Anterior Cruciate Ligament Ruptures in Russian Premier League Soccer Players During the 2010 to 2021/2022 Competitive Seasons: The Epidemiology and Details of Return to Sports.

Background: There are limited data on the epidemiology of anterior cruciate ligament (ACL) ruptures in elite adult soccer players, especially in the Russian Premier League (RPL). There is an increased risk of injury due to a combination of additional risk factors such as playing in extremely high and low temperatures, frequent long flights, and regular play on natural and artificial surfaces.

Purpose: To study the epidemiology of ACL ruptures and determine the patterns associated with their occurrence in RPL soccer players.

X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals.

The MD simulation package Amber offers an attractive platform to refine crystallographic structures of proteins: (i) state-of-the-art force fields help to regularize protein coordinates and reconstruct the poorly diffracting elements of the structure, such as flexible loops; (ii) MD simulations restrained by the experimental diffraction data provide an effective strategy to optimize structural models of protein crystals, including explicitly modeled interstitial solvent as well as crystal contacts. Here, we present the new crystallography module , released as a part of the Amber 2023 package. This module contains functions to calculate and scale structure factors (including the contributions from bulk solvent), evaluate the maximum-likelihood-type crystallographic potential, and compute its derivative forces.

Using NMR diffusion data to validate MD models of disordered proteins: Test case of N-terminal tail of histone H4.

MD simulations can provide uniquely detailed models of intrinsically disordered proteins (IDPs). However, these models need careful experimental validation. The coefficient of translational diffusion D, measurable by pulsed field gradient NMR, offers a potentially useful piece of experimental information related to the compactness of the IDP's conformational ensemble.

Histone H4 Tails in Nucleosomes: a Fuzzy Interaction with DNA.

The interaction of positively charged N-terminal histone tails with nucleosomal DNA plays an important role in chromatin assembly and regulation, modulating their susceptibility to post-translational modifications and recognition by chromatin-binding proteins. Here, we report residue-specific N NMR relaxation rates for histone H4 tails in reconstituted nucleosomes. These data indicate that H4 tails are strongly dynamically disordered, albeit with reduced conformational flexibility compared to a free peptide with the same sequence.

Molecular Dynamics model of peptide-protein conjugation: case study of covalent complex between Sos1 peptide and N-terminal SH3 domain from Grb2.

We have investigated covalent conjugation of VPPPVPPRRRX' peptide (where X' denotes N-chloroacetyl lysine) to N-terminal SH3 domain from adapter protein Grb2. Our experimental results confirmed that the peptide first binds to the SH3 domain noncovalently before establishing a covalent linkage through reaction of X' with the target cysteine residue C32. We have also confirmed that this reaction involves a thiolate-anion form of C32 and follows the S2 mechanism.

What Drives N Spin Relaxation in Disordered Proteins? Combined NMR/MD Study of the H4 Histone Tail.

Backbone (N) NMR relaxation is one of the main sources of information on dynamics of disordered proteins. Yet, we do not know very well what drives N relaxation in such systems, i.e.

A new structural arrangement in proteins involving lysine NH group and carbonyl.

Screening of the Protein Data Bank led to identification of a recurring structural motif where lysine NH group interacts with backbone carbonyl. This interaction is characterized by linear atom arrangement, with carbonyl O atom positioned on the three-fold symmetry axis of the NH group (angle C-N-O close to 180°, distance N-O ca. 2.

Onset of disorder and protein aggregation due to oxidation-induced intermolecular disulfide bonds: case study of RRM2 domain from TDP-43.

We have investigated the behavior of second RNA-recognition motif (RRM2) of neuropathological protein TDP43 under the effect of oxidative stress as modeled in vitro. Toward this end we have used the specially adapted version of H/D exchange experiment, NMR relaxation and diffusion measurements, dynamic light scattering, controlled proteolysis, gel electrophoresis, site-directed mutagenesis and microsecond MD simulations. Under oxidizing conditions RRM2 forms disulfide-bonded dimers that experience unfolding and then assemble into aggregate particles (APs).

Simple MD-based model for oxidative folding of peptides and proteins.

Significant strides have been recently made to fold peptides and small proteins in silico using MD simulations. However, facilities are currently lacking to include disulfide bonding in the MD models of protein folding. To address this problem, we have developed a simple empirical protocol to model formation of disulfides, which is perturbation-free, retains the same speed as conventional MD simulations and allows one to control the reaction rate.

AquaBridge: A novel method for systematic search of structural water molecules within the protein active sites.

We have developed a novel method for calculation of the water bridges that can be formed in the active sites of proteins in the absence or in the presence of small-molecule ligands. We tested its efficiency on a representative set of human ATP-binding proteins, and show that the docking accuracy of ligands can be substantially improved when water bridges are included in the modeling of protein-ligand interactions. Our analysis of binding pocket hydration can be a useful addition to the in silico approaches of Drug Design.

[Intraabdominal hypertension in patients with acute conditions of abdominal cavity].

Treatment results of 301 patients with intraabdominal hypertension were analyzed. Indications for abdominal decompression were substantiated and defined. Algorythm, the novel surgical technique and instrumentarium for different decompressive surgery by peritonitis, acute intestinal obstruction and pancreonecrosis.

Biochemical characteristics of the Ca2+ pumping ATPase in the peribacteroid membrane from broad bean root nodules.

Ca(2+)-ATPase in the peribacteroid membrane (PBM) of symbiosomes isolated from Vicia faba root nodules was characterized in terms of its hydrolytic and transport activities. Both activities were found to be pH-dependent and exhibit pH optimum at pH 7.0.

[Hypoxic stress and the transport systems of the peribacteroid membrane of bean root nodules].

When the roots of Vicia faba L. beans were subjected to hypoxic stress, the activity of H(+)-ATPase on the peribacteroid membrane, as well as the transport of dicarboxylates (malate and succinate) mediated by this enzyme, decreased. Since malate and succinate are the main carbon-containing metabolites involved in the energy supply to bacteroids, this caused a change of the relation type from mutualism to commensalism, and the domination of the eukaryote over the prokaryote consequently increased.

[Intraabdominal pressure control by hernia repair].

Methods of indirect abdominal pressure measurement by hernia repair are studied experimentally and in clinic. The study resulted in the creation of the complex of preoperative patient preparation with the use of pneumobandage. The extent of safe intraabdominal pressure gradient after hernia closure is defined.

[Hardware controlled laparostomy in staged treatment of peritonitis with abdominal compression syndrome].

Clinical results of treatment were analyzed in 97 with patients generalized peritonitis. Application of staging hardware controlled laparostomy (HCL) allowed to halve the frequency of wound complication in comparison with semienclosed treatment mode. High clinical efficacy of control and correction of biophysical parameters of abdominal cavity was revealed: lethality from generalized peritonitis decreases in 2.

[The effect of metabolites on the pH gradient and membrane potential of the bean peribacteroid membrane].

The effects of malate, succinate, and glutamate on the kinetics of changes in the pH gradient (delta pH) and membrane potential (delta psi) on the peribacteroid membrane (PBM) of the symbiosomes of bean root nodules varying in age were recorded spectrophotometrically. Addition of all the tested metabolites to potassium-free incubation medium stimulated a passive acidification of the peribacteroid space (PBS) and dissipation of delta psi in PBM of young developing nodules in the presence of the K+/H+ antiporter nigericin in the medium. However, in mature nodules with a high nitrogen-fixing activity, only malate and succinate (but not glutamate) increased delta pH during both passive and ATP-dependent PBS acidification.

[Experimental-clinical grounds for the treatment of granulating soft tissue wounds by the wound edge approximating stapler].

Factors of risk of the appearance of wound complications were studied in experiment on a model of granulating wounds in 18 mongrel dogs. A traditional method (control group) and an apparatus method (main group) were used for suturing the wounds. In the main group of animals suturing the wounds was performed after bringing together the wound edges by specially designed devices.

[Extrawound programmed vulnosynthesis in the treatment of festering wounds].

The treatment of 200 patients with granulating wound of soft tissues was analyzed. A conventional method of treatment was used in 90 patients. In the study group (110 patients) different types of adaptive-reposition devices and the method of extrawound programmed vulnosynthesis were used.

[New trends in surgical technologies of soft tissue wound management].

The authors performed an animal model study of postoperative wound complications using 72 white Wistar rats and 36 mongrel dogs with aseptic cut wounds, granulating wounds, and relaparotomic wounds. In the control group the wounds were closed by a conventional method; in the main group a machine stitch was performed. Wound closure in the main group was performed after approximation of wound edges with specially constructed devices.

[Method of suturing of median laparotomic wounds].

New method of suturing of median laparotomic wounds with interrupted twined (IT) suture is developed. Efficacy of IT-suture compared with other methods was evaluated in experiment (68 animals) and clinical study based on following data -- time of elimination of local inflammation in wound area, number and nature of purulent complications, long-term results of treatment (postoperative ventral hernias). Use of IT-suture in clinical practice permitted to reduce number of purulent complications from 23.