A method for the generation of unprecedented vinyl carbenoids from sulfoxonium ylides has been developed and applied in the synthesis of a diverse array of heterocycles such as indolizines, pyrroles, 3‐pyrrolin‐2‐ones, and furans. The reactions proceed by FeBr₂ catalysis under mild reaction conditions with a broad substrate scope. A reaction pathway involving iron carbenoids is proposed ...

DFT methods were used to evaluate the type of Jahn-Teller distortion in the low spin d⁷ bis(terpyridine)nickel (III) doublet. The strain of the tridentate terpyridine ligand in bis(terpyridine)nickel(III) leads to longer Ni(III)-N terminal bond lengths than the Ni(III)-N central bonds. In addition, in all DFT optimized bis(terpyridine)nickel (III) molecules, the one set of Ni(III)-N ...

One strategy to combat antimicrobial resistance is the discovery of new classes of antibiotics. Most antibiotics will at some point interact with the bacterial membrane to either interfere with its integrity or to cross it. Reliable and efficient tools for determining the dissociation constant for membrane binding (K_<i>D</i>) and the partitioning coefficient between the aqueous- and ...

Abstract Afordable housing with fair and transparent land-allocation measures is a challenge for many countries. The Sultanate of Oman solves this issue by means of land-allocation lotteries in which male and female citizens can participate in order to win a parcel of a new housing area. Besides supporting those in fnancial need the lottery aims to mix the separate tribes of Oman and thus contribute ...

The insertion of carbon dioxide into metal element σ-bonds is an important elementary step in many catalytic reactions for carbon dioxide valorization. Here, the insertion of carbon dioxide into a family of group 10 alkyl complexes of the type (^RPBP)M(CH₃) (^RPBP = B(NCH₂PR₂)₂C₆H₄⁻; R = Cy or ^tBu; ...

Oligopyrroles form a versatile class of redox-active ligands and electron reservoirs. Although the stabilization of radicals within oligopyrrolic π systems is more common for macrocyclic ligands, bidentate dipyrrindiones are emerging as compact platforms for one-electron redox chemistry in transition-metal complexes. We report the synthesis of a bis(aqua) palladium(II) dipyrrindione complex and its ...

We present a parallel and linear scaling implementation of the calculation of the electrostatic potential arising from an arbitrary charge distribution. Our approach is making use of the multi-resolution basis of multiwavelets. The potential is obtained as the direct solution of the Poisson equation in its Green’s function integral form. In the multiwavelet basis, the formally non local ...

Development of safe, renewable, cheap and versatile solvents is a longstanding challenge in chemistry. We show here that vegetable oils and related systems can become prominent solvents for organic synthesis. Suzuki–Miyaura, Hiyama, Stille, Sonogashira and Heck cross-couplings proceed with quantitative yields in a range of vegetable oils, fish oil, butter and waxes used as solvents. Appropriate ...

first_pagesettingsOrder Article Reprints Open AccessArticle Liposome Formulations for the Strategic Delivery of PARP1 Inhibitors: Development and Optimization by Carlota J. F. Conceição 1,2ORCID,Elin Moe 3,4,Paulo A. Ribeiro 2ORCID andMaria Raposo 2,*ORCID 1 CEFITEC, Department of Physics, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal 2 Laboratory ...