Synthesis of functionally diverse and conformationally constrained polycyclic analogues of proline and prolinol

Alkylation of the monoenolate of N-Boc-l-pyroglutamic acid methyl ester with a variety of benzylic halides and their homologues gave the corresponding anti-C-4-alkylated products as major products. Formation of the N-Boc-iminium ion and Friedel-Crafts intramolecular cationic ring closure afforded a series of fused 1-azacyclodihydroindene derivatives with interesting topologies. Functional diversity was introduced via further manipulation of pendant groups on the original proline motif as well as on the aromatic moiety.     

Classical nuclear motion in quantum transport

An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results provide the first example of current-induced molecular desorption as obtained from a full time-dependent approach and suggest the use of ac biases as a way to tailor electromigration. They also show the importance of nonadiabatic effects for ultrafast phenomena in nanodevices.     

Stereodivergent <Emphasis Type="Italic">Baylis-Hillman</Emphasis> Reaction of a Chiral Acryloyl Imide Exploiting Ion-Chelation Effect: Mechanistic Insight on the Rearrangement of Trichloroacetimidates of the <Emphasis Type="Italic">Baylis-Hillman</Emphasis> Adducts to Trichloroacetamides

Summary. In the presence of DABCO, ethyl glyoxalate and (4S,5R)-1,5-dimethyl-3-acryloyl-4-phenylimidazolidin-2-one gave mixtures of the corresponding Baylis-Hillman adducts enriched in either isomer, depending on the absence or the presence of LiClO₄ in the reaction mixture. A diastereomeric mixture in 10:90 dr allowed to definitively establish the mechanism of the reaction leading to trichloroacetamides starting from trichloroacetimidates of the Baylis-Hillman adducts.     

Microlocal properties for pseudodifferential operators of type 1,1

The author studies the action of a new selfadjoint algebra of pseudodifferential operators of type (1,1) on Sobolev wave front sets for distributions.     

Uniruledness of stable base loci of adjoint linear systems via Mori theory

We explain how to deduce from recent results in the Minimal Model Program a general uniruledness theorem for base loci of adjoint divisors. As a special case, we recover previous results by Takayama.     

Aggregation Modes of Chiral Diketopyrrolo[3,4-c]pyrrole Dyes in Solution and Thin Films

The chiroptical features of chiral diketopyrrolo[3,4-c]pyrrole (DPP) derivatives have been only marginally investigated to date. In this regard, we have synthesized ad hoc four chiral DPP dyes, functionalized with enantiopure alkyl groups from natural sources either on the lactam moieties or on the terminal positions of the π-conjugated backbone, to promote an efficient self-assembly into chiral supramolecular structures. For each of them, the aggregation modes has been investigated by absorbance and ECD spectroscopies in conditions of solution aggregation and on thin films, considering the effects of deposition technique (drop casting vs. spin coating) and post-deposition operations (solvent and thermal annealing). The effect of the structure of lateral π-conjugated units attached to the central DPP scaffold, as well as that of the position of the alkyl chiral group, has been assessed. ECD revealed superior capability, compared to absorbance spectroscopy, to provide information on the aggregation modes and to detect the possible co-existence of multiple aggregation pathways.     

Estimation of tire-road contact forces through a model-based approach employing strain measurements

Meccanica - The employment of intelligent tires to test the vehicle performances is ever-increasing in the last years. Many research activities have been made to correlate measurements provided by...     

On the convergence properties of sampling Durrmeyer-type operators in Orlicz spaces

Here, we provide a unifying treatment of the convergence of a general form of sampling-type operators, given by the so-called sampling Durrmeyer-type series. The main result consists of the study of a modular convergence theorem in the general setting of Orlicz spaces $L^{\phi }(\mathbb{R})$. From the latter theorem, the convergence in $L^p(\mathbb{R})$, in $L^{\alpha }{\log }^{\beta }L$, and in the exponential spaces can be obtained as particular cases. For the completeness of the theory, we provide a pointwise and uniform convergence theorem on $\mathbb{R}$, in case of bounded continuous and bounded uniformly continuous functions; in this context, we also furnish a quantitative estimate for the order of approximation, using the modulus of continuity of the function to be approximated. Finally, applications and examples with graphical representations are given for several sampling series with special kernels.