A theoretical analysis of bacteriochlorophyll a containing its non-native divalent metal ions: Co, Ni, Cu, Zn, Ru, Rh, Pd, and Pt, has been carried out by means of density functional theory (DFT) calculations. The main stress was put on the derivatives with metals, which already found applications as coordination compounds in anti-tumor therapy (Ru, Pt, Pd, and Rh). The idea was to combine thei...

DNA-templated organic synthesis enables the translation of DNA sequences into synthetic small-molecule libraries suitable for in vitro selection. Previously, we described the DNA-templated multistep synthesis of a 13,824-membered small-molecule macrocycle library. Here, we report the discovery of small molecules that modulate the activity of kinase enzymes through the in vitro selection of this...

Interfacial materials in perovskite solar cells (PSCs) between the absorber layer and charge selective layers are stimulants to boost performance stability. Incorporation of a low-temperature processed passivating agent at electron layer/perovskite interface can enhance PSCs; however, SnO2/(FAPbI3)0.85(MAPbBr3)0.15 suffers from surface phenomena that retard overall PSCs. By adopting synergistic...

Charge transfer and fragmentation in collisions of sodium cluster ions with caesium atoms have been investigated theoretically within a microscopic framework called Non-adiabatic Quantum Molecular Dynamics. To illustrate the complexity of non-adiabatic cluster collisions, in particular the interplay between charge transfer and fragmentation, Na4 (2.7 keV) + Cs collisions are studied in detail w...

Squeezing of quantum fluctuations by means of entanglement is a well recognized goal in the field of quantum information science and precision measurements. In particular, squeezing the fluctuations via entanglement between two-level atoms can improve the precision of atom clocks and of spectroscopy in general [1, 2]. Here, we demonstrate 3.4 dB of metrologically relevant squeezing and entangle...

A concise two step synthesis of tetrazole containing macrocycles from readily accessible starting materials is presented. The first step comprises a chemoselective amidation of amino acid derived isocyanocarboxylicacid esters with unprotected symmetrical diamines to afford diverse α-isocyano-ω-amines. In the second step, the α-isocyano-ω-amines undergo an Ugi tetrazole reaction to close the mac...