Low Temperature Physics最新文献

{"title":"PMMA and PVP blended nanofibers with incorporated antimicrobial agent: Spectroscopy and mass spectrometry characterization","authors":"A. M. Plokhotnichenko, V. A. Karachevtsev, V. A. Pashynska, P. O. Kuzema","doi":"10.1063/10.0024959","DOIUrl":"https://doi.org/10.1063/10.0024959","url":null,"abstract":"Electrospun polymeric nanofibers incorporated with some medicines or biologically active nanoparticles have a huge range of various applications in biomedical fields such as wound dressing, drug delivery, and tissue engineering. Blending several polymers with different properties allows one to obtain a new material with improved physicochemical and mechanical characteristics, as well as to control the incorporation and release of medical agents, including antimicrobial, antifungal, and other substances. In this work, a novel approach to prepare a blend of two polymers [polyvinylpyrrolidone (PVP) and polymethyl methacrylate (PMMA)] to produce biocompatible nanofibers with incorporated antibacterial agents — phenylalanine or silver nanoparticles is proposed. The diameter of the obtained nanofibers is in the range of 2–4 μm. Antimicrobial agents are incorporated in PVP in an aqueous solution, then the prepared adduct is dried and mixed with PMMA in an organic solvent. In this nanofiber mat, PMMA provides the mechanical strength of the mat and assists in the gradual release of the antimicrobial agents. The formation of the PVP:PMMA nanofibers with incorporated antimicrobial agents at different stages was monitored by spectroscopy. The release of antimicrobial agents from the nanofibers mat during wetting was studied and confirmed by spectroscopy and mass spectrometry investigations.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"1 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"ZnO sensitization by polymethine dye in photoelectrochemical cells for solar energy conversion","authors":"S. S. Fomanyuk, A. A. Ishchenko, M. A. Kudinova, I. A. Rusetskyi, M. O. Danilov, E. V. Gubareni, G. I. Dovbeshko, V. O. Smilyk, G. Ya. Kolbasov","doi":"10.1063/10.0024973","DOIUrl":"https://doi.org/10.1063/10.0024973","url":null,"abstract":"By sintering ZnO powder mixed with ethylene glycol, electrodes on a glass substrate with a conductive SnO2 layer were obtained. In parallel, Ti/TiO2 electrodes were obtained by anodizing a titanium foil. Electrodes based on ZnO and TiO2 were sensitized to visible light with a cationic polymethine dye. The analysis of the photoelectrochemical characteristics of the obtained electrodes showed that the dye-sensitized ZnO films in the wavelength range of 450–650 nm have a photocurrent quantum yield two-fold higher compared with TiO2. In this way, a hybrid dye-ZnO structure sensitive to visible light was formed, which can be used for the photoelectrochemical cells for solar energy conversion, as well as for the detection of DNA and proteins in biological sensors.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"71 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biochemical features of glycolysis in cancer cells with different metastatic potential","authors":"Solomia Hnatiuk, Denys Kolesnyk, Galina Solyanik","doi":"10.1063/10.0024974","DOIUrl":"https://doi.org/10.1063/10.0024974","url":null,"abstract":"It is known that, compared with normal cells, cancer cells are characterized by an intensification of glycolysis and an increase in glucose uptake to ensure high proliferative activity. Meanwhile, the question of the relationship between the intensity of glycolysis and the metastatic potential of tumor cells remains open. The aim of the study was to determine the rate of glucose uptake (GCR) and lactate production (LPR) by Lewis lung carcinoma cells with high (LLC) and low metastatic potential (LLC/R9) during 1-day growth in vitro under standard incubation conditions. The results showed that glycolysis intensity was significantly higher in low-metastatic Lewis lung carcinoma cells compared to the high-metastatic cells.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"129 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"War-derived air pollution nanohybrids and their membrane-active properties","authors":"Galyna Dovbeshko, Tatiana Borisova","doi":"10.1063/10.0024966","DOIUrl":"https://doi.org/10.1063/10.0024966","url":null,"abstract":"Hostilities are accompanied by extremely enhanced air pollution with particulate matter (PM) which was exactly shown in Ukraine, where increased PM2.5 (the size less than 2.5 μm) correlated with war activities [R. Zalakeviciute et al., Sustainability 14(21), 13832 (2022)]. Drastic increases in PM2.5 pollution from bombing and structural fires raise additional health concerns. Also, the widest spread of war-associated metal pollutants are copper and iron [Metal Pollutants Associated with War <https://ecopolitic.com.ua> (2023, November)] which are neurotoxic [B. Tarnacka et al., Int. J. Mol. Sci. 22(15), 7820 (2021)]. Calculations have revealed that Ukrainian regions are highly contaminated with copper and iron that in turn become bioavailable. Neurological disorders are the most common cause of disability/death and their increase is linked to air pollution with PM, which targets the nervous system triggering the development of neuropathology as shown in the epidemiological data of the Lancet Commission [P. J. Landrigan et al., Lancet 391, 462 (2018)]. Airborne PM can travel across state boundaries, oceans, and continents, and so disperses globally causing hazards to human health not only in Ukraine but also worldwide. Our hypothesis [T. Borisova, N. Krisanova, O. Gnatiuk, V. Boyko, and G. Dovbeshko, Project “War-derived air pollution nanohybrids composed of carbon-containing smoke nanoparticles and metal compounds: FTIR/Raman spectroscopic, fluorescent and membrane-active properties, their potential neurotoxicity and its prevention”, PAN.BFB.S.BWZ.380.022.2023] is that the neurotoxic potential of abandoned war-associated carbonaceous smoke nanoparticles can be significantly enhanced by copper and iron compounds during their combined release to the environment during bombing and fires. Moreover, they can form nanohybrids during interaction in the environment. This hypothesis is based on our recent experimental data regarding neurotoxic features of smoke PM from wood and plastics and their capability to interact with other pollutants [A. Borysov et al., Environ. Pollut. 263, 114502 (2020), A. Pastukhov et al., Sci. Rep. 13, 17771 (2023), T. Borisova, Environmental Nanoparticles: Focus on Multipollutant Strategy for Environmental Quality and Health Risk Estimations, Chapter in: Biomedical Nanomaterials, R. S. Stoika (ed.) (2021), pp. 305–321, T. Borisova and S. Komisarenko Environ Sci. Pollut. Res. 28(30), 40371 (2021)]. It is an urgent necessity to analyze the molecular structure and membrane-active properties of war-derived polluted nanohybrids composed of carbonaceous smoke nanoparticles, copper, and iron; to assess their potential neurotoxicity and to find a way of neuroprotection. Knowledge about the capability of different war-derived PM to form environmental nanohybrids with war-associated pollutant copper and iron, and their spectroscopic, fluorescent, and membrane-active features can be applicable in environmental monitoring. P","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"71 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"IR and Raman markers of the interactions between MoS2 and pyrimidine bases","authors":"T. Piddubnyi, S. Stepanian, V. Karachevtsev, L. Adamowicz","doi":"10.1063/10.0024968","DOIUrl":"https://doi.org/10.1063/10.0024968","url":null,"abstract":"Changes in vibrational spectra are among the most important manifestations of the interaction between transition metal dichalcogenides and nucleic acid bases (NAB). Infrared and Raman spectra were calculated using the DFT/M06-2X method for the most stable stacked and covalently bonded complexes of pyrimidine bases with MoS2. Obtained spectra were analyzed to determine the spectral markers of the interactions between the pyrimidine bases and MoS2. We found that interaction with MoS2 leads to significant changes in both frequencies and intensities of NAB vibrations. The correlation between the changes and interaction energies of the NAB molecules with MoS2 was demonstrated. In general, changes in the vibrational frequencies in complexes with covalent bonds are significantly greater than ones in stacked ones. For the bonded complexes, the most significant changes are observed for those fragments of the NAB molecules that are directly involved in the formation of the covalent bonds. Calculations predict the decrease of the IR intensity and Raman activities of the NAB molecules in the spectra of stacked complexes and their increase in the spectra of covalently bonded complexes.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"14 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Which molecules can challenge density-functional tight-binding methods in evaluating the energies of conformers? investigation with machine-learning toolset","authors":"Andrii Terets, Tymofii Nikolaienko","doi":"10.1063/10.0024962","DOIUrl":"https://doi.org/10.1063/10.0024962","url":null,"abstract":"Large organic molecules and biomolecules can adopt multiple conformations, with the occurrences determined by their relative energies. Identifying the energetically most favorable conformations is crucial, especially when interpreting spectroscopic experiments conducted under cryogenic conditions. When the effects of irregular surrounding medium, such as noble gas matrices, on the vibrational properties of molecules become important, semi-empirical (SE) quantum-chemical methods are often employed for computational simulations. Although SE methods are computationally more efficient than first-principle quantum-chemical methods, they can be inaccurate in determining the energies of conformers in some molecules while displaying good accuracy in others. In this study, we employ a combination of advanced machine learning techniques, such as graph neural networks, to identify molecules with the highest errors in the relative energies of conformers computed by the semi-empirical tight-binding method GFN1-xTB. The performance of three different machine learning models is assessed by comparing their predicted errors with the actual errors in conformer energies obtained via the GFN1-xTB method. We further applied the ensemble machine-learning model to a larger collection of molecules from the ChEMBL database and identified a set of molecules as being challenging for the GFN1-xTB method. These molecules hold potential for further improvement of the GFN1-xTB method, showcasing the capability of machine learning models in identifying molecules that can challenge its physical model.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"64 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The interactions of antiviral drugs and a phosphonium fluorescent dye with proteins as revealed by a multiple ligand simultaneous docking","authors":"O. A. Zhytniakivska, U. K. Tarabara, K. O. Vus, V. M. Trusova, G. P. Gorbenko","doi":"10.1063/10.0024961","DOIUrl":"https://doi.org/10.1063/10.0024961","url":null,"abstract":"In the present study, the multiple ligands simultaneous docking technique was employed to explore the feasibility of developing the protein-based nanocarriers in which the therapeutic agents (antiviral drugs) will be combined with a visualizing agent (the phosphonium dye TDV). By varying both the protein (serum albumin, lyso-zyme, cytochrome c, insulin) and antiviral agent (favipiravir, molnupiravir, nirmatrelvir, ritonavir) components of the examined complexes it was demonstrated that in the albumin- and cytochrome c-containing systems the TDV and antiviral dyes occupy distinct binding sites on the protein molecule, exhibiting no interference with each other. It was found that the TDV propensity to reside within the same insulin cavity as the antiviral agent might hinder the drug’s release from the nanocarrier. Our results indicate that the most promising energetically stable protein-drug-TDV systems for developing protein-based nanocarriers with the examined antiviral drugs can be created on a basis of serum albumin.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"13 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140316630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Clusteroluminogenic polymers: Applications in biology and medicine (Review article)","authors":"Tamara Sakhno, Dmytro Ivashchenko, Anatolii Semenov, Olena Ivashchenko, Yuriy Sakhno","doi":"10.1063/10.0024970","DOIUrl":"https://doi.org/10.1063/10.0024970","url":null,"abstract":"The current state of research on unconventional luminescence of nonconjugated polymers, which arises as a result of spatial conjugation due to the overlapping of electronic orbitals of atoms in aggregates formed at high concentrations of substances in solutions or in the solid state, is considered. The manifold applications of clusteroluminogenic polymers in the realms of biology and medicine take center stage. This includes the utilization of clusteroluminescence for monitoring and visualizing dynamic reactions, exploring pathways in biomedical research and targeted drug delivery, facilitating real-time monitoring, as well as imaging and tracking. The emphasis is placed on their pivotal role in combination therapy and theranostics.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"87 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unusual bending patterns of spermidine3+ bound to DNA double helix","authors":"Sergiy Perepelytsya, Tudor Vasiliu, Aatto Laaksonen, Leon De Villiers Engelbrecht, Francesca Mocci","doi":"10.1063/10.0024969","DOIUrl":"https://doi.org/10.1063/10.0024969","url":null,"abstract":"Natural polyamines play a fundamental role in the cell cycle. Despite being recognized as the most abundant organic counterions of DNA in the cell nucleus, their interactions with DNA have not been fully characterized. In a recent work [S. Perepelytsya, T. Vasiliu, A. Laaksonen, L. Engelbrecht, G. Brancato, and F. Mocci, J. Molec. Liq.389, 122828 (2023)], we have shown how the interactions between spermidine3+ and the DNA double helix induce significant conformational variations in the polyamine molecule. Specifically, we found that DNA induces conformations that are not observed in solution. Following that study, we present here a detailed investigation of the most compact conformation of the polyamine, analyzing its connection to the interaction with the DNA duplex. The analysis reveals that anomalous bent conformations of the spermidine3+ molecule result from the interaction of all three amino groups of the polyamine with the DNA phosphate groups on the minor groove side of the double helix. The changes in dihedral angles of the bent spermidine3+ molecule can be explained in terms of conformational transformations of six- and seven-membered rings, analogous to cyclohexane and cycloheptane. The analysis of the position of spermidine3+ molecule along the DNA surface reveals a sequence specificity of this binding mode with a marked preference for the narrow minor groove of A-tracts. The formation of the anomalous bent conformations of spermidine3+ in the complex with the DNA double helix is expected to be of paramount importance in understanding the mechanisms underlying DNA’s biological function.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"55 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140315639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dissociation of composite Abrikosov vortices in two-band superconductors in a strong rf field","authors":"A. O. Pokusinskyi, A. L. Kasatkin","doi":"10.1063/10.0024321","DOIUrl":"https://doi.org/10.1063/10.0024321","url":null,"abstract":"In several theoretical works, it was argued that under certain conditions Abrikosov vortices in multiband superconductors can split and exist in the form of fractional vortices, formed separately in superfluid condensates of different electron bands. Such vortices possess a fractional flux quantum, and these fractional vortices attract each other, trying to join into a composite vortex with the whole flux quantum ϕ0=h/2e. In the present work, we solve numerically the nonlinear dynamic equation for the composite vortex, settled in the pinning potential well of the columnar defect within a two-band superconductor, and exerted the rf Lorentz force action. We demonstrate that at high enough rf current amplitudes such composite Abrikosov vortices will dissociate into fractional ones and escape from the pinning potential well. The sequence of these events depends on the character of the pinning potential well, e.g., the radius of the pinning potential well. The possible manifestation of such kind transitions in rf electrodynamic characteristics, such as a complex rf resistivity and harmonics generation is calculated.","PeriodicalId":18077,"journal":{"name":"Low Temperature Physics","volume":"4 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139945922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}