Environmentally Benign Oxidation of Alkylphenols to p-Benzoquinones: A Comparative Study of Various Ti-Containing Catalysts

Catalytic properties of Ti-containing porous solids were compared in the oxidation of 2,3,6-trimethylphenol (TMP) with H₂O₂ to produce 2,3,5-trimethyl-1,4-benzoquinone (TMBQ, vitamin E key intermediate). Mesoporous titanium–silicates with di(oligo)nuclear Ti centers, metal–organic framework MIL-125 and amorphous TiO₂ demonstrated 100 % selectivity toward TMBQ. Titanium–silicates prepared by evaporation-induced self-assembly revealed superior performance in terms of product yield and catalyst reusability.     

In Silico Study of piRNA Interactions with the SARS-CoV-2 Genome

A prolonged pandemic with numerous human casualties requires a rapid search for means to control the various strains of SARS-CoV-2. Since only part of the human population is affected by coronaviruses, there are probably endogenous compounds preventing the spread of these viral pathogens. It has been shown that piRNA (PIWI-interacting RNAs) interact with the mRNA of human genes and can block protein synthesis at the stage of translation. Estimated the effects of piRNA on SARS-CoV-2 genomic RNA (gRNA) in silico. A cluster of 13 piRNA binding sites (BS) in the SARS-CoV-2 gRNA region encoding the oligopeptide was identified. The second cluster of BSs 39 piRNAs also encodes the oligopeptide. The third cluster of 24 piRNA BS encodes the oligopeptide. Twelve piRNAs were identified that strongly interact with the gRNA. Based on the identified functionally important endogenous piRNAs, synthetic piRNAs (spiRNAs) are proposed that will suppress the multiplication of the coronavirus even more strongly. These spiRNAs and selected endogenous piRNAs have little effect on human 17494 protein-coding genes, indicating a low probability of side effects. The piRNA and spiRNA selection methodology created for the control of SARS-CoV-2 ({"type":"entrez-nucleotide","attrs":{"text":"NC_045512.2","term_id":"1798174254","term_text":"NC_045512.2"}}NC_045512.2) can be used to control all strains of SARS-CoV-2.     

Identification of a Novel de Novo Variant in the CASZ1 Causing a Rare Type of Dilated Cardiomyopathy

A new de novo frameshift variant has been identified in the CASZ1 gene leading to severe dilated cardiomyopathy. Methods: The proband was analyzed with WES NGS, post-mortem, using dried blood spots on filters. The variant was verified with Sanger sequencing for the proband and her parents. Results: We reported a proband with a new de novo frameshift mutation, c.3781del (p.(Trp1261GlyfsTer29)), in the CASZ1 gene. The clinical presentation was similar to the severe phenotype described in previous studies. Conclusions: In this study, we described a new case with a frameshift mutation in CASZ1 causing a severe phenotype of dilated cardiomyopathy.     

Folding of chains with random and edited sequences: similarities and differences

We have investigated the process of protein folding by Monte-Carlosimulation of folding occurring in a simple 3D lattice modelof a protein globule. We have found the range of ‘optimal’temperatures where the native fold is achieved by the Monte-Carloprocess much faster than that by exhaustive sorting of all thechain folds. The ‘optimal’ temperatures are essentiallythe same for different random and lsquo;edited’ sequences(for the latter, the native fold energy is separated by a considerablegap from the energies of other low-energy folds; for randomsequences, this gap is negligible). At the ‘optimal’temperatures, the ‘edited’ chains attain their nativefold faster than the random ones. However, the essence is thatthe native folds of ‘edited’ chains are thermodynamicallystable at temperatures optimal for fast folding, while the nativefolds of random chains are unstable at the temperatures optimalfor fast folding; also, at low temperatures where the nativefolds of random chains are stable, folding kinetics is veryslow. Consequently, stable native folds are formed slowly byrandom sequences and rapidly by the ‘edited’ ones     

Detoxication of water containing 1,1-dimethylhydrazine by catalytic oxidation with dioxygen and hydrogen peroxide over Cu- and Fe-containing catalysts

A number of Cu- and Fe-hydroxide containing catalysts, supported on oxide carriers, were prepared to provide the removal of 1,1-dimethylhydrazine from aqueous solutions via its oxidation by hydrogen peroxide and air oxygen. The Cu-containing samples as well as Fe/ZSM-5 are the most active catalysts in this reaction. The reaction products were analyzed by gas chromatography and UV–Vis spectroscopy. The effect of nature of the oxidizer and catalyst, pH and temperature on both the reaction rate and product composition was studied.     

Improvement of strength and conductivity in Cu-alloys with the application of high pressure torsion and subsequent heat-treatments

Quenched and slowly cooled (annealed) Cu–0.7 %Cr, Cu–0.9 %Hf, and Cu–0.7 %Cr–0.9 %Hf alloys were processed by high pressure torsion (HPT). The microstructures of the alloys were studied immediately after HPT and subsequent annealing. It has been shown that the microhardness and the thermal stability of the severely deformed microstructure increase, while the average grain size decreases in the order of Cu–0.7 %Cr, Cu–0.9 %Hf, and Cu–0.7 %Cr–0.9 %Hf alloys. The microhardness in all alloys is higher after quenching and HPT, than after annealing and HPT. The largest dislocation density is achieved by quenching and HPT in Hf-containing samples. Cu₅Hf phase precipitations in Hf-containing alloys are more effective in retarding grain growth in comparison with Cr particles and lead to additional hardening during aging. It has been demonstrated that HPT-processing with subsequent heat-treatment might yield the combination of large hardness and high electrical conductivity in Cu alloys.     

Experimental immunotherapy of mice with transplanted MC-rhabdomyosarcoma resistant to doxorubicin

AIM: To compare the sensitivity of doxorubicin (DOX) sensitive and DOX-resistant MC-rhabdomyosarcoma (MC-RMS) cells to the action of lymphokine-activated cells (LAC). RESULTS: In vitro investigations showed that LAC received from the fraction of adherent lymphocytes possess the highest activity against DOX-resistant tumor cells, and LAC from lymphocytes of total pool--against DOX-resistant tumor cells pretreated with DOX at a low dose. Adoptive immunotherapy of MC-RMS in vivo showed the highest efficacy in the cases of LAC intratumoral injection and the one combined with intraperitoneal administration of DOX at a low dose (increase of survival time by 14% and 25%, respectively). CONCLUSION: Adoptive in vivo therapy of DOX-resistant Mh-RMS is effective if LAC or their combination with DOX at a low dose are administered.     

Trends in Chemometrics: Food Authentication,Microbiology, and Effects of Processing

In the last decade, the use of multivariate statistical techniques developed for analytical chemistry has been adopted widely in food science and technology. Usually, chemometrics is applied when there is a large and complex dataset, in terms of sample numbers, types, and responses. The results are used for authentication of geographical origin, farming systems, or even to trace adulteration of high value‐added commodities. In this article, we provide an extensive practical and pragmatic overview on the use of the main chemometrics tools in food science studies, focusing on the effects of process variables on chemical composition and on the authentication of foods based on chemical markers. Pattern recognition methods, such as principal component analysis and cluster analysis, have been used to associate the level of bioactive components with in vitro functional properties, although supervised multivariate statistical methods have been used for authentication purposes. Overall, chemometrics is a useful aid when extensive, multiple, and complex real‐life problems need to be addressed in a multifactorial and holistic context. Undoubtedly, chemometrics should be used by governmental bodies and industries that need to monitor the quality of foods, raw materials, and processes when high‐dimensional data are available. We have focused on practical examples and listed the pros and cons of the most used chemometric tools to help the user choose the most appropriate statistical approach for analysis of complex and multivariate data.     

Artificial Intelligence in Medicine: Real Time Electronic Stethoscope for Heart Diseases Detection

Diseases of the cardiovascular system are one of the major causes of death worldwide. These diseases could be quickly detected by changes in the sound created by the action of the heart. This dynamic auscultations need extensive professional knowledge and emphasis on listening skills. There is also an unmet requirement for a compact cardiac condition early warning device. In this paper, we propose a prototype of a digital stethoscopic system for the diagnosis of cardiac abnormalities in real time using machine learning methods. This system consists of three subsystems that interact with each other (1) a portable digital subsystem of an electronic stethoscope, (2) a decision-making subsystem, and (3) a subsystem for displaying and visualizing the results in an understandable form. The electronic stethoscope captures the patient’s phonocardiographic sounds, filters and digitizes them, and then sends the resulting phonocardiographic sounds to the decision-making system. The decision-making system classifies sounds into normal and abnormal using machine learning techniques, and as a result identifies abnormal heart sounds. The display and visualization subsystem demonstrates the results obtained in an understandable way not only for medical staff, but also for patients and recommends further actions to patients. As a result of the study, we obtained an electronic stethoscope that can diagnose cardiac abnormalities with an accuracy of more than 90%. More accurately, the proposed stethoscope can identify normal heart sounds with 93.5% accuracy, abnormal heart sounds with 93.25% accuracy. Moreover, speed is the key benefit of the proposed stethoscope as 15 s is adequate for examination.