Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αIIbβ3

AbstractA series of novel RGD mimetics containing phthalimidine fragment was designed and synthesized. Their antiaggregative activity determined by Born’s method was shown to be due to inhibition of fibrinogen binding to αIIbβ3. Molecular docking of RGD mimetics to αIIbβ3 receptor showed the key interactions in this complex, and also some correlations have been observed between values of biological activity and docking scores. The single crystal X-ray data were obtained for five mimetics

UNUSUAL PROPERTIES OF WATER

Water has been known for its unusual properties from antiquity when, e.g. was found that hot water freezes faster than cold water. Presently, on the web page 'water' Martin Chaplin [1] lists sixty seven properties of water which may be considered 'anomalous' when comparing to 'normal' chemical substances. Much of this can be attributed to the spatial structure of hydrogen bonding in condensed phases of water. Hydrogen bonding constitutes about 2/3 of cohesion energy of water. However, the remaining 1/3 is definitely not negligible. Combination of the two leads to properties of water in the systems where it plays a role. The very comprehensive range of such systems and common presence of water make the enormous variety of structures and properties of water-containing compounds. In the present paper the non-hydrophilic component of properties of water will be emphasized in combination with the structural aspects of supramolecular bonding of water molecules

Memories of my activities in the field of science

Celem artykułu jest przedstawienie ważniejszych zagadnień związanych z przebiegiem działalności w sferze nauki profesora Janusza Lipkowskiego, fizykochemika, członka rzeczywistego Polskiej Akademii Nauk, prezesa Towarzystwa Naukowego Warszawskiego 2007–2020, a w latach 2003–2006 wiceprezesa PAN. Opracowanie ma charakter autobiograficzny i stanowi fragment pracy, która opublikowana zostanie w 2022 r. w serii Fontes rerum ad historiam scientiae spectantium Instytutu Historii Nauki Polskiej Akademii Nauk.The aim of the article is to present more important issues related to the course of activities in the field of science of Professor Janusz Lipkowski, physicochemist, real member of the Polish Academy of Sciences, president of the Warsaw Scientific Society 2007–2020, and vice-president of the Polish Academy of Sciences in the years 2003–2006. The study is autobiographical in nature and is part of a work that will be published in 2022 in the series Fontes rerum ad historiam scientiae spectantium of the Institute of the History of Science of the Polish Academy of Sciences

Water-fluorine chains in (n-Bu)\u2084NF\ub75.5H\u2082O hydrate

The structure and composition of (n-Bu)4NF?5.5H2O hydrate were determined from single crystal X-ray diffraction data at 173 K. It is monoclinic C2/c with cell parameters a=16.590(3), b=17.040(3), c=16.510(3) \uc5, \u3b2=103.18(3)\ub0. Water molecules and fluorine ions connected by hydrogen bonds form cages consisting of two square faces and four pentagonal faces. These cavities are connected to each other, forming an infinite chain parallel to the c axis of the crystal.NRC publication: Ye

The self-assembly switching of the group 13 tetrahedral Schiff base complexes by changing the character of coordination centre

The reaction of Et 3 B with one equivalent of N-substituted salicylideneimine (HsaldR 0 ) yields the monomeric O,N-chelate complexes Et 2 B(saldR 0 ), where R 0 ¼ Me (1) or Ph (2). The crystal structure of the resulting complexes has been determined by X-ray crystallography. The molecular structure of these complexes consists of monomeric four-coordinate chelates and their primary arrangement in the crystal structure is determined by the C-HÁ Á ÁO aryloxide hydrogen bonds. An extended crystal structure analysis reveals that the adjacent monomeric moieties of 1 are interconnected by C-H imino Á Á ÁO hydrogen bridges resulting in a 1-D motif infinite H-bonded chain, whereas the crystalline complex 2 comprises dimeric molecules linked through a pair of intermolecular C-H arom Á Á ÁO interactions. The supramolecular arrangement of both compounds is discussed with relation to the structure of analogous aluminium and gallium complexes, and the role played by the coordination centre on the molecular assembly is analyzed. It is shown that the steric congestion at the hydrogen bond donor and acceptor sites, as a result of changes in the N-alkyl substituents or the coordination centre environment, affect the strength of the intermolecular C-HÁ Á ÁO hydrogen bonds and may lead to the self-assembly switching of the bidentate Schiff base complexes

N-substituted monodentate alcohols as ligands modifying structure, properties and thermal stability of Mo(IV) complexes

The reaction of N-substituted alcohols (2-aminoethanol, 3-amino-1-propanol and 2-hydroxyethylhydra- zine) with K 3 Na[Mo(CN) 4 O 2 ] 6H 2 O in water–ethanol solution results in isolation of three new complexes of formulae: (PPh 4 ) 2 [Mo(CN) 4 O(amet)] 3H 2 O( 1 ), (amet = 2-aminoethanol), (PPh 4 ) 2 [Mo(CN) 4 O(ampro)] 3H 2 O( 2 ) (ampro = 3-amino-1-propanol) and (PPh 4 ) 2 [Mo(CN) 4 O(ethyd)] 3H 2 O( 3 ) (ethyd = 2-hydroxyethylhydrazine). The isolated salts were characterized by elemental analysis, single crystal X-ray structure measurements, IR and UV–Vis spectroscopy and cyclic voltammetry. The complexes crys- talize in triclinic space group with distorted octahedral geometry of the anion. The obtained salts belongs to a very rare group of complexes with monodentate terminal N-donating alcohols. The thermal stability is described for all complexes and compared with crystal structure parameters