The Perils of Molecular Interpretations from Vibrational Spectra of Complex Samples.

Vibrational spectroscopy is a widely used technique for chemical characterizations across various analytical sciences. Its applications are increasingly extending to the analysis of complex samples such as biofluids, providing high-throughput molecular profiling. While powerful, the technique suffers from an inherent limitation: The overlap of absorption information across different spectral domains hinders the capacity to identify individual molecular substances contributing to measured signals.

Plasma infrared fingerprinting with machine learning enables single-measurement multi-phenotype health screening.

Infrared spectroscopy is a powerful technique for probing the molecular profiles of complex biofluids, offering a promising avenue for high-throughput in vitro diagnostics. While several studies showcased its potential in detecting health conditions, a large-scale analysis of a naturally heterogeneous potential patient population has not been attempted. Using a population-based cohort, here we analyze 5,184 blood plasma samples from 3,169 individuals using Fourier transform infrared (FTIR) spectroscopy.

Probing Blood Plasma Protein Glycosylation with Infrared Spectroscopy.

The health state of an individual is closely linked to the glycosylation patterns of his or her blood plasma proteins. However, obtaining this information requires cost- and time-efficient analytical methods. We put forward infrared spectroscopy, which allows label-free analysis of protein glycosylation but so far has only been applied to analysis of individual proteins.

Infrared molecular fingerprinting of blood-based liquid biopsies for the detection of cancer.

Recent omics analyses of human biofluids provide opportunities to probe selected species of biomolecules for disease diagnostics. Fourier-transform infrared (FTIR) spectroscopy investigates the full repertoire of molecular species within a sample at once. Here, we present a multi-institutional study in which we analysed infrared fingerprints of plasma and serum samples from 1639 individuals with different solid tumours and carefully matched symptomatic and non-symptomatic reference individuals.

Molecular Origin of Blood-Based Infrared Spectroscopic Fingerprints*.

Infrared spectroscopy of liquid biopsies is a time- and cost-effective approach that may advance biomedical diagnostics. However, the molecular nature of disease-related changes of infrared molecular fingerprints (IMFs) remains poorly understood, impeding the method's applicability. Here we probe 148 human blood sera and reveal the origin of the variations in their IMFs.

On the mechanism of effectively chiral-pure macromolecular spiralization induced by a weakly chiral polarized heterochiral solution of a chiral compound.

There has been made an assumption, correlating with experimental data, that the phenomenon of effectively chiral-pure, chiral-induced spiralization of macromolecules in weakly polarized heterochiral solutions is determined by the mechanism of physico-chemical annihilation: enantiomers-antipodes of a chiral compound in a heterochiral solution annihilate; that is, they form achiral dimers, the solution becomes effectively homochiral and further, chiral-induced macromolecular spiralization of one sign of helicity is realized in it in the same way as in other homochiral solutions.

Stability of person-specific blood-based infrared molecular fingerprints opens up prospects for health monitoring.

Health state transitions are reflected in characteristic changes in the molecular composition of biofluids. Detecting these changes in parallel, across a broad spectrum of molecular species, could contribute to the detection of abnormal physiologies. Fingerprinting of biofluids by infrared vibrational spectroscopy offers that capacity.

[Care path for non-deferred elective hospitalizations in cardiology in the Covid-19 period].

Unlabelled: . Care path for non-deferred elective hospitalizations in cardiology in the Covid-19 period.

Introduction: The novel coronavirus-19 (Covid-19) has rapidly resulted in a global pandemic.

[Indicators of the left ventricular-arterial coupling interaction in chronic forms of ischemic heart disease: relationships of the protradenomedullin and N-terminal probrain natriuretic peptide].

Purpose Of The Study: Analyze the parameters of the interaction between the left ventricle and the arterial system in patients with chronic forms of coronary heart disease and to identify relationships with levels of proadrenomedullin (MR‑proADM) and N‑terminal precursor of the brain natriuretic peptide B (NT‑proBNP).

Materials And Methods: 240 patients with chronic forms of coronary heart disease (median - 55,9 [43; 63] years) and Q‑forming myocardial infarction in the past were examined. Of these, 110 patients with myocardial infarction and preserved lef ventricular ejection fraction and 130 patients with ischemic cardiomyopathy.

[Fractalkine level in chronic heart failure of varying severity].

Unlabelled: Purpose of research. To examine the level changes of fractalkine in patients with chronic heart failure (CHF) depending on the ejection fraction of the left ventricle and the stage of the disease.

Materials And Methods: In total 340 people were examined.

[Association of polymorphism 4a/4b and 4b/4b in endothelial nitric oxide synthase gene and markers of endothelial dysfunction in patients with chronic heart failure].

Aim: To examine the association of polymorphism 4a/4b and 4b/4b in endothelial nitric oxide synthase gene (eNOS) with levels of natriuretic peptide type-C, endothelin-1 and vasoregulative endothelial function in patients with chronic heart failure (CHF) depending on the ejection fraction of the left ventricle.

Materials And Methods: The study has included 280 patients with CHF of ischemic etiology and 60 somatically healthy individuals. A comprehensive assessment of the markers of the vascular endothelium function was carried out for all patients (endothelial function coefficient, natriuretic peptide type-C, endothelin-1) in association of polymorphism 4a/4b and 4b/4b gene of eNOS.

Can Mutational Analysis Be Used To Assist Structure Determination of Peptides?

Mutational analysis is widely used to study the relationship between sequence and structure of proteins and peptides. It is often assumed that substituting a proline with another amino acid "locks" the peptide bond in the trans conformation, allowing only a subset of the initial molecular geometries to be observed. To test this assumption, we assess the result of substituting two prolines in the bradykinin sequence with alanine using field-asymmetric ion mobility spectrometry combined with cryogenic ion spectroscopy in the gas phase.

Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase.

The dynamic nature of intrinsically disordered peptides makes them a challenge to characterize by solution-phase techniques. In order to gain insight into the relation between the disordered state and the environment, we explore the conformational space of the N-terminal 1-5 fragment of bradykinin (BK[1-5](2+)) in the gas phase by combining drift tube ion mobility, cold-ion spectroscopy, and first-principles simulations. The ion-mobility distribution of BK[1-5](2+) consists of two well-separated peaks.

[Normative legal aspects of health-resort treatment organization for military servicemen of the Armed Forces].

Normative legal aspects of health- resort treatment organisation for military servicemen oft he Armed Forces. The authors of the article gave an analysis of the main normative documents, regulating organization of health-resort treatment in the Russian Federation and the Armed Forces, and determining selection procedure, referral to health-resort institutions, indications and contraindications to health-resort treatment. The authors defined probable ways of improvement of normative legal regulation of health-resort treatment for military servicemen.

Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin.

Understanding the relation between the gas-phase structure of biological molecules and their solution-phase structure is important when attempting to use gas-phase techniques to address biologically relevant questions. Directly after electrospray ionization, molecules can be kinetically trapped in a state that retains some "memory" of its conformation in solution and is separated from the lowest-energy gas-phase structure by barriers on the potential energy surface. In order to identify and characterize kinetically trapped structures, we have explored the conformational space of triply protonated bradykinin in the gas phase by combining field-asymmetric ion mobility spectrometry (FAIMS) with cold ion spectroscopy.

[The comparative characteristic of immune status of males with bacterial inflammatory urogenital pathology of different etiology in the city of Orenburg].

The article discusses presence of typical characteristics of parameters of system immunity under gonococcal and nonspecific uretroprostatitis and diagnostic value of these indicators. The reliable differences of immunologic indicators in patients with gonorrhea are established as compared to patients with nonspecific bacterial uretroprostatitis. The study established in peripheral blood the reliable decrease of level of leukocytes, relative amount of monocytes, phagocyte index, functional reserve of leukocytes at the expense of spontaneous and stimulated NBT test, IgA, sIgA.

[Endothelium-dependent and endothelium-independent vasodilation in patients with chronic prostatitis].

Using laser Doppler flowmetry, basal blood flow in patients with chronic prostatitis was evaluated. 90 men with chronic prostatitis and 30 healthy men of reproductive age underwent examination. For the assessment of endothelial vasomotor function, ionophoretic tests with 5% acetylcholine and 5% sodium nitroprusside were performed.

[Risk factors for violations of the fertility in men living in urban areas].

The immunocytokine status of the reproductive tract was evaluated in men with different forms of gonorrhea, who lived in the urbanized areas of the Orenburg Region. The typical form of gonorrhea, which is a risk for infertility, is accompanied by the reduced levels of lysozyme and IL-10 and the increase content of lactoferrin and proinflammatory cytokines, such as IL-1, Ibeta-6, and IL-8 in the ejaculate.

[Effect of chronic social stress on lipid metabolism in golden Syrian hamsters].

The changes of total lipids, lipoproteins and their fractions, free fatty acids, triacylglyceroles, free and esterified cholesterol levels and parameters of its metabolism in the blood serum and liver, glucose-6-phosphate dehydrogenase and lysosomal lipase activity in the liver, and also post-heparin lipases activity in blood of hamsters with chronic social stress are investigated. Is has been shown, that in stressed animals the prevalence in early terms of chronic stress lipolysis above lipogenesis is observed. In later terms of chronic stress the lipogenesis activation is also observed which, alongside with active lipolysis, can cause hyperlipidemia in blood.

[Antioxidative status changes in golden syrian hamsters with experimental metabolic syndrome].

Some indices of the antioxidant status (content of the alpha-tocopherol, reduced glutathione and ascorbic acid, activity of the glutathione reductase and aryl-esterase) and lipid peroxidation processes in the liver, blood serum, and some blood serum lipoprotein fractions of the Golden Syrian hamsters of different sex and age status under high-caloric diet were investigated. It has been shown that the hypercaloric diet leads to a decreaseng of reduced glutathione content and increase of the level of lipid peroxidation products in the liver of experimental animals. The ascorbic acids content in male liver is decreased and in female liver is increased.

[Characteristics of associated microflora of ejaculate from males with gonococcal infections].

Species composition and biological properties of aerobic and anaerobic microflora from an ejaculate from males with acute and chronic gonococcal infection and from healthy men were studied. Patients with gonococcal infection were shown to present quantitative and qualitative changes in microbiocenosis of the reproductive tract. Patients with acute gonorrhea displayed decreased species diversity in contrast to healthy persons, while different species of associated with gonococci microbes with high persistent potential, were cultured in patients suffering from a chronic form of infection.

[The antilysozyme activity of the causative agent in the diagnosis and prognosis of the course of gonococcal infection].

Differences in the frequency and level of antilysozyme activity in Neisseria gonorrhoeae cultures isolated from patients with different forms and stages of gonococcal infection were revealed. The possibility of using the antilysozyme sign of N. gonorrhoeae for the differential diagnostics of the clinical forms of this infection and for prognosticating the chronization of the inflammatory process in newly infected patients and in cases of relapses in chronic gonorrhea patients.

[The suppressive action of a magnetic-laser ray and of an electrolytic solution of sodium hypochlorite on the factors of causative agent persistence].

The suppressive action of a magnet-laser ray and electrolyzed sodium hypochlorite solution on the persistence factors (antilysozyme, "anti-interferon") of Staphylococcus aureus and Neisseria gonorrhoeae is shown. The optimum conditions (time, dose, concentration) for the regulation of the persistence properties of the pathogens has been determined. The use of physicochemical factors in the proposed parameters has been shown to be effective for the therapy of purulent inflammatory diseases and the sanitation of S.

[Iron metabolism in anemia patients with no deficiency of iron reserves].

Iron metabolism was studied in anemia patients with no iron deficiency. The data obtained have suggested that iron transport to blood-synthesizing cells i disturbed in such patients with normal iron reserves. Basing on the study of iron metabolism and red blood parameters in the patients after the treatment by hypoxic hypoxia it is shown that this method combined with iron therapy can be successfully used for the treatment of this form of iron deficiency anemia.