124 results match your criteria: "Kazan Scientific Center of Russian Academy of Sciences[Affiliation]"

Glycosaminoglycans: What Remains To Be Deciphered?

JACS Au

March 2023

University Claude Bernard Lyon 1, CNRS, INSA Lyon, CPE, Institute of Molecular and Supramolecular Chemistry and Biochemistry, UMR 5246, Villeurbanne F 69622 Cedex, France.

Glycosaminoglycans (GAGs) are complex polysaccharides exhibiting a vast structural diversity and fulfilling various functions mediated by thousands of interactions in the extracellular matrix, at the cell surface, and within the cells where they have been detected in the nucleus. It is known that the chemical groups attached to GAGs and GAG conformations comprise "glycocodes" that are not yet fully deciphered. The molecular context also matters for GAG structures and functions, and the influence of the structure and functions of the proteoglycan core proteins on sulfated GAGs and vice versa warrants further investigation.

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  • Ribosome biogenesis is a detailed process involving the maturation of ribosomal subunits, which requires the coordination of various proteins, RNAs, and enzymes.
  • The study focuses on ribosomal binding factor A (RbfA), detailing its crystal and NMR structures as well as a cryo-EM visualization of the 30S-RbfA complex.
  • The findings reveal that RbfA's role in ribosomal subunit maturation is similar in bacteria and mitochondria, suggesting potential targets for developing new antibiotics against bacterial infections.
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Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization.

J Cheminform

February 2023

Computer Science and Artificial Intelligence Laboratory, ENGIE Lab CRIGEN, 4 rue Josephine Baker, 93240, Stains, France.

Article Synopsis
  • The paper enhances the junction tree variational autoencoder (JT VAE) by improving its implementation and utilizing its internal feature space for various tasks.
  • It demonstrates that pretraining the JT VAE on a large dataset, specifically the ZINC database, and subsequent optimization with a regression model allows for multitasking capabilities like prediction, generation, and optimization.
  • The study evaluates the model using the QM9 dataset, showing that it outperforms existing models in generating new molecules and optimizing molecular properties while maintaining high precision.
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Competition for nutrients and niches (CNN) is known to be one of the mechanisms for biocontrol mostly exhibited by strains. Phenotypic and full genome analysis revealed PCL1760 controlling tomato foot and root rot (TFRR) solely through CNN mechanism. Although the availability of nutrients and motility are the known conditions for CNN, persistence of bacteria through dormancy by ribosomal hibernation is a key phenomenon to evade both biotic and abiotic stress.

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  • Pectobacterium and Dickeya species are harmful plant pathogens that damage plant tissues by producing enzymes that break down cell walls, but they also employ stealth tactics to manipulate plant responses.
  • These bacteria alter the hormonal balance in host plants, promote modifications to plant cell walls, and stimulate processes that ultimately weaken the plant's defenses, making it more susceptible to disease.
  • SRP populations consist of diverse cells specialized for different functions, allowing them to adapt to various environments and improve their overall survival and virulence during infection.
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Post-traumatic spinal cord remodeling includes both degenerating and regenerating processes, which affect the potency of the functional recovery after spinal cord injury (SCI). Gene therapy for spinal cord injury is proposed as a promising therapeutic strategy to induce positive changes in remodeling of the affected neural tissue. In our previous studies for delivering the therapeutic genes at the site of spinal cord injury, we developed a new approach using an autologous leucoconcentrate transduced ex vivo with chimeric adenoviruses (Ad5/35) carrying recombinant cDNA.

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Hydroxyapatite (HA) with a stoichiometry composition of Ca(PO)(OH) is widely applied for various biomedical issues, first of all for bone defect substitution, as a catalyst, and as an adsorbent for soil and water purification. The incorporation of foreign ions changes the acid-base relation, microstructure, porosity, and other properties of the HA materials. Here, we report the results of calculations of the density functional theory and analyze the possibility of two foreign ions, CO and Mg, to be co-localized in the HA structure.

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Unlabelled: In recent years, plant growth-promoting rhizobacteria (PGPR) have received increased attention due to their prospective use as biofertilizers for the enhancement of crop growth and yields. However, there is a growing need to identify new PGPR isolates with additional beneficial properties. In this paper, we describe the identification of a new strain of a non-sporulating Gram-positive bacterium isolated from the rhizosphere of potato plants, classified as MG-1 based on whole-genome sequencing.

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High-strength PI and PEI polymers differ by chemical structure and flexibility of the polymer chains that ensure lower cost and higher manufacturability of the latter. The choice of a particular polymer matrix is of actuality at design of antifriction composites on their basis. In this study, a comparative analysis of tribological behavior of PI and PEI- based composites was carried out with linear contact rubbing.

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Y98 Mutation Leads to the Loss of RsfS Anti-Association Activity in .

Int J Mol Sci

September 2022

Department of Integrated Structural Biology, Institute of Genetics and Molecular and Cellular Biology, INSERM, U964, CNRS, UMR7104, University of Strasbourg, 67400 Illkirch Graffenstaden, France.

Article Synopsis
  • Ribosomal silencing factor S (RsfS) is a key protein that helps shut down ribosomes and supports cell survival during starvation, and is essential for the formation of the large ribosomal subunit.* -
  • RsfS inhibits the binding of the uL14 ribosomal protein to the large subunit, preventing it from joining with the small subunit.* -
  • Recent experiments identified critical amino acid Y98 on RsfS that could be a new target for drug development aimed at treating infections.*
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The use of microorganism-based products in agricultural practices is gaining more interest as an alternative to chemical methods due to their non-toxic bactericidal and fungicidal properties. Various factors influence the efficacy of the microorganisms used as biological control agents in infield conditions as compared to laboratory conditions due to ecological and physiological aspects. Abiotic factors have been shown to trigger phase variations in bacterial microorganisms as a mechanism for adapting to hostile environments.

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To cause plant diseases, phytopathogenic fungi use numerous extracellular enzymes, among which, the phenoloxidases (POs) seem underestimated for the pathogens of non-woody plants. Our study aimed to (1) compare extracellular PO activities (lignin peroxidase, Mn peroxidase, laccase, and tyrosinase) in differentially virulent strains (inhabiting winter rye in a single field) of the phytopathogenic species, ; (2) check whether these activities are responsive to host plant metabolites; and (3) search for correlations between the activities, lignin-decomposing capacity, and virulence. All strains displayed all four enzymatic activities, but their levels and dynamics depended on the particular strain.

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  • RimP is a crucial 17.7 kDa protein necessary for the maturation and efficient processing of the 30S ribosome's 16S rRNA, being involved in early assembly stages.
  • It helps stabilize the central pseudoknot during the initial steps of 30S subunit maturation, although the exact mechanism remains unclear.
  • The study details the chemical shift assignments of RimP from Staphylococcus aureus, revealing its structure, which includes eight β-strands and three α-helices, and aims to facilitate the discovery of selective inhibitors for bacterial translation.
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This article presents data on electron paramagnetic resonance (EPR) and mass spectrometric analysis of potato tubers, irradiated with gamma rays, in order to examine and identify changes in the molecular composition of organic matter following radiation exposure. The products of the Maillard reaction were compared with the products of intramolecular radiolysis of organic constituents of potatoes. The presence of free radicals was verified using EPR.

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  • Proteins with carbohydrate-binding lectin domains are widely found in plants and play a key role in the complex structure of plant cell walls, which change during development.
  • Researchers conducted a genome-wide search for lectin motifs in maize roots, identifying 306 gene sequences linked to different stages of root cell development.
  • Many identified lectins show high expression levels during root growth and are associated with cell wall metabolism, suggesting their importance in early root formation and development.
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25-Hydroxycholesterol as a Signaling Molecule of the Nervous System.

Biochemistry (Mosc)

June 2022

Laboratory of Biophysics of Synaptic Processes, Kazan Institute of Biochemistry and Biophysics, Federal Research Center "Kazan Scientific Center of Russian Academy of Sciences", Kazan, 420111, Russia.

Cholesterol is an essential component of plasma membrane and precursor of biological active compounds, including hydroxycholesterols (HCs). HCs regulate cellular homeostasis of cholesterol; they can pass across the membrane and vascular barriers and act distantly as para- and endocrine agents. A small amount of 25-hydroxycholesterol (25-HC) is produced in the endoplasmic reticulum of most cells, where it serves as a potent regulator of the synthesis, intracellular transport, and storage of cholesterol.

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Multifaceted Computational Modeling in Glycoscience.

Chem Rev

October 2022

FRC Kazan Scientific Center of Russian Academy of Sciences, Kazan Institute of Biochemistry and Biophysics, Kazan 420111, Russia.

Glycoscience assembles all the scientific disciplines involved in studying various molecules and macromolecules containing carbohydrates and complex glycans. Such an ensemble involves one of the most extensive sets of molecules in quantity and occurrence since they occur in all microorganisms and higher organisms. Once the compositions and sequences of these molecules are established, the determination of their three-dimensional structural and dynamical features is a step toward understanding the molecular basis underlying their properties and functions.

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Charge Separation and Intersystem Crossing in Homo- and Hetero-Compact Naphthalimide Dimers.

J Phys Chem B

June 2022

Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou 515063, P. R. China.

Naphthalimide (NI) homo- and hetero-dimers adopting orthogonal geometry were prepared to study photo-induced symmetry-breaking charge transfer (SBCT) and charge recombination (CR)-induced intersystem crossing (ISC). The two moieties in the dimer are connected either at the 3-C or 4-C position of the NI unit. The photophysical properties of the dimers were studied with steady-state and transient absorption spectroscopic methods.

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E-site drug specificity of the human pathogen ribosome.

Sci Adv

May 2022

Department of Integrated Structural Biology, Institute of Genetics and Molecular and Cellular Biology, University of Strasbourg, Illkirch, France.

Article Synopsis
  • A widespread commensal fungus poses a significant health risk due to its increasing resistance to current antifungal medications, particularly cycloheximide (CHX).
  • The lack of structural information has hampered the understanding of this resistance and the development of new treatment options.
  • Researchers successfully determined the structure of the ribosome and its complexes with inhibitors, revealing a key change in a specific ribosomal protein that accounts for CHX resistance, paving the way for future antifungal drug innovations.
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Polymer self-healing films containing fragments of pillar[5]arene were obtained for the first time using thiol/disulfide redox cross-linking. These films were characterized by thermogravimetric analysis and differential scanning calorimetry, FTIR spectroscopy, and electron microscopy. The films demonstrated the ability to self-heal through the action of atmospheric oxygen.

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We observed a long-lived charge transfer (CT) state in a novel orthogonal compact electron donor-acceptor dyads, with closed form of rhodamine (Rho) as electron donor and pyromellitimide (PI),or thionated PI, as electron acceptor. The two parts in the dyads are connected via a spiro quaternary carbon atom, thus the torsion between the donor and acceptor is completely inhibited, which is beneficial to reduce the reorganization energy and to exploit the Marcus inverted region effect to prolong the CT state lifetime. Femtosecond transient absorption spectra show that the charge separation is rather fast, while nanosecond transient absorption spectra confirmed the formation of long-lived CT state (2.

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A long-lived triplet charge separated state (CS state lifetime: 0.56 μs) was observed in a electron donor-acceptor dyad with electron donor phenothiazine (PTZ) and acceptor anthraquinone (AQ) directly connected by a single C-N bond (). The CS state energy (2.

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A new approach is introduced to obtain information about the adiabatic potential energy surface of the Jahn-Teller (JT) complexes subject to theT⊗e+t2problem in doped crystals. It employs simulation of the contribution of the JT sub-system to ultrasonic attenuation with account of three mechanisms of relaxation and subsequent comparison with the experimental data on temperature dependence of the attenuation obtained with the use of doped crystal and nominally pure one. The approach has been applied to the CaFcrystal doped with chromium.

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  • The article discusses the design and biological properties of a fluorescent compound called BODIPYmyrt, which is made from a specific monoterpenoid and a fluorophore.
  • BODIPYmyrt has a high quantum yield (close to 100%) in the 515-518 nm range, indicating its effectiveness in fluorescence applications.
  • It can penetrate bacterial and fungal cell membranes, making it useful for studying various types of bacteria and fungi, and also shows potential for targeting subcellular structures like mitochondria in mammalian cells.
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This research focuses on the X-ray structure of 4,6-dichloro-5-nitrobenzofuroxan and of some of its amino derivatives ( and ) and on DFT calculations concerning the nucleophilic reactivity of . We have found that by changing the solvent used for crystallization, it is possible to obtain 4,6-dichloro-5-nitrobenzofuroxan () in different polymorphic structures. Moreover, the different torsional angles observed for the nitro group in and in its amino derivatives (, , and ) are strictly dependent on the steric hindrance of the substituent at C-4.

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