FROM THE LAB
Last week, members of the Institute of Advanced Materials and friends of the Professor and the Institute celebrated the long and successful scientific career of Professor Andrzej Miniewicz, who has decided to…
Read article : We have a new Wroclaw’s Dwarf – in honour of Professor Andrzej Miniewicz !!A Nature Communications study co-authored by Błażej Dziuk reports an oxidant-free gold-catalysed route to benzocyclobutenes.
Read article : Ligand design enables oxidant-free gold catalysisKrzysztof A. Konieczny co-authored a JACS study on crystal design that preserves diffraction during electron-beam-induced chemical transformations.
Read article : Turning electron-beam damage into a controlled crystal reactionA JACS study co-authored by Jan K. Zaręba identifies a reversible anion-relay mechanism for polarization switching in a copper-based metal–organic framework.
Read article : How nitrate ions switch polarization in a metal–organic frameworkMarta Dudek and Marco Deiana co-authored an Angewandte Chemie study on a photoswitchable ligand that regulates DNA G-quadruplexes in living cells.
Read article : Controlling DNA G-quadruplexes with visible lightChalcogen bonding interactions have attracted significant attention in a broad chemistry community, with a particular focus on their ability to stabilise the key transition states in various organic synthetic routes. In this…
Read article : Chalcogen bonds enable efficient photoreduction of sulfur-containing heterocyclesThe activation of rhodopsin, the light-sensitive G-protein-coupled receptor responsible for dim-light vision in vertebrates, is driven by an ultrafast excited-state double-bond isomerization with a quantum efficiency of almost 70%. The origin of…
Read article : Quantum–classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiencyThe influence of pressure on the course of [4+4] photodimerization in crystals of 9-methylanthracene is presented. The studies were performed at 0.1 and 0.4 GPa. As a result of the reaction at high…
Read article : The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthraceneChiral plasmonic gold nanoparticles assemblies are known for their strong circular dichroism. However, little is known about the creation of helical assemblies from atomically precise nanoparticles like gold nanoclusters (AuNCs) and the…
Read article : Circularly Polarized Luminescence from Atomically Precise Gold Nanoclusters Helically Assembled by Liquid-Crystal TemplateResearch is underway to find organic dyes with high photoluminescence quantum yield (QY) and having compatibility with liquid crystals (LCs) that would be suitable for application in LC systems such as light…
Read article : Novel highly luminescent diketofurofuran dye in liquid crystal matrices for thermal sensors and light amplificationNews about next seminar in 2023 will be announced soon !
Read article : Up-coming seminarIn our recent paper that hit the cover of Journal of Computational Chemistry, a general method for effective one‐electron potentials (EOPs) based elimination of electron repulsion integrals is presented, that is tuned…
Read article : Ab initio effective one‐electron potential operators for elimination of electron repulsion integralsZapraszam do wysłuchania podkastu audycji Dr. Łukasza Badowskiego “Z innej planety”, w której rozmawialiśmy o wnioskach płynących z artykułu na temat wspólnego pochodzenia RNA i DNA, który ukazał się niedawno w Nature…
Read article : RNA czy DNA – czy to właściwe pytanie?I invite you to listen to the podcast of RDC radio broadcast “From another planet” hosted by Dr. Łukasz Badowski, in which we talked about the conclusions of our article on the…
Read article : RNA or DNA – is that really the right question?Ciemne stany nπ* odgrywają znaczącą rolę w destrukcyjnej fotochemii pirymidynowych zasad kwasów nukleinowych. Na podstawie obliczeń kwantowo-chemicznych wykazujemy, że charakterystyczny schemat wiązania wodorowego pary zasad guanina-cytozyna może ułatwić tworzenie w stanie wzbudzonym…
Read article : Transfer wodoru indukowany promieniowaniem UV w parach zasad DNA na powierzchni ciemnych stanów nπ*Dark nπ* states were shown to have substantial contribution to the destructive photochemistry of pyrimidine nucleobases. Based on quantum-chemical calculations, we demonstrate that the characteristic hydrogen bonding pattern of the GC base…
Read article : UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* statesWe describe a long-sought route through ribose aminooxazoline to the pyrimidine β-ribonucleosides and their phosphate derivatives that involves an extraordinarily efficient photoanomerization of α-2-thioribocytidine. In addition to the canonical nucleosides, our synthesis…
Read article : A prebiotically plausible synthesis of pyrimidine β-ribonucleosides involving photoanomerizationWe propose a new approach for estimating the electrostatic part of the excitation energy transfer (EET) coupling between electronically excited chromophores based on the transition density-derived cumulative atomic multipole moments (TrCAMM). Our…
Read article : Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer CouplingsZaleśny, R.; Garcia-Borràs, M.; Góra, R. W.; Medved’, M.; Luis, J. M. Phys. Chem. Chem. Phys. 2016, 18 (32), 22467–22477 DOI: 10.1039/C6CP02500E This paper presents the results of a pioneering exploration of…
Read article : On the physical origins of interaction-induced vibrational (hyper)polarizabilitiesSzabla, R.; Góra, R. W.; Janicki, M.; Sponer, J. Faraday Discuss. 2016 DOI: 10.1039/C6FD00131A Non-adiabatic molecular dynamics simulations and potential energy surface calculations of the photoexcited imidazole–(H2O)5 cluster using the ADC(2) Hamiltonian…
Read article : Photorelaxation of imidazole and adenine via electron-driven proton transfer along H2O wiresSzabla, R.; Šponer, J. E.; Šponer, J.; Sobolewski, A. L.; Góra, R. W. Phys. Chem. Chem. Phys. 2014, 16 (33), 17617–17626 DOI: 10.1039/C4CP02074J Ab initio studies elucidate the molecular mechanisms underlying photostability…
Read article : Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines
