the 10 carbon black mass parts added to 100 mass parts of polyisoprene.…

Evolution of Cooperation Patterns in Psoriasis Research: Co-Authorship Network Analysis of Papers in Medline (1942–2013)

2015

BackgroundAlthough researchers have worked in collaboration since the origins of modern science and the publication of the first scientific journals in the eighteenth century, this phenomenon has acquired exceptional importance in the last several decades. Since the mid-twentieth century, new knowledge has been generated from within an ever-growing network of investigators, working cooperatively in research groups across countries and institutions. Cooperation is a crucial determinant of academic success.ObjectiveThe aim of the present paper is to analyze the evolution of scientific collaboration at the micro level, with regard to the scientific production generated on psoriasis research.Me…

Influence of chitin nanocrystals on the dielectric behaviour and conductivity of chitosan-based bionanocomposites

2018

[EN] A series of bionanocomposite films based on chitosan, reinforced with chitin nanocrystals, were developed, and assessed in terms of dielectric behaviour and conductivity by using an experimental methodology that allows avoiding the conductivity contribution and the exclusion of contact and interfacial polarization effects. The dielectric relaxations at low and high frequency and temperatures were modeled by Havriliak-Negami functions. Below the glass transition temperature (Tg), the gamma and beta relaxations were observed, which were related to intramolecular and non-cooperative segmental movements. At higher temperatures, an intermolecular and cooperative macromolecular movement, rel…

An ab initio potential energy surface for the C2H2-N2 system

2012

International audience; An ab initio potential energy surface determined at the CCSD(T) level of theory is presented for the van der Waals complex C2H2-N2. Additional calculations performed with the HF- and DFT-SAPT methods compare well with the CCSD(T) results and allow a better understanding of the main features of this interaction potential surface. An expansion of this surface over spherical harmonics has also been performed. The global energy minimum of the complex is obtained for the linear conformation. The T conformations are the least attractive. Such characteristics mainly arise because of the variation, in sign and in absolute value of the electrostatic energy between all these c…

Trehalose effects on α-crystallin aggregates

2007

alpha-Crystallin in its native state is a large, heterogeneous, low-molecular weight (LMW) aggregate that under certain conditions may progressively became part of insoluble high-molecular weight (HMW) systems. These systems are supposed to play a relevant role in eye lens opacification and vision impairment. In this paper, we report the effects of trehalose on alpha-crystallin aggregates. The role of trehalose in alpha-crystallin stress tolerance, chaperone activity and thermal stability is studied. The results show that trehalose stabilizes the alpha-crystallin native structure, inhibits alpha-crystallin aggregation, and disaggregates preformed LMW systems not affecting its chaperone acti…

Palladium-Catalyzed Arylation of Linear and Cyclic Polyamines.

2005

Synthetic protocols for the palladium-catalyzed arylation of various linear and cyclic polyamines and polyoxapolyamines has been worked out. Pd(0) and Pd(II) complexes with such phosphine ligands as dppf, BINAP, PPF-OMe, P(tBu) 3 , 2-ditert-butylphosphino- 1,1'-biphenyl have been explored in the catalytic amination reactions. Monoamination of chloro-, bromo-, and iodoarenes with di-, tri-, and tetraamines have been carried out, condi- tions for di- and polyarylation of linear polyamines have been elaborated. Successful aryla- tion of 1,4,7,10-tetraazacyclododecane (cyclene) and 1,4,8,11-tetraazacyclotetradecane (cy- clam) have been conducted. Intramolecular diamination of dihaloarenes such …