A5042615663- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Analytical Chemistry and Chromatography
- Mass Spectrometry Techniques and Applications
- Urban Development and Cultural Heritage
- Analytical chemistry methods development
- Fluorine in Organic Chemistry
- Materials Engineering and Processing
- Polish Historical and Cultural Studies
- Electromagnetic Fields and Biological Effects
- Structural Engineering and Materials Analysis
- Historical and Cultural Studies of Poland
- Advancements in Materials Engineering
- Crystal structures of chemical compounds
- Human Health and Disease
- Signaling Pathways in Disease
- Radioactive element chemistry and processing
- DNA and Nucleic Acid Chemistry
- Aerosol Filtration and Electrostatic Precipitation
- Polish-Jewish Holocaust Memory Studies
- Organophosphorus compounds synthesis
- Molecular Spectroscopy and Structure
- Photochemistry and Electron Transfer Studies
- Central European Literary Studies
Medical University of Lodz
2010-2024
Adam Mickiewicz University in Poznań
2014-2024
Cracow University of Technology
2022
Faculty (United Kingdom)
2019
BioInfoBank Institute
2016-2018
Rutgers, The State University of New Jersey
2013-2015
Poznan University of Medical Sciences
2012
Warsaw University of Technology
2011
Odlewnie Polskie (Poland)
2006
Stacks of acids: Pentafluorobenzoic acid forms heterodimers with benzoic and 2,4,6-trimethylbenzoic that assemble into π stacks alternating phenyl pentafluorophenyl residues (see picture). Cocrystals these acids 1,4-bisarylbutadiynes contain homodimers sandwiched between the diacetylene molecules.
Earlier studies have revealed that wood treated with caffeine was effectively protected against decay fungi and molds. However, there is a need to establish how the molecule behaves after impregnation it can protect wood. The objective of research characterize interaction between Scots pine (Pinus sylvestris L.) as well assess stability alkaloid in lignocellulosic material. For this purpose, an elementary analyzer used nitrogen concentration results showed easily removed from structure...
Wstęp: Epidemia COVID-19 przyczyniła się do zasadniczej zmiany stylu życia oraz sposobu nauki i pracy, co potencjalnie może prowadzić poważnych konsekwencji zdrowotnych, zwłaszcza w kontekście dolegliwości mięśniowo-
Gestapelte Säuren: Pentafluorbenzoesäure bildet Heterodimere mit Benzoesäure und 2,4,6-Trimethylbenzoesäure, die sich zu π-Stapeln alternierenden Phenyl- Pentafluorphenylresten organisieren (siehe Bild). Mischkristalle dieser Säuren 1,4-Bisarylbutadiin-Derivaten enthalten Säure-Homodimere, zwischen den Diacetylenmolekülen sandwichartig eingelagert sind.
Background: Predicting the popularity of and harm caused by psychoactive agents is a serious problem that would be difficult to do single simple method. However, because growing number drugs it very important provide fast tool for predicting some characteristics these substances. We were inspired Google Flu Trends study on activity influenza virus, which showed virus worldwide can monitored based queries entered into search engine. Objective: Our aim was propose method ranking most popular...
A series of new di- and polyamine-caffeine analogues were synthesised characterised by NMR, FT-IR, MS spectroscopic methods. To access the stability investigated caffeine analogues, molecular dynamic simulations performed in NAMD 2.9 assuming CHARMM36 force field. evaluate antioxidant capacity compounds, three different assays used, namely 1,1-diphenyl-2-picryl-hydrazyl free radical (DPPH•) scavenging activity, ferrous ions (Fe2+) chelating Fe3+→Fe2+reducing ability. In vitro, ability...
In beta-phenazine, C(12)H(9)N(2), the molecules show a sandwich herring-bone type of packing. The experimental crystal structure shows very good agreement with that predicted earlier from systematic searches potential packing arrangements for known unit cell [Hammond, Roberts, Smith & Docherty (1999). J. Phys. Chem. B, 103, 7762-7770].
The aim of the study was to assess influence that shape low frequency magnetic field may have on catalase and superoxide dismutase activity, malondialdehyde concentration free radicals generation in human blood platelets.The suspension platelets exposed for 15 min 50 Hz different shape, flux density 10 mT.The determinations radicals, showed increased values compared with initial level, regardless applied. In contrast, activity lower than at onset experiment.The findings indicate oxidative...
In this paper we would present our studies how organic peroxides are being stabilized by plasticizers used in manufacturing of as polymerization initiators etc. As an exemplary system, interactions between 2,2-dihydroperoxybutane and dimethyl phthalate (system already approved for commercial use) has been studied. The quantum chemical study protocol was to investigate the first time a plasticizer peroxide – indicating that interaction energy about -15 kcal/mol favors formation supramolecular system.
Gas-phase decompositions of magnesium complexes with adenosine-5′-triphosphate (ATP) and adenosine-5′-diphosphate (ADP) were studied by using electrospray ionization-collision-induced dissociation-tandem mass spectrometry, in the negative ion mode. The loss internal ribose residue was observed found to occur directly from [ADP-3H+Mg]− ion. occurrence this process indicates presence a strong phosphate-Mg-adenine interaction. performed quantum mechanics calculations confirmed interaction ion,...
Small π-conjugated molecules can be designed and synthesized to undergo controlled self-assembly forming low-dimensional architectures, with programmed order at the supramolecular level. Such is of paramount importance because it defines property obtained material. Here, we have focused our attention four pyromellitic diimide derivatives exposing different types side chains. The joint effect noncovalent interactions including π–π stacking, H-bonding, van der Waals forces on yielded...
The crystal structure of the title compound, benzamide–2,3,4,5,6-pentafluorobenzoic acid (2/1), 2C7H7NO·C7HF5O2, consists centrosymmetric hexameric supermolecules composed four amide and two carboxylic molecules connected via O—H⋯O N—H⋯O hydrogen bonds. No phenyl–perfluorophenyl π–π stacking interactions are observed in this cocrystal.
Colchicine is a tropolone alkaloid from Colchicinum autumnale. It shows antifibrotic, antimitotic, and anti-inflammatory activities, used to treat gout Mediterranean fever. In this work, complexes of colchicine with zinc(II) nitrate were synthesized investigated using DFT, 1H 13C NMR, FT IR, ESI MS. The counterpoise-corrected uncorrected interaction energies these calculated. We also calculated their 1H, IR spectra compared them the corresponding experimentally obtained data. According MS...
Colchicine is an alkaloid characterised by good water solubility.After administration of colchicine as a medicine for example the treatment gout, probably forms some more or less stable structures with cations and/or anions present in human body fluid.The complexes Na + , K Mg 2+ and Ca sulphates carbonates have been synthesized studied ESI MS, MALDI 1 H 13 C NMR, FT IR DFT calculations also tested against fungicidal activity.Salts solubility chosen, like 2 SO 4 CO 3 MgSO CaSO .It has shown...
Abstract As a consequence of increased axle loads and speeds trains on modernised railway lines, there may occur problems with bearing capacity stability the subgrade in some sections network. This is situation we are dealing right now Polish State Railways Therefore, as case study, fragment an existing embankment based weak foundation was chosen for analysis train–track–subgrade interaction. A two-stage model has been developed. The consists upper part (train–track) lower...
Noncovalent interactions have been studied with the use of experimental (potentiometric and spectroscopic measurements) computational (Molecular Modeling DFT) studies in a lysine, 1,3-diaminopropane adenosine-5′-triphosphate system.
Herein, we present the application of fluorinated carbohydrate-derived building blocks for α-hydroxy β-fluoro/β-trifluoromethyl and unsaturated phosphonates synthesis. Pudovik Horner-Wadsworth-Emmons reactions were applied to achieve this goal. The proposed pathway key is supported by experimental results, as well quantum chemical calculations. structure products was established spectroscopic (1D, 2D NMR) spectrometric (MS) techniques. Based on our data received, claim that progress HWE...
The mode of coordination copper(II) ions with dopamine (DA, L) in the binary, as well ternary systems Ado, AMP, ADP, and ATP (L′) second ligands, was studied use experimental—potentiometric spectroscopic (VIS, EPR, NMR, IR)—methods computational—molecular modeling DFT—studies. In Cu(II)/DA system, depending on pH value, active centers ligand involved changed from nitrogen oxygen atoms (CuH(DA)3+, Cu(DA)2+), via (CuH2(DA)24+), to at strongly alkaline (Cu(DA)22+). introduction L′ into this...