Iryna Andrusenko

Istituto Italiano di Tecnologia | IIT · Center for Materials Interfaces

The true molecular conformation and the crystal structure of benzo[ e ]dinaphtho[2,3- a ;1′,2′,3′,4′- ghi ]fluoranthene, 7,14-diphenylnaphtho[1,2,3,4- cde ]bisanthene and 7,16-diphenylnaphtho[1,2,3,4- cde ]helianthrene were determined ab initio by 3D electron diffraction. All three molecules are remarkable polycyclic aromatic hydrocarbons. The mole...

The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining the polyaromatic hydrocarbon triphenylene with 7,7,8,8-tetracyanoquinodimethane TCNQ and its fluorinated derivatives, are reported together with their...

Nanomedicine is among the most fascinating areas of research. Most of the newly discovered pharmaceutical polymorphs, as well as many new synthesized or isolated natural products, appear only in form of nanocrystals. The development of techniques that allow investigating the atomic structure of nanocrystalline materials is therefore one of the most...

Thin film layer-by-layer room-temperature synthesis of targeted DUT-8 MOFs from 2,6-ndc and dabco ligands give different crystalline framework growths depending on the metal cation used: Cu(2,6-ndc) and Zn(2,6-ndc)(H 2 O).

Layered titanates are important intermediates during the formation of TiO 2-related nanostructures in hot concentrated base solution. Microwave-assisted hydrothermal techniques allow a time-resolved ex-situ analysis of the reaction in one-minute intervals by rapid heating and quenching followed by separation and structure analysis of the intermedia...

A hitherto unknown phase of sodium titanate, NaTi 3 O 6 (OH)Á2H 2 O, was identified as the intermediate species in the synthesis of TiO 2 nanorods. This new phase, prepared as nanorods, was investigated by electron diffraction, X-ray powder diffraction, thermogravimetric analysis and high-resolution transmission electron microscopy. The structure w...

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The structure solution of the δ-polymorph of indomethacin was obtained using three-dimensional electron diffraction. This form shows a significantly enhanced dissolution rate compared with the more common and better studied α- and γ-polymorphs, indicating better biopharmaceutical properties for medicinal applications. The structure was solved in no...

Herein we demonstrate the prowess of the 3D electron diffraction approach by unveiling the structure of terrylene, the third member in the series of peri‐condensed naphthalene analogues, which has eluded structure determination for 65 years. The structure was determined by direct methods using electron diffraction data and corroborated by dispersio...

div> The structure solution of the δ-polymorph of indomethacin was obtained using three-dimensional electron diffraction. This form shows a significantly enhanced dissolution rate compared with the more common and better studied α- and γ-polymorphs, indicating an increased bioavailability for medicinal applications. The structure was solved in non...

The crystal structure of linagliptin hemihydrate hemiethanolate was solved by direct methods and refined by least-squares on the basis of 3D electron diffraction data. Linagliptin is one of the largest organic structures solved ab initio by electron diffraction. The good quality of the data allows the recognition of subtle symmetry reductions and o...

A previously unknown cocrystal of olanzapine and phenol was identified from a volatile deep eutectic solvent as the intermediate species in the crystallization of olanzapine. This new nanocrystalline phase was investigated by electron diffraction, powder X-ray diffraction and differential scanning calorimetry. The structure was determined by simula...

Metastable polymorphs typically display higher solubility than their thermodynamically stable counterparts, whilst having dissimilar mechanical and biopharmaceutical properties. It is unsurprising then, that generic and innovator companies alike pursue isolation and characterisation of these materials. Here we report the determination of the crysta...

The meta- and para- nitro isomers of (E)-3’-dimethylamino-nitrochalcone (Gm8m and Gm8p) are shown to exhibit concomitant color polymorphism, with Gm8m appearing as yellow (P21/c) or orange (P-1) crystals and Gm8p appearing as red (P21/n) or black (P21/c) crystals. Each of the polymorphs were characterized optically via UV-Vis spectroscopy and their...

The pharmaceutical metaxalone (MTX) was obtained as a conglomerate Form A-R/S, via a newly reported crystallization method exploiting volatile deep eutectic solvents. Homochiral crystals of Form A-S, could previously be obtained only by crystallization from enantiopure MTX, synthesized from enantiopure starting materials, and never from a racemic s...

The crystallisation propensity of the newly synthesised molecule persulfurated coronene has been investigated through a number of experimental methods. Electrostatic potential calculations and multi-molecular optimisations show that face-face interactions are...

Orthocetamol is a regioisomer of the well‐known pain medication paracetamol and a promising analgesic and an anti‐arthritic medicament itself. However, orthocetamol cannot be grown as single crystals suitable for X‐ray diffraction, so its crystal structure has remained a mystery for more than a century. We report here the ab‐initio structure determ...

Orthocetamol is a regioisomer of the well‐known pain medication paracetamol and a promising analgesic and an anti‐arthritic medicament itself. However, orthocetamol cannot be grown as single crystals suitable for X‐ray diffraction, so its crystal structure has remained a mystery for more than a century. We report here the ab‐initio structure determ...

Recent advances in our understanding of CaCO 3 nucleation from solution have provoked new and challenging questions. We have studied CaCO 3 formation using precipitation by carbonate ester hydrolysis which ensures precipitation from a strictly homogeneous solution state and allows "titrating" carbonate to a solution with a given Ca 2 + concentratio...

The M2O-Al2O3-WO3 (M = alkaline metals) system has attracted the attention of the scientific community because some of its members showed potential applications as single crystalline media for tunable solid-state lasers. These materials behave as promising laser host materials due to their high and continuous transparency in the wide range of the n...

The M 2 O-Al 2 O 3-WO 3 (M = alkaline metals) system has attracted the attention of the scientific community because some of its members showed potential applications as single crystalline media for tunable solid-state lasers. These materials behave as promising laser host materials due to their high and continuous transparency in the wide range of...

Layered titanates are important intermediates during the formation of TiO2-related nanostructures in hot concentrated base solution. Microwave-assisted hydrothermal techniques allow a time-resolved ex-situ analysis of the reaction in one-minute intervals by rapid heating and quenching followed by separation and structure analysis of the intermediat...

Drug products containing iron oxide and hydroxide nanoparticles (INPs) are important for the treatment of iron deficiency anaemia. Pharmaceuticals prepared by the complexation of different kinds of INPs and carbohydrates have different physicochemical and biopharmaceutic characteristics. The increasing number of parenteral non-biological complex dr...

"This is a mineral about which there has been much discussion" is a typical statement about vaterite in older standard textbooks of inorganic chemistry. This polymorph of CaCO(3) was first mentioned by H. Vater in 1897, plays key roles in weathering and biomineralization processes, but occurs only in the form of nanosized crystals, unsuitable for s...

„Das Mineral Vaterit ist Gegenstand umfangreicher Diskussionen“ ist eine typische Aussage, wie man sie in Lehrbüchern zur anorganischen Chemie findet. Das Polymorph des Calciumcarbonats hat eine Schlüsselrolle in Verwitterungs- und Biomineralisationsprozessen, liegt jedoch stets in für die Strukturaufklärung nicht geeigneten verwachsenen Nanokrista...

Reaction of copper(II) acetate with azobenzene-4,4'-dicarboxylic acid results in the formation of a metal organic framework with the unexpected stoichiometry of Cu(II):ligand of 2:1. The bulk synthesis results in microspheres assembled from either nanobticks or nanoflakes, depending on the ratio of the reactants in solution. While the former behave...

of a paper presented at Microscopy and Microanalysis 2011 in Nashville, Tennessee, USA, August 7–August 11, 2011.

A hitherto unknown phase of sodium titanate, NaTi(3)O(6)(OH)·2H(2)O, was identified as the intermediate species in the synthesis of TiO(2) nanorods. This new phase, prepared as nanorods, was investigated by electron diffraction, X-ray powder diffraction, thermogravimetric analysis and high-resolution transmission electron microscopy. The structure...

We have prepared 2D arrays of nanodots embedded in an insulating matrix by means of focused-electron-beam-induced deposition using the W(CO)(6) precursor. By varying the deposition parameters, i.e. the electron beam current and energy and the raster constant, we obtain an artificial granular material with tunable electrical properties. The analysis...

Structural characterization of nano particles is often problematic for X-ray powder diffraction due to peak broadening. The impact of this effect increases with cell dimensions. In addition, nano materials appear often as phase mixtures. In these cases transmission electron microscopy (TEM), providing imaging and diffraction information from the sa...