Polynuclear Metallic Architectures Based on Fluorinated Functionalized Diketonates

K.Y.S. is thankful to the Council for grants of the President of Russian Federation (grant no. 1453.2019.3)

A Rare Example of Discrete Lanthanide–Lithium Tetrakis-β-Diketonates: Synthesis, Structures, and Luminescence Properties

Abstract: The reactions of functionalized lithium CF3-β-diketonate (LiL) with europium(III) and terbium(III) chlorides in acetonitrile afford heterobimetallic complexes with the general formula [LiL-nL4(H2O)](CH3CN) (Ln = Eu (IIIa) and Tb (IIIb)). It is found that Ln–Li tetrakis-β-diketonates can also be prepared by the crystallization from acetonitrile of the previously synthesized complexes [(LnL3)(LiL)(MeOH)] (I) and [(LnL3)(LiL)(H2O)] (II). For the first time, the single crystals of the compounds in a series of Ln–Li tetrakis-β-diketonates are characterized by X-ray diffraction analysis (CIF files CCDC nos. 1973632 (IIIa) and 1973633 (IIIb)). The photoluminescence properties of the synthesized heterometallic complexes in the solid state are studied. © 2020, Pleiades Publishing, Ltd.This work was supported by the Russian Foundation for Basic Research (project no. 18-33-20124), Council for Grants of President of the Russian Federation (grant no. MK-1453.2019.3), and basic themes of the Russian Academy of Sciences (state registration nos. AAAA-A19-119011790132-7 and AAAA-A19-119012490006-1)

Dihydroazolopyrimidine crownophanes. Synthesis and tuberculostatic activity

Azolo[1,5-a]pyrimidines are considered to be purine analogues and they form one of the most promising groups of biologically active compounds[1-16] in medicinal chemistry. One of the strategies enhancing biochemical activity of azolo[1,5-a]pyrimidines is introduction of functional groups responsible for solubility and transport into their pharmacophore nucleus.[1,16] In this study, we wish to report ultrasound- and microwave-assisted one-pot cascade synthesis of macroheterocyclic 1-phenyl-2-(21-phenyl-10,11,13,14,20,20a-hexahydro-4aH-dibenzo-[13,14: 8,9][1,4,7] trioxacyclotetradecino[11,10-e]azolo[1,5-a]pyrimidin-20-yl)-1-ethanones. US and MV irradiation of the reaction mixtures under alkaline catalysis was found to promote a significant reduction of the reaction times (from 35 to 2 hours) and shift of the equilibrium in favor of 6,7-dihydroazolo[1,5-a]pyrimidine crownophanes in excellent yields (from 18[24] to 75 %). The high regio and stereoselectivity of the (R,S,R)-macroheterocyclic diastereomer formation was established by means of X-ray crystallography, 1H NMR spectroscopy, as well as HPLC and preparative chromatography. The aq. DMF appeared to be an acceptable solvent for stabilization of the important template-assisted pseudo-cyclic complex of the chalcone podand in this synthesis. Introduction of the dibenzo-crown ether transport moiety into 6,7-dihydroazolo[1,5-a]pyrimidines proved to increase their tuberculostatic activity in order to MIC 3.15 mg/ml. © ISUCT Publishing

Magnetic-Responsive Doxorubicin-Containing Materials Based on Fe3O4 Nanoparticles with a SiO2/PEG Shell and Study of Their Effects on Cancer Cell Lines

Novel nanocomposite materials based on Fe3O4 magnetic nanoparticles (MNPs) coated with silica and covalently modified by [(3-triethoxysilyl)propyl]succinic acid–polyethylene glycol (PEG 3000) conjugate, which provides a high level of doxorubicin (Dox) loading, were obtained. The efficiency of Dox desorption from the surface of nanomaterials under the action of an alternating magnetic field (AMF) in acidic and neutral media was evaluated. Their high cytotoxicity against tumor cells, as well as the drug release upon application of AMF, which leads to an increase in the cytotoxic effect, was demonstrated. © 2022 by the authors.Ministry of Education and Science of the Russian Federation, Minobrnauka: 075-15-2020-777This research was funded by the Ministry of Science and Higher Education of the Russian Federation, grant number 075-15-2020-777

Diagnostic Efficiency of Adsorbed Anthrax Vegetative Fluorescent Immunoglobulins Demonstrated in the Medical Trials

Studied is the diagnostic efficiency (specific activity, sensitivity, specificity, reproducibility) of anthrax vegetative fluorescent immunoglobulins. Based on the data, received in medical trials, this preparation is recommended for registration as a product for medical application in the Russian Federation

Breast cancer risk genes: association analysis in more than 113,000 women

BACKGROUNDGenetic testing for breast cancer susceptibility is widely used, but for many genes, evidence of an association with breast cancer is weak, underlying risk estimates are imprecise, and reliable subtype-specific risk estimates are lacking.METHODSWe used a panel of 34 putative susceptibility genes to perform sequencing on samples from 60,466 women with breast cancer and 53,461 controls. In separate analyses for protein-truncating variants and rare missense variants in these genes, we estimated odds ratios for breast cancer overall and tumor subtypes. We evaluated missense-variant associations according to domain and classification of pathogenicity.RESULTSProtein-truncating variants in 5 genes (ATM, BRCA1, BRCA2, CHEK2, and PALB2) were associated with a risk of breast cancer overall with a P value of less than 0.0001. Protein-truncating variants in 4 other genes (BARD1, RAD51C, RAD51D, and TP53) were associated with a risk of breast cancer overall with a P value of less than 0.05 and a Bayesian false-discovery probability of less than 0.05. For protein-truncating variants in 19 of the remaining 25 genes, the upper limit of the 95% confidence interval of the odds ratio for breast cancer overall was less than 2.0. For protein-truncating variants in ATM and CHEK2, odds ratios were higher for estrogen receptor (ER)-positive disease than for ER-negative disease; for protein-truncating variants in BARD1, BRCA1, BRCA2, PALB2, RAD51C, and RAD51D, odds ratios were higher for ER-negative disease than for ER-positive disease. Rare missense variants (in aggregate) in ATM, CHEK2, and TP53 were associated with a risk of breast cancer overall with a P value of less than 0.001. For BRCA1, BRCA2, and TP53, missense variants (in aggregate) that would be classified as pathogenic according to standard criteria were associated with a risk of breast cancer overall, with the risk being similar to that of protein-truncating variants.CONCLUSIONSThe results of this study define the genes that are most clinically useful for inclusion on panels for the prediction of breast cancer risk, as well as provide estimates of the risks associated with protein-truncating variants, to guide genetic counseling. (Funded by European Union Horizon 2020 programs and others.)Molecular tumour pathology - and tumour geneticsMTG1 - Moleculaire genetica en pathologie van borstkanke

Pd nanowire coatings of laser-treated polyethylene naphthalate: Preparation, characterization and biological response

Polymeric biomaterials treated by nanostructured metal coatings are very efficient against a wide spectrum of nosocomial pathogens. One of the most effective ways for the preparation of such metal/polymer composites is the combination of excimer laser modification of polymeric materials and vacuum evaporation of noble metals. By this way, we successfully prepared palladium nanowire arrays (PdNWs) supported on biocompatible polyethylene naphthalate (PEN). The characterization of prepared PdNWs on the surface of PEN was accomplished by various methods, such as X-ray Photoelectron Spectroscopy (XPS), Focussed Ion Beam Scanning Electron Microscopy (FIB-SEM), and Atomic Force Microscopy (AFM). PdNWs were preferentially formed from one side of underlying ripples. Pd release in antibacterial testing was measured by Inductively coupled plasma mass spectrometry (ICP-MS). Then, the antibacterial and cytotoxic effects were evaluated by (i) drop plate method using E. coli (G–) and S. epidermidis (G+ bacteria), and (ii) WST-1 cytotoxicity assay with three model cell lines (L929, NIH 3T3, RAW 264.7), respectively. Pd-treated samples exhibited significant antibacterial effects, increasing with cultivation time. Cytotoxicity assay showed that the absorbance of PEN/PdNWs samples was mildly decreased, suggesting considerably low cytotoxic effects of PdNWs

Intruder Data Classification Using GM-SOM

Part 2: Security, Access Control and Intrusion DetectionInternational audienceThis paper uses a simple modification of classic Kohonen network (SOM), which allows parallel processing of input data vectors or partitioning the problem in case of insufficient resources (memory, disc space, etc.) to process all input vectors at once. The algorithm has been implemented to meet a specification of modern multicore graphics processors to achieve massive parallelism. The algorithm pre-selects potential centroids of data clusters and uses them as weight vectors in the final SOM network.In this paper, the algorithm is used on a well-known KDD Cup 1999 intruders dataset

DOXORUBICIN SORPTION ONTO SiO2/AMINOSILANE-COATED MAGNETIC NANOPARTICLES

In this work, we describe the synthesis of magnetic nanoparticles (MNPs) by co-precipitation and the modification of their surface with alkoxysiloxane reagents. We evaluate the sorption activity of SiO2/aminosilane-coated MNPs using the antitumor drug doxorubicin.Работа выполнена в рамках темы государственного задания (АААА-А19-119011790130-3) с использованием оборудования Центра коллективного пользования «Спектроскопия и анализ органических соединений» (ЦКП «САОС», ИОС УрО РАН)