METASPACE-ML: Context-specific metabolite annotation for imaging mass spectrometry using machine learning.

Imaging mass spectrometry is a powerful technology enabling spatial metabolomics, yet metabolites can be assigned only to a fraction of the data generated. METASPACE-ML is a machine learning-based approach addressing this challenge which incorporates new scores and computationally-efficient False Discovery Rate estimation. For training and evaluation, we use a comprehensive set of 1710 datasets from 159 researchers from 47 labs encompassing both animal and plant-based datasets representing multiple spatial metabolomics contexts derived from the METASPACE knowledge base.

Prognostic Value of Subclinical Pulmonary Congestion With Stress Ultrasound of the Lungs in the Development of Heart Failure in Patients With Primary Myocardial Infarction and Percutaneous Coronary Intervention.

Aim      To determine the clinical and prognostic significance of subclinical pulmonary congestion, as evaluated by stress ultrasound (stress-US) examination of the lungs, in the development of heart failure (HF) during the postinfarction period after acute myocardial infarction (AMI) and percutaneous coronary intervention (PCI).Material and methods  This prospective observational study included 103 patients with no history of HF and with the first AMI and successful PCI. Standard laboratory tests, including the measurement of NT-proBNP, echocardiography, stress-US of the lungs with a 6-min walk test (6MWT), were performed for all patients.

Oncofertility and Reproductive Counseling in Patients with Breast Cancer: A Retrospective Study.

Introduction: Improving the prognosis of breast cancer patients is of utmost importance in terms of increasing survival rates. Modern medicine has therefore prioritized better quality of life for patients, even after the disease, through a better management of the potential long-term side effects induced by anticancer treatments. Fertility preservation and family planning are therefore crucial issues to be addressed in all cancer patients of reproductive age.

Rapid Automated Annotation and Analysis of N-Glycan Mass Spectrometry Imaging Data Sets Using NGlycDB in METASPACE.

Imaging N-glycan spatial distribution in tissues using mass spectrometry imaging (MSI) is emerging as a promising tool in biological and clinical applications. However, there is currently no high-throughput tool for visualization and molecular annotation of N-glycans in MSI data, which significantly slows down data processing and hampers the applicability of this approach. Here, we present how METASPACE, an open-source cloud engine for molecular annotation of MSI data, can be used to automatically annotate, visualize, analyze, and interpret high-resolution mass spectrometry-based spatial N-glycomics data.

Improving the Efficiency of Non-Stationary Climate Control in Buildings with a Non-Constant Stay of People by Using Porous Materials.

This article presents the results of experimental research on the non-stationary management of the internal climate of buildings with a non-constant stay of people. During the absence of people, a significant drop in air temperature and corresponding energy conservation in heating is possible. The effectiveness of porous building materials is shown, provided that the appropriate characteristics are selected.

Practical Aspects of Model-Based Collision Detection.

Recently, with the increased number of robots entering numerous manufacturing fields, a considerable wealth of literature has appeared on the theme of physical human-robot interaction using data from proprioceptive sensors (motor or/and load side encoders). Most of the studies have then the accurate dynamic model of a robot for granted. In practice, however, model identification and observer design proceeds collision detection.

The biological activities, molecular docking studies, and anticancer effects of 1-arylsuphonylpyrazole derivatives.

This work is devoted to definition of the direction of reaction between 1-benzenesulfonylimino pyridinium chloride and α- or β-halo-containing sulfamides, chloroacetic acid, 1-chloro-2,3-dihydroxypropane, etc. The optimal conditions for the synchronous reaction of heterocyclization are determined. Benzenesulfonyliminopyridinium chloride was obtained to form pyrazolopyridines with 1,2-polarophiles, and pyridazine pyridines with 1,3-polarophiles.

Novel tribenzylaminobenzolsulphonylimine based on their pyrazine and pyridazines: Synthesis, characterization, antidiabetic, anticancer, anticholinergic, and molecular docking studies.

A new method of obtaining multifunctional pyrazoles by the reaction of 1,3-dipolar addition of tribenzylsulfonyliminochloride to polarophiles has been developed. This imine is obtained by reacting tribenzylamine with N-chlorobenzene sulfamide (chloramine-B). Regardless of the structure and composition of polarophiles, the cyclization reaction takes place in the presence of alkali in 6-8 h of boiling, which proves the activation of the methylene groups of tribenzylamine using the electron-withdrawing sulfonamide group.

Quantifying Polymer Chain Orientation in Strong and Tough Nanofibers with Low Crystallinity: Toward Next Generation Nanostructured Superfibers.

Advanced fibers revolutionized structural materials in the second half of the 20th century. However, all high-strength fibers developed to date are brittle. Recently, pioneering simultaneous ultrahigh strength and toughness were discovered in fine (<250 nm) individual electrospun polymer nanofibers (NFs).

Synthesis and bioactivity of several new hetaryl sulfonamides.

1-(4-Methylsulfonyl)-2-thione-4-aryl-5-Z-6-methyl and oxyalkyl-imidazoles were synthesized from different tetrahydropyrimidinethiones and aryl sulfonyl chloride. These compunds were tested for metal chelating effects and to determine the phrase in which inhibition occured between two physiologically pertinent compunds and carbonic anhydrase (CA) isozymes I and II (hCA I and II), butyrylcholinesterase (BChE) and acetylcholinesterase (AChE). AChE was detected in high concentrations in the brain and red blood cells.

PERORAL ENDOSCOPIC MYOTOMY IN ESOPHAGEAL ACHALASIA: INTRAOPERATIVE COMPLICATIONS AND METHODS OF THEIR CORRECTION.

The authors analyzed complications in peroral endoscopic myotomy in case of esophageal achalasia in 27 patients. There were noted hypercapnia, carboxyperitoneum, hemorrhage, perforation of mucous coat of esophagus. These complications were suppressed during endoscopic manipulations.

Regulation of lipid peroxidation in the retina under the effect of bright light.

Changes in LPO intensity under the effect of exposure to bright light and the possibility of their correction with antioxidants were studied on rabbits with diabetic retinopathy. It was found that enhanced LPO caused by exposure to bright light in rabbits with diabetic retinopathy can be corrected with antioxidants. Phenosan potassium salt, α-tocopherol, and oxypyridine were more effective than SOD and taurine in preventing MDA accumulation.

Possibilities of regulating disorders in functional activity of the retina with antioxidants under conditions of high-intensity light exposure.

We studied the effects of natural (α-tocopherol and SOD) and synthetic (potassium phenosane and hydroxypyridine) antioxidants on the recovery of disordered parameters of the electroretinogram under conditions of high-intensity light exposure. Potassium phenosane and tocopherol acetate more effectively normalized parameters of electroretinogram in monotherapy. The use of a complex of antioxidants completely prevented the disorders in the electroretinogram parameters in retinopathy after exposure to intense light.

[Molecular genetic analysis of malaria mosquitoes of the Anopheles maculipennis (Diptera, Culicidae) complex in Azerbaijan].

Molecular genetic analysis of malaria vectors in the Republic of Azerbaijan has identified three species of malaria mosquitoes of the Anopheles maculipennis complex: An. maculipennis, An. sacharovi, and An.

Optimizing depth resolution in confocal Raman microscopy: a comparison of metallurgical, dry corrected, and oil immersion objectives.

Spherical aberration is probably the most important factor limiting the practical performance of a confocal Raman microscope. This paper suggests some simple samples that can be readily fabricated in any laboratory to test the performance of a confocal Raman microscope under realistic operating conditions (i.e.

Local environment and dynamics of PO4 tetrahedra in Na-Al-PO3 glasses and melts.

Glasses and melts in the system (NaPO3)(1-x)(Al(PO3)3)x were studied with the aim of obtaining information about the structure on the next larger scale beyond the PO4 group. Magic angle spinning NMR was applied to the pure NaPO3 glass and Raman scattering to systems with x = 0.00, 0.

Novel mesoporous mixed Nb-M (M = V, Mo, and Sb) oxides for oxidative dehydrogenation of propane.

Novel thermally stable mesoporous mixed metal Nb-M (M = V, Mo and Sb) oxides were synthesized in the presence of a nonionic Pluronic P123 surfactant. These oxides displayed promising pore structures and chemical compositions for selective oxidative functionalization of propane: high surface areas (up to 200 m2/g), large pore sizes (5-14 nm), and high pore volumes (up to 0.46 cm3/g).

The ESR signals in silk fibroin and wool keratin under both the effect of UV-irradiation and without any external effects and the formation of free radicals.

ESR studies have been done on natural and UV-irradiated silk fibroins and wool keratins at the temperature range of -196 degrees C to 20 C. The intensities of ESR signals obtained from the irradiated samples at -196 C remarkably increase with respect to those of natural samples. While the signals mainly consist of triplet peaks at -196 C.

[The etiology of El Tor cholera].

Vibrio cholerae eltor has been shown to exist in two variants: epidemic (V. cholerae eltor Hly-, tox+) and nonepidemic, or endemic (V. cholerae eltor Hly+, tox-); each of these variants determines the corresponding form of manifestation of the infection among the population and requires a differentiated complex of antiepidemic measures, as well as different tactics for the treatment of patients.

[The characteristics of a cholera outbreak in Pushkino District, the Azerbaijan SSR].

The outbreak of cholera in the Pushkino District of the Azerbaijan SSR, caused by the penetration of Vibrio cholerae into the water of the irrigation system, is described. Altogether 2 cholera patients and 39 Vibrio carriers were detected. The etiological agent of this infection was V.