RESUMO
The transition points in hexamethylphosphoramide are theoretically studied for a series of acid-base indicators. Three new indicators with multiple transition points and deeply colored low-nucleophilic anions are designed. A general basicity scale is established for highly basic hexamethylphosphoramide solutions, expanding beyond the basicity of the strongest currently known molecular bases.
RESUMO
Invited for the cover of this issue are Tatiyana Serebryanskaya, Mikhail Kinzhalov and co-workers at St. Petersburg State University, the Research Institute for Physical Chemical Problems, Belarusian State University, Togliatti State University and Blokhin National Medical Research Center of Oncology. The image depicts the shield of Pallas Athena with the structure of a palladium carbene complex that protects against triple-negative breast cancer. Read the full text of the article at 10.1002/chem.202400101.
Assuntos
Antineoplásicos , Proliferação de Células , Complexos de Coordenação , Neoplasias de Mama Triplo Negativas , Neoplasias de Mama Triplo Negativas/tratamento farmacológico , Neoplasias de Mama Triplo Negativas/patologia , Humanos , Complexos de Coordenação/química , Complexos de Coordenação/farmacologia , Antineoplásicos/química , Antineoplásicos/farmacologia , Proliferação de Células/efeitos dos fármacos , Feminino , Linhagem Celular Tumoral , Paládio/química , Metano/análogos & derivados , Metano/química , Metano/farmacologiaRESUMO
Hydrolytically stable PdII and PtII complexes supported by acyclic diaminocarbene ligands represent a novel class of structural organometallic anticancer agents exhibiting nanomolar antiproliferative activity in a panel of cancer cell lines (IC50 0.07-0.81â µM) and up to 300-fold selectivity for cancer cells over normal primary fibroblasts. The lead drug candidate was 300 times more potent than cisplatin inâ vitro and showed higher efficacy in reducing the growth of aggressive MDA-MB-231 xenograft tumors in mice.
Assuntos
Antineoplásicos , Proliferação de Células , Complexos de Coordenação , Neoplasias de Mama Triplo Negativas , Humanos , Animais , Camundongos , Neoplasias de Mama Triplo Negativas/tratamento farmacológico , Neoplasias de Mama Triplo Negativas/patologia , Antineoplásicos/farmacologia , Antineoplásicos/química , Linhagem Celular Tumoral , Proliferação de Células/efeitos dos fármacos , Complexos de Coordenação/química , Complexos de Coordenação/farmacologia , Complexos de Coordenação/síntese química , Feminino , Ensaios Antitumorais Modelo de Xenoenxerto , Ensaios de Seleção de Medicamentos Antitumorais , Cisplatino/farmacologia , Paládio/química , LigantesRESUMO
Brønsted superbases have wide applications in organic chemistry due to their ability to activate C-H bonds. The strongest neutral bases to date are substituted aminophosphazenes developed in the late 1980s by Reinhard Schwesinger. Since then, much effort has been expended to create even stronger neutral bases. In this article, the reasons for the instability of very basic compounds are investigated by means of high-level quantum-chemical calculations. Theoretical basicity limits are suggested for solutions as well as for the gas phase. A record-breaking superbase most likely to be synthesizable and stable at ambient conditions is proposed. Hexamethylphosphoramide is considered a reliable ionizing solvent for superbases.
RESUMO
A superhalogen F@C20 (CN)20 and a corresponding Brønsted superacid were designed and investigated on DFT and DLPNO-CCSD(T) levels of theory. Calculated compounds have outstanding electron affinity and deprotonation energy, respectively. We consider superacid H[F@C20 (CN)20 ] to be able to protonate molecular nitrogen. The stability of these structures is discussed, while some of the previous predictions concerning neutral Brønsted superacids of record strength are doubted. © 2019 Wiley Periodicals, Inc.
