DNA methylation modulates nucleosome retention in sperm and H3K4 methylation deposition in early mouse embryos.

In the germ line and during early embryogenesis, DNA methylation (DNAme) undergoes global erasure and re-establishment to support germ cell and embryonic development. While DNAme acquisition during male germ cell development is essential for setting genomic DNA methylation imprints, other intergenerational roles for paternal DNAme in defining embryonic chromatin are unknown. Through conditional gene deletion of the de novo DNA methyltransferases Dnmt3a and/or Dnmt3b, we observe that DNMT3A primarily safeguards against DNA hypomethylation in undifferentiated spermatogonia, while DNMT3B catalyzes de novo DNAme during spermatogonial differentiation.

Towards 3D determination of the surface roughness of core-shell microparticles as a routine quality control procedure by scanning electron microscopy.

Recently, we have developed an algorithm to quantitatively evaluate the roughness of spherical microparticles using scanning electron microscopy (SEM) images. The algorithm calculates the root-mean-squared profile roughness (RMS-R) of a single particle by analyzing the particle's boundary. The information extracted from a single SEM image yields however only two-dimensional (2D) profile roughness data from the horizontal plane of a particle.

Mechanistic Insights of Ethylene Polymerization on Phillips Chromium Catalysts.

Silica-supported chromium oxide catalysts, also named Phillips chromium catalysts (PCCs), provide more than half of the world's production of high- and medium-density polyethylenes. PCCs are usually prepared in the Cr(VI)/SiO form, which is subjected to reductive activation. It has been explicitly proven that CO reduces Cr(VI) to Cr(II) species that initiate ethylene polymerization; ethylene activates Cr(VI) sites as well, but the nature of the catalytic species is complicated by the presence of the ethylene oxidation products.

MAO- and Borate-Free Activating Supports for Group 4 Metallocene and Post-Metallocene Catalysts of α-Olefin Polymerization and Oligomerization.

Modern industry of advanced polyolefins extensively uses Group 4 metallocene and post-metallocene catalysts. High-throughput polyolefin technologies demand the use of heterogeneous catalysts with a given particle size and morphology, high thermal stability, and controlled productivity. Conventional Group 4 metal single-site heterogeneous catalysts require the use of high-cost methylalumoxane (MAO) or perfluoroaryl borate activators.

Dispersant and Protective Roles of Amphiphilic Poly(ethylene phosphate) Block Copolymers in Polyester/Bone Mineral Composites.

Composites of synthetic bone mineral substitutes (BMS) and biodegradable polyesters are of particular interest for bone surgery and orthopedics. Manufacturing of composite scaffolds commonly uses mixing of the BMS with polymer melts. Melt processing requires a high homogeneity of the mixing, and is complicated by BMS-promoted thermal degradation of polymers.

The insulator BEAF32 controls the spatial-temporal expression profile of the telomeric retrotransposon TART in the Drosophila germline.

Insulators are architectural elements implicated in the organization of higher-order chromatin structures and transcriptional regulation. However, it is still unknown how insulators contribute to Drosophila telomere maintenance. Although the Drosophila telomeric retrotransposons HeT-A and TART occupy a common genomic niche, they are regulated independently.

Mesoscale Simulations of Structure Formation in Polyacrylonitrile Nascent Fibers Induced by Binary Solvent Mixture.

Polyacrylonitrile (PAN) is widely used as a raw material for the production of high-modulus carbon fibers, the internal structure of which is directly affected by the spinning of the precursor. Although PAN fibers have been studied for a long time, the formation of their internal structure has not been sufficiently investigated theoretically. This is due to the large number of stages in the process and the parameters controlling them.

Sensitivity of Neuroblastoma and Induced Neural Progenitor Cells to High-Intensity THz Radiation.

THz radiation induces a variety of processes in cells and has attracted the attention of researchers in recent decades. Here, data on the effects of high-intensity terahertz (THz) radiation on human directly reprogrammed neural progenitor cells (drNPCs) and on neuroblastoma cells (SK-N-BE (2)) were obtained for the first time. The results demonstrated that the exposure of non-tumor and tumor cells to broadband (0.

Coordination Polymers of Polyphenyl-Substituted Potassium Cyclopentadienides.

A series of potassium salts of di- and tri-arylsubstituted cyclopentadienes has been obtained by the metalation of the corresponding cyclopentadienes with benzylpotassium in THF media. Crystals of all compounds, afforded by recrystallization from THF/hexane, diglyme-THF/hexane and toluene/hexane mixtures, have been studied by X-ray diffraction. All studied potassium cyclopentadienides exhibit the luminescence at room temperature and overall quantum yield of photoluminescence for potassium salt of diarylsubstituted cyclopentadiene is 18%.

Studying the genotoxic effects of high intensity terahertz radiation on fibroblasts and CNS tumor cells.

The data is obtained on the effect of high-intensity pulses of terahertz (THz) radiation with a broad spectrum (0.2-3 THz) on cell cultures. We have evaluated the threshold exposure parameters of THz radiation causing genotoxic effects in fibroblasts.

Self-assembly in systems based on L-cysteine-silver-nitrate aqueous solution: multiscale computer simulation.

We use fully atomistic, quantum mechanics and mesoscopic simulations to investigate multiscale structure formation in a supramolecular system based on aqueous solutions of silver nitrate with L-cysteine (CSS). Fully atomistic modeling reveals that silver mercaptide clusters are formed in solution at the stage of aging, which has a pronounced "core-shell" structure. The core is formed due to the bonding of SAg groups of silver mercaptide (SM) zwitterions while the shell consists of NH and C(O)O groups.

The Use of Branching Agents in the Synthesis of PBAT.

Biodegradable polyesters represent an advanced alternative to polyolefin plastics in various applications. Polybutylene adipate terephthalate (PBAT) can compete with polyolefins in terms of their mechanical characteristics and melt processing conditions. The properties of PBAT depend on the molecular weight, dispersity, and architecture of the copolymer.

Effect of Nanoparticles Surface Bonding and Aspect Ratio on Mechanical Properties of Highly Cross-Linked Epoxy Nanocomposites: Mesoscopic Simulations.

The paper aims to study the mechanical properties of epoxy resin filled with clay nanoparticles (NPs), depending on their shapes and content on the surface of a modifying agent capable of forming covalent bonds with a polymer. The cylindrical clay nanoparticles with equal volume and different aspects ratios (disks, barrel, and stick) are addressed. The NPs' bonding ratio with the polymer () is determined by the fraction of reactive groups and conversion time and varies from = 0 (non-bonded nanoparticles) to = 0.

Antibacterial Poly(ε-CL)/Hydroxyapatite Electrospun Fibers Reinforced by Poly(ε-CL)--poly(ethylene phosphoric acid).

In bone surgery and orthopedics, bioresorbable materials can be helpful in bone repair and countering post-op infections. Explicit antibacterial activity, osteoinductive and osteoconductive effects are essential to achieving this objective. Nonwoven electrospun (ES) fibers are receiving the close attention of physicians as promising materials for wound dressing and tissue engineering; potentially, in high contrast with dense materials, ES mats hamper regeneration of the bone extracellular matrix to a lesser extent.

Additive-induced ordered structures formed by PCBM fullerene derivatives.

We report the results of an experimental and theoretical study of structure formation in mixtures of phenyl-C-butyric acid methyl ester (PCBM) with high boiling octane based solvent additives 1,8-octanedithiol (ODT), 1,8-dibromooctane, and 1,8-diiodooctane obtained by evaporation of a host-solvent (chlorobenzene). Experimental studies by DSC, SAXS and WAXS methods found evidence of crystallization of fullerenes in the presence of the high boiling additives in the mixtures. A molecular dynamics simulation of a PCBM/ODT mixture revealed the self-assembly of fullerenes into sponge-like network structures.

In Vitro and In Vivo Studies of Biodegradability and Biocompatibility of Poly(εCL)--Poly(EtOEP)-Based Films.

The control of surface bioadhesive properties of the subcutaneous implants is essential for the development of biosensors and controlled drug release devices. Poly(alkyl ethylene phosphate)-based (co)polymers are structurally versatile, biocompatible and biodegradable, and may be regarded as an alternative to poly(ethylene glycol) (PEG) copolymers in the creation of antiadhesive materials. The present work reports the synthesis of block copolymers of ε-caprolactone (εCL) and 2-ethoxy-1,3,2-dioxaphospholane-2-oxide (ethyl ethylene phosphate, EtOEP) with different content of EtOEP fragments, preparation of polymer films, and the results of the study of the impact of EtOEP/εCL ratio on the hydrophilicity (contact angle of wetting), hydrolytic stability, cytotoxicity, protein and cell adhesion, and cell proliferation using umbilical cord multipotent stem cells.

Comparative Experimental and Theoretical Study of Mg, Al and Zn Aryloxy Complexes in Copolymerization of Cyclic Esters: The Role of the Metal Coordination in Formation of Random Copolymers.

Homogeneity of copolymers is a general problem of catalytic coordination polymerization. In ring-opening polymerization of cyclic esters, the rational design of the catalyst is generally applied to solve this problem by the equalization of the reactivities of comonomers-however, it often leads to a reduction of catalytic activity. In the present paper, we studied the catalytic behavior of BnOH-activated complexes (ВНТ)Mg(THF)Bu (), (ВНТ)AlMe () and [(ВНТ)ZnEt] (), based on 2,6-di--butyl-4-methylphenol (BHT-H) in homo- and copolymerization of -lactide (LA) and ε-caprolactone (εCL).

Epigenetic Requirements for Triggering Heterochromatinization and Piwi-Interacting RNA Production from Transgenes in the Germline.

Transgenes containing a fragment of the retrotransposon represent a powerful model of piRNA cluster formation in the germline. We revealed that the same transgenes located at different genomic loci form piRNA clusters with various capacity of small RNA production. Transgenic piRNA clusters are not established in piRNA pathway mutants.

Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization.

The crystal structures of three unusual chromium organophosphate complexes have been determined, namely, bis(μ-butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO:κO')di-μ-hydroxido-bis[(butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO)(butyl 2,6-di-tert-butyl-4-methylphenyl phosphato-κO)chromium](Cr-Cr) heptane disolvate or {Cr(μ-OH)[μ-PO(OBu)(O-2,6-Bu-4-MeCH)-κO:κO'][PO(OBu)(O-2,6-Bu-4-MeCH)-κO][HOPO(OBu)(O-2,6-Bu-4-MeCH)-κO]}·2CH, [Cr(CHOP)(CHOP)(OH)]·2CH, denoted (1)·2(heptane), [μ-bis(2,6-diisopropylphenyl) phosphato-1κO:2κO']bis[bis(2,6-diisopropylphenyl) phosphato]-1κO,2κO-chlorido-2κCl-triethanol-1κO,2κO-di-μ-ethanolato-1κO:2κO-dichromium(Cr-Cr) ethanol monosolvate or {Cr(μ-OEt)[μ-PO(O-2,6-Pr-CH)-κO:κO'][PO(O-2,6-Pr-CH)-κO]Cl(EtOH)}·EtOH, [Cr(CHO)(CHOP)Cl(CHO)]·CHO, denoted (2)·EtOH, and di-μ-ethanolato-1κO:2κO-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κO][bis(2,6-diisopropylphenyl) phosphato-κO]chlorido(ethanol-κO)chromium}(Cr-Cr) benzene disolvate or {Cr(μ-OEt)[PO(O-2,6-Pr-CH)-κO][HOPO(O-2,6-Pr-CH)-κO]Cl(EtOH)}·2CH, [Cr(CHO)(CHOP)(CHOP)Cl(CHO)]·2CH, denoted (3)·2CH. Complexes (1)-(3) have been synthesized by an exchange reaction between the in-situ-generated corresponding lithium or potassium disubstituted phosphates with CrCl(HO) in ethanol. The subsequent crystallization of (1) from heptane, (2) from ethanol and (3) from an ethanol/benzene mixture allowed us to obtain crystals of (1)·2(heptane), (2)·EtOH and (3)·2CH, whose structures have the monoclinic P2, orthorhombic P222 and triclinic P-1 space groups, respectively.

OT-82, a novel anticancer drug candidate that targets the strong dependence of hematological malignancies on NAD biosynthesis.

Effective treatment of some types of cancer can be achieved by modulating cell lineage-specific rather than tumor-specific targets. We conducted a systematic search for novel agents selectively toxic to cells of hematopoietic origin. Chemical library screenings followed by hit-to-lead optimization identified OT-82, a small molecule with strong efficacy against hematopoietic malignancies including acute myeloblastic and lymphoblastic adult and pediatric leukemias, erythroleukemia, multiple myeloma, and Burkitt's lymphoma in vitro and in mouse xenograft models.

Data for quantum-chemical modeling of the mechanisms of ring-opening polymerization of methyl ethylene phosphate.

The data presented in this paper are related to the research article entitled "Mechanistic study of transesterification in TBD-catalyzed ring-opening polymerization of methyl ethylene phosphate" (Nifant'ev et al., 2019). In this data article, we present 3D molecular information of 76 structures for TBD-catalyzed transformations of methyl ethylene phosphate (MeOEP) and trimethyl phosphate (TMP).

The structural diversity of heterocycle-fused potassium cyclopentadienides.

Cyclopentadienides of d- and f-elements are highly important complexes with undoubted potential for practical applications. Annelation of a heterocyclic fragment with an η-ring results in substantial improvement of the catalytic properties of these compounds, called "heterocenes"; the investigation of metal coordination with these specific ligands is a highly important problem. We prepared potassium derivatives 5-8 of heterocycle-annelated cyclopentadienes with different structures - derivatives of cyclopenta[1,2-:4,3-']dithiophene (1), indeno[2,1-]indole (2), indeno[1,2-]indole (3), and indeno[1,2-]indolizine (4) and studied the crystal and molecular structures of these salts by X-ray diffraction.

(1,2,4)-1,2,4-Tri-phenyl-cyclo-pentane-1,2-diol and (1,2,4)-4-(2-meth-oxy-phen-yl)-1,2-di-phenyl-cyclo-pentane-1,2-diol: application as initiators for ring-opening polymerization of ∊-caprolactone.

Reductive cyclization of 1,3,5-triphenyl- and 3-(2-meth-oxy-phen-yl)-1,5-di-phenyl-pentane-1,5-diones by zinc in acetic acid medium leads to the formation of 1,2,4-tri-phenyl-cyclo-pentane-1,2-diol [1,2,4-PhCH-1,2-(OH), CHO, ()] and 4-(2-meth-oxy-phen-yl)-1,2-di-phenyl-cyclo-pentane-1,2-diol [4-(2-MeOCH)-1,2-PhCH-1,2-(OH), CHO, ()]. Their single crystals have been obtained by crystallization from a THF/hexane solvent mixture. Diols () and () crystallize in ortho-rhom-bic () and triclinic ( ) space groups, respectively, at 150 K.

Bis[μ-bis-(2,6-diiso-propyl-phen-yl) phosphato-κ :']bis-[(2,2'-bi-pyridine-κ ,')lithium] toluene disolvate and its catalytic activity in ring-opening polymerization of ∊-caprolactone and l-dilactide.

The solvated centrosymmmtric title compound, [Li(CHOP)(CHN)]·2CH, was formed in the reaction between {Li[(2,6-PrCH-O)POO](MeOH)}(MeOH) and 2,2'-bi-pyridine (bipy) in toluene. The structure has monoclinic (2/) symmetry at 120 K and the asymmetric unit consists of half a complex mol-ecule and one mol-ecule of toluene solvent. The diaryl phosphate ligand demonstrates a μ-κ:κ'-bridging coordination mode and the 2,2'-bi-pyridine ligand is chelating to the Li cation, generating a distorted tetra-hedral LiNO coordination polyhedron.

Dynamic and Static Mechanical Properties of Crosslinked Polymer Matrices: Multiscale Simulations and Experiments.

We studied the static and dynamic mechanical properties of crosslinked polymer matrices using multiscale simulations and experiments. We continued to develop the multiscale methodology for generating atomistic polymer networks, and applied it to the case of phthalonitrile resin. The mechanical properties of the resulting networks were analyzed using atomistic molecular dynamics (MD) and dissipative particle dynamics (DPD).