BACKGROUND Boron neutron capture therapy (BNCT) is based on the nuclear reaction that occurs when boron-10 is irradiated with low-energy thermal neutrons to yield high linear energy transfer alpha particles and recoiling lithium-7 nuclei. Clinical interest in BNCT has focused primarily on the treatment of high-grade gliomas and either cutaneous primaries or cerebral metastases of melanoma, most...

Complexation of a boron atom with two of benzothiazole-enolate-based bidentate ligands successfully gave rise to the corresponding BF2-/BPh2-chelated complexes (), which could be considered as novel AIE-active organoboron luminophores. These new luminophores exhibited aggregation-induced emission, and a large Stokes shift in solution. In the solid-state, compounds exhibited intense emission wit...

Abstract Boron neutron capture therapy (BNCT) is a potential radiation modality for cancer, and tumor-targeted stable boron-10 ( 10 B) delivery agents are an important component of BNCT. Currently, two low-molecular-weight boron-containing compounds, sodium mercaptoundecahydro- closo -dodecaborate (BSH) boronophenylalanine (BPA), mainly used in Although both have suboptimal tumor selectivity, t...

Carbon–carbon bond forming reactions have been at the centre of organic synthesis for decades allowing efficient and quick assembly of complex molecular structures. Among many others, organoboron compounds are oen the reagents of choice as they promote C–C bond formation reactions with high chemoand stereoselectivity without the need for expensive, sometimes unstable and toxic transition metal...

The excited-state energies of aza-boron-dipyrromethene (Aza-BODIPY) derivatives are investigated with Time-Dependent Density Functional Theory (TD-DFT), with twin goals. On the one hand, a pragmatic, yet efficient, computational protocol is defined in order to reach rapidly semi-quantitative estimates of the λ(max) of these challenging dyes. It turned out that a PCM-TD-BMK/6-311+G(2d,p)//PCM-PB...

Entecavir (BMS-200475) was synthesized from 4-trimethylsilyl-3-butyn-2-one and acrolein. The key features of its preparation are: (i) a stereoselective boron-aldol reaction to afford the acyclic carbon skeleton of the methylenecylopentane moiety; (ii) its cyclization by a Cp2TiCl-catalyzed intramolecular radical addition of an epoxide to an alkyne; and (iii) the coupling with a purine derivativ...

Using Time-Dependent Density Functional Theory (TD-DFT), we investigate the excited-state properties of a series of emissive dyes combining the properties of coumarins and fluoroborate compounds. These boron-iminocoumarins (borico) compounds have been synthesized very recently by Frath and coworkers [Chem. Commun., 49 (2013) 4908]. We determine both their vertical and 0-0 energies, reproduce an...