Anna Hoser was awarded the SONATA17!

Grant proposal titled

Dynamic Quantum Crystallography for accurate structures, entropy and other thermodynamic properties for molecular crystals

by Anna Hoser

get funding from National Science Centre!


In memory of Professor Robert H. Grubbs

‘We are stronger together than we are alone.’ New publication as a result of long-term and fruitful cooperation between Wozniak’s and Grela’s groups.

Ruthenium Olefin Metathesis Catalysts Bearing a Macrocyclic N-Heterocyclic Carbene Ligand: Improved Stability and Activity

Wioletta Kośnik, Dawid Lichosyt, Marcin Śnieżek, Angelika Janaszkiewicz, Krzysztof Woźniak, Maura Malińska, Bartosz Trzaskowski, Anna Kajetanowicz, Karol Grela

Cover Story

First Experimental Quantitative Charge Density Studies of Vitamin D Intermediate

Vitamins D are a group of fat-soluble secosteroids which play a regulatory role in the functioning of most cells. Rational design of new vitamin D analogs of increased therapeutic potency and lowered calcemic side effects requires high-resolution initial structures and a deep understanding of interactions with the vitamin D receptor. In this paper, using quantum crystallography methods, we present the first determination of the experimental quantitative charge density of an advanced intermediate of vitamin D analogues as well as a reconstruction of the theoretical electron density of final vitamin D analogues. Application of these methods allows for topological and electrostatic interaction energy analysis which is important for understanding biological effects.