Pseudopolymorphs-a variety of self-organization of: Para -sulphonato-calix[8]arene and phenanthroline in the solid state

© 2016 The Royal Society of Chemistry.The paper presents results concerning construction of inclusion complexes of para-sulphonato-calix[8]arene with 1,10-phenanthroline. Structures of crystalline host-guest complexes were determined by means of X-ray diffraction. Intermolecular interactions were analyzed and the organization of ions and molecules in the crystal lattice was described

Metal-Dependent Cytotoxic and Kinesin Spindle Protein Inhibitory Activity of Ru, Os, Rh, and Ir Half-Sandwich Complexes of Ispinesib-Derived Ligands

Ispinesib is a potent inhibitor of kinesin spindle protein (KSP), which has been identified as a promising target for antimitotic anticancer drugs. Herein, we report the synthesis of half-sandwich complexes of Ru, Os, Rh, and Ir bearing the ispinesib-derived N,N-bidentate ligands (R)- and (S)-2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4(3H)-one and studies on their chemical and biological properties. Using the enantiomerically pure (R)- and (S)-forms of the ligand, depending on the organometallic moiety, either the SM,R or RM,S diastereomers, respectively, were observed in the molecular structures of the Ru- and Os(cym) (cym = η6-p-cymene) compounds, whereas the RM,R or SM,S diastereomers were found for the Rh- and Ir(Cp*) (Cp* = η5-pentamethylcyclopentadienyl) derivatives. However, density functional theory (DFT) calculations suggest that the energy difference between the diastereomers is very small, and therefore a mixture of both will be present in solution. The organometallics exhibited varying antiproliferative activity in a series of human cancer cell lines, with the complexes featuring the (R)-enantiomer of the ligand being more potent than the (S)-configured counterparts. Notably, the Rh and Ir complexes demonstrated high KSP inhibitory activity, even at 1 nM concentration, which was independent of the chirality of the ligand, whereas the Ru and especially the Os derivatives were much less active

rnaSeqMap: a Bioconductor package for RNA sequencing data exploration

BACKGROUND: The throughput of commercially available sequencers has recently significantly increased. It has reached the point where measuring the RNA expression by the depth of coverage has become feasible even for largest genomes. The development of software tools is constantly following the progress of biological hardware. In particular, as RNA sequencing software can be regarded genome browsers, exon junction tools and statistical tools operating on counts of reads in predefined regions. The library rnaSeqMap, freely available via Bioconductor, is an RNA sequencing software which is independent of any biological hardware platform. It is based upon standard Bioconductor infrastructure for sequencing data and includes several novel features focused on deeper understanding of coverage expression profiles and discovery of novel transcription regions. RESULTS: rnaSeqMap is a toolbox for analyses that may be performed with the use of gene annotations or alternatively, in an unsupervised mode, on any genomic region to find novel or non-standard transcripts. The data back-end may be a MySQL database or a set of files in standard BAM format. The processing in R can be run on a machine without any particular hardware requirements, and scales linearly with the number of genomic loci and number of samples analyzed. The main features of rnaSeqMap include coverage operations, discovering irreducible regions of high expression, significance search and splicing analyses with nucleotide granularity. CONCLUSIONS: This software may be used for a range of applications related to RNA sequencing by building customized analysis pipelines. The applicability and precision is expected to increase in parallel with the progress of the genome coverage in sequencers

Zawartość i skład frakcyjny niklu w glebach uprawnych zależnie od ich właściwości fizykochemicznych

The aim of this study was estimation of pseudo-total nickel content and its fractional composition in arable soils depending on their physicochemical properties.The research material consisted of samples taken from arable soil in 81 points of Podlasie Province. The content of pseudo-total nickel in soils and its fractional composition was determined with BCR method. The correlations between pseudo-total content of nickel, as well as its individual fractions and physicochemical properties of soils were evaluated. It was found, that pseudo-total content of nickel was typical for uncontaminated soils and ranged from 2.0 to 14.4 mg kg–1. The share of acid soluble and exchangeable fraction was above 20 %, as compared to pseudo-total content. Reducible fraction comprised 20–40 %. The most of nickel was bound to organic matter. The factors which influenced fractional composition of nickel were determined. For the light soils it was content of soil fraction –1. Udział frakcji wymiennej w ogólnej zawartości niklu w badanych glebach wynosił ponad 20 %. Frakcja redukowalna stanowiła 20–40 % zawartości ogólnej. Najwięcej niklu było związane z substancją organiczną. Wyodrębniono czynniki wpływające na udział niklu w poszczególnych frakcjach. Dla gleb lekkich był to skład granulometryczny, zawartość frakcji spławialnej i pH, a w przypadku gleb średnich zawartość węgla organicznego, skład granulometryczny, zawartość frakcji spławialnej i zawartość magnezu. Nie wyznaczono czynników warunkujących zawartość niklu w II i IV frakcji gleb lekkich, a w przypadku gleb średnich zawartość tego metalu we frakcji I

Tuning Solid-State Calix[n]arene Supramolecular Assemblies Using Phenanthroline as the Guest Molecule

© 2019 American Chemical Society. Of the available ligands for the study of molecular recognition by para-sulfonato-calix[n]arene receptors, phenanthroline is proving to a far more versatile moiety than it would have initially been expected. Interactions with two anionic host molecules, para-sulfonato-calix[4]arene and para-sulfonato-calix[8]arene, have been previously examined in depth and described. In this paper, further structural studies concerning supramolecular self-assembly species of unsubstituted calix[6]arene, para-sulfonato-calix[6]arene, para-sulfonato-calix[4]arene, and 25,27-O-di(carboxymethoxy)-calix[4]arene with phenanthroline are reported. Structures of crystalline host-guest complexes were determined by means of X-ray diffraction. Diversity of the chemical makeup of the structures is observed: four structures are cocrystals and the other four are organic salts. In the packing motifs columnar systems are the commonest among those observed

Tuning Solid-State Calix[n]arene Supramolecular Assemblies Using Phenanthroline as the Guest Molecule

© 2019 American Chemical Society. Of the available ligands for the study of molecular recognition by para-sulfonato-calix[n]arene receptors, phenanthroline is proving to a far more versatile moiety than it would have initially been expected. Interactions with two anionic host molecules, para-sulfonato-calix[4]arene and para-sulfonato-calix[8]arene, have been previously examined in depth and described. In this paper, further structural studies concerning supramolecular self-assembly species of unsubstituted calix[6]arene, para-sulfonato-calix[6]arene, para-sulfonato-calix[4]arene, and 25,27-O-di(carboxymethoxy)-calix[4]arene with phenanthroline are reported. Structures of crystalline host-guest complexes were determined by means of X-ray diffraction. Diversity of the chemical makeup of the structures is observed: four structures are cocrystals and the other four are organic salts. In the packing motifs columnar systems are the commonest among those observed

Tuning Solid-State Calix[n]arene Supramolecular Assemblies Using Phenanthroline as the Guest Molecule

© 2019 American Chemical Society. Of the available ligands for the study of molecular recognition by para-sulfonato-calix[n]arene receptors, phenanthroline is proving to a far more versatile moiety than it would have initially been expected. Interactions with two anionic host molecules, para-sulfonato-calix[4]arene and para-sulfonato-calix[8]arene, have been previously examined in depth and described. In this paper, further structural studies concerning supramolecular self-assembly species of unsubstituted calix[6]arene, para-sulfonato-calix[6]arene, para-sulfonato-calix[4]arene, and 25,27-O-di(carboxymethoxy)-calix[4]arene with phenanthroline are reported. Structures of crystalline host-guest complexes were determined by means of X-ray diffraction. Diversity of the chemical makeup of the structures is observed: four structures are cocrystals and the other four are organic salts. In the packing motifs columnar systems are the commonest among those observed

Tuning Solid-State Calix[n]arene Supramolecular Assemblies Using Phenanthroline as the Guest Molecule

© 2019 American Chemical Society. Of the available ligands for the study of molecular recognition by para-sulfonato-calix[n]arene receptors, phenanthroline is proving to a far more versatile moiety than it would have initially been expected. Interactions with two anionic host molecules, para-sulfonato-calix[4]arene and para-sulfonato-calix[8]arene, have been previously examined in depth and described. In this paper, further structural studies concerning supramolecular self-assembly species of unsubstituted calix[6]arene, para-sulfonato-calix[6]arene, para-sulfonato-calix[4]arene, and 25,27-O-di(carboxymethoxy)-calix[4]arene with phenanthroline are reported. Structures of crystalline host-guest complexes were determined by means of X-ray diffraction. Diversity of the chemical makeup of the structures is observed: four structures are cocrystals and the other four are organic salts. In the packing motifs columnar systems are the commonest among those observed