Structural State Research Articles

Electron microscopy method in assessing the quality of cell cryopreservation

During its existence, electron microscopy has become one of the reference methods for assessing the structural and functional state of cells, tissues and organs, and an extensive evidence base has been formed that allows its use in the creation and formation of a biobank. The selection of sources for the literature review was carried out using keywords based on publications over the past 20 years. The publications presented in the review were selected by searching the eLIBRARY.RU, PubMed and Scopus databases. Based on foreign and domestic experience in the work of biobanks, we can distinguish four areas that determine the effectiveness of the use of electron microscopy studies as a component of its work. Firstly, it is control of microbiological contamination of a biological sample. The effectiveness of electron microscopy in detecting contamination of a biological sample with bacteria, fungi and viruses is comparable to the effectiveness of classical microbiological techniques. Secondly, it is a diagnostic tool that allows you to identify or confirm the presence in a sample of a pathogenetic process that is of interest for biobanking: tumor growth, atherosclerotic vessel damage, etc. Thirdly, it is quality control for cryopreservation of samples. A wide range of morphological characteristics of the ultramicroscopic structure of cells and microanatomical formations makes it possible to characterize the quality of cryopreservation and quantify the degree of damage, which contributes to the unification and standardization of biobanking. Transmission electron microscopy is the most informative in this matter. Fourthly, this is the basis for digitalization of the results obtained and the formation of an interdisciplinary biobank repository, which allows the use of “big date” technologies for fundamental research. The compliance of the biobank profile with the economic, scientific and industrial characteristics of the infrastructure of the industry or region is of great importance. Electron microscopy data are successfully combined with the results of molecular studies, which allows the formation of interdisciplinary metadata databases suitable for interregional and interdisciplinary scientific integrations. The latter makes it possible to use electron microscopy data to solve a wide range of applied and interdisciplinary problems. The above allows us to consider scanning and transmission microscopy methods as one of the key methods in the development of biobanking in the region.

Existence of symmetry-broken excited states in single and ensemble quantum ring structures

Existence of symmetry-broken excited states in single and ensemble quantum ring structures

Electronic and magnetic excitations in La3Ni2O7

High-temperature superconductivity was discovered in the pressurized nickelate La3Ni2O7 which has a unique bilayer structure and mixed valence state of nickel. The properties at ambient pressure contain crucial information of the fundamental interactions and bosons mediating superconducting pairing. Here, using X-ray absorption spectroscopy and resonant inelastic X-ray scattering, we identified that Ni 3dx2−y2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${d}_{{x}^{2}-{y}^{2}}$$\\end{document}, Ni 3dz2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${d}_{{z}^{2}}$$\\end{document}, and ligand oxygen 2p orbitals dominate the low-energy physics with a small charge-transfer energy. Well-defined optical-like magnetic excitations soften into quasi-static spin-density-wave ordering, evidencing the strong electronic correlation and rich magnetic properties. Based on an effective Heisenberg spin model, we extract a much stronger inter-layer effective magnetic superexchange than the intra-layer ones and propose two viable magnetic structures. Our findings emphasize that the Ni 3dz2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${d}_{{z}^{2}}$$\\end{document} orbital bonding within the bilayer induces novel electronic and magnetic excitations, setting the stage for further exploration of La3Ni2O7 superconductor.

Damage Diagnostics of Miter Gates Using Domain Adaptation and Normalizing Flow-Based Likelihood-Free Inference

Miter gates are vital civil infrastructure components in inland waterway transportation networks. To provide risk-informed insights for decisions related to repair and maintenance, sensors have been installed on some miter gates for monitoring. Despite the monitoring system's ability in collecting a large volume of monitoring data, accurately diagnosing damage state in such large structures remains challenging due to the lack of labeled monitoring data, since these structures are designed with high reliability and for a long operation life. This paper addresses this challenge by proposing a damage diagnostics approach for miter gates based on domain adaptation. The proposed approach consists of two main modules. In the first module, Cycle-Consistent generative adversarial network (CycleGAN) is employed to map monitoring data of a miter gate of interest and other similar yet different miter gates into the same analysis domain. Subsequently, a normalizing flow-based likelihood-free inference model is constructed within this common domain using data from source miter gates whose damage states are labeled from historical inspections. The trained normalizing flow model is then used to predict the damage state of the target miter gate based on the translated monitoring data. A case study is presented to demonstrate the effectiveness of the proposed method. The results indicate that the proposed method in general can accurately estimate the damage state of the target miter gate in the presence of uncertainty.

Research on the Dynamic Response of a Bedding Rock Slope Reinforced by Pile–Anchor Structures Under Earthquakes: A Case Study of a Section of the Duyun-Shangri-La Expressway Project in Ludian County, Yunnan Province, China

Pile and anchor structures are extensively employed for slope stabilization. However, their dynamic response under seismic loading remains unclear and current seismic designs primarily use the pseudo-static method. Here, a three-dimensional numerical simulation of the dynamic behavior of a bedding rock slope supported by pile–anchor systems under earthquakes is conducted. The dynamic calculation for the slope subjected to seismic forces with varying excitation directions and acceleration amplitudes is performed. The dynamic behavior of both the slope and the pile–anchor system is investigated with respect to the slope’s failure mode, the dynamic soil pressure behind the pile, the anchor axial force, the bending moment, and the lateral displacement of the pile. The results indicate that the anti-slide piles cause a reflective and superposition effect on seismic waves within weak rock layers. As the input seismic intensity increases, the axial force in the anchor cables also increases, with the peak axial force occurring during the main energy phase of the seismic waves. The dynamic soil pressure acting behind the piles varies with the stratification of the slope rock layers, with lower peak dynamic earth pressure observed in weak layers. The weak layers on the slope surface experience through-shear failure. Under strong seismic loading, the structural element state undergoes significant changes.

Theoretical Study on BiCoO3: Pressure‐Tuned Transformation of Structure, Magnetism, Charge, and Spin State

AbstractThe atomic structures, electronic structures, magnetic properties, and spin states of BiCoO3 multiferroic material under hydrostatic pressure are comprehensively investigated by using first‐principles calculation based on density functional theory. Firstly, we found the pressure‐tuned structural symmetry transition from tetragonal P4 mm (No. 99) to cubic Pmm (No. 221) space group. The structural transformation prompts the Co─O polyhedral coordination transfer from a CoO5 pyramidal to a CoO6 distorted octahedron. Secondly, the pressure‐induced magnetic change from C‐type antiferromagnetic state to ferromagnetic state and then to paramagnetic configuration occurred after continuous compression of the volume. Essentially, the fundamental reason for the transition of the magnetic structure lies in the change of the internal atomic structure, such as the pressure induced abrupt changes of Co─O bond length and <Co─O─Co> bond angle. Meanwhile, an obvious volume collapse was observed when the pressure was applied to 51–56 GPa. Finally, as the pressure increases, the magnetism changes from C‐type antiferromagnetic state to paramagnetic configuration, accompanying the transformation from high spin state with b2g2eg2a1g1b1g1 configuration in pyramid structure to low spin state with t2g6eg0 in octahedral field. Therefore, our results demonstrate that applied hydrostatic pressure in BiCoO3 can trigger the transformation of structure, magnetism, charge, and spin state.

Vibration vulnerability assessment of heritage structures in Lahore: a step towards sustainable conservation

Lahore is among the most important historical cities in Pakistan, and many cultural heritage structures, such as Shalamar Gardens and Lahore Fort, which are recognised as World Heritage Sites by UNESCO, are located there. The rapid increase in transit operations and infrastructure development in Lahore can increase the vulnerability of nearby heritage structures to ground-borne vibrations. In this study, a vibration vulnerability assessment of the heritage structures present in Lahore was performed with the help of the framework provided by the Federal Transit Administration (FTA), USA. A remote survey was carried out to gather valuable information regarding the distance between the heritage structures and potential vibrational sources, as well as the latitude and longitude of the heritage structures, via the web-based mapping tool Google Earth. A vibration vulnerability map of heritage structures was developed on the basis of a vibration vulnerability assessment to make it convenient for policymakers to visualise the present state of heritage structures with respect to vibration vulnerability. The performed vibration vulnerability assessment was validated by experimentally measuring vibrations at the Buddha’s Tomb (Buddha Ka Awa) heritage structure. The study revealed that 17% of the heritage structures present in Lahore are vulnerable to vibrations at present, with potential vibrational sources such as road traffic, metro trains, and rail traffic. The vibration vulnerability assessment revealed that 72% of the vibrationally vulnerable heritage structures in Lahore are most influenced by vibrations from road traffic. The results of this study can aid policymakers in creating intervention packages for vibrationally vulnerable heritage structures in Lahore in relation to their respective needs, which will make it possible to achieve the sustainable conservation of heritage structures.

Estimation of Earthquake-Induced Direct Economic Losses of Portfolio Buildings Based on Seismic Fragility Surface

Regional seismic loss assessment is crucial for developing earthquake emergency plans, which can significantly reduce casualties and socioeconomic losses in urban communities. Due to the complex types of building structures in a region, it is not possible to accurately measure the damage state of building structures using a single scalar ground motion intensity measure (IM). To more accurately reflect the responses of structures under earthquake excitations, the seismic fragility surface models for 4 typical RC frame structures are developed based on the vector ground motion IMs. The results indicate that the fragility surface model offers a superior level of precision in capturing the inherent uncertainty of ground motion and subsequently determines a more precise probability of structural failure, outperforming traditional single scalar ground motion IM fragility curve models. This enhanced accuracy holds significant implications for regional loss assessment. To fully consider the spatial cross-correlation of vector ground motion IMs, based on the established ground motion database of 8778 records, principal component analysis (PCA) and geostatistical analysis methods are used to construct a spatial cross-correlation influence field that simultaneously considers multiple ground motion IMs to simulate more realistic earthquake scenarios. Considering the impact of uncertainty in loss ratio on earthquake-induced direct economic loss estimation results, the maximum entropy technique is used in conjunction with an improved Latin Hypercube Sampling (LHS) to achieve spatially uniform sampling of loss ratio (LR). This study proposes an assessment framework for regional seismic direct economic loss for portfolio buildings based on the seismic fragility surface model considering spatial cross-correlation and uncertainty of loss ratio. The proposed framework is verified by numerical examples, and it is proven that the regional portfolio buildings considering multiple ground motion IMs is more reliable and robust than those merely considering a single ground motion IM, and when spatial cross-correlation is not considered, the probability of serious economic losses will be underestimated.

Layer Resolved Cr Oxidation State Modulation in Epitaxial SrFe0.67Cr0.33O3-δ Thin Films.

Understanding how doping influences physicochemical properties of ABO3 perovskite oxides is critical for tailoring their functionalities. In this study, SrFe0.67Cr0.33O3-δ epitaxial thin films were used to examine the effects of Fe and Cr competition on structure and B-site cation oxidation states. The films exhibit a perovskite-like structure near the film/substrate interface, while a brownmillerite-like structure with horizontal oxygen vacancy channels predominates near the surface. Electron energy loss spectroscopy shows Fe remains Fe3+, while Cr varies from ∼Cr3+ (tetrahedral layers) to ∼Cr4+ (octahedral layers) within brownmillerite phases and becomes ∼Cr4.5+ in perovskite-like phases. Theoretical simulations indicate that Cr-O bond arrangements and the way oxygen vacancies interact with Cr and Fe drive Cr charge disproportionation. High-valent Cr cations introduce additional densities of states near the Fermi level, reducing the optical bandgap from ∼2.0 eV (SrFeO2.5) to ∼1.7 eV (SrFe0.67Cr0.33O3-δ). These findings offer insights into B-site cation doping in the perovskite oxide framework.

Investigation of the influence of the extract of the herb of umbellate wintergreen on the structural and functional state of the kidneys of rats

Investigation of the influence of the extract of the herb of umbellate wintergreen on the structural and functional state of the kidneys of rats

Formation of structural-phase state of Ti–Al materials with Hf-additives obtained by hydride technology

The paper describes the structural and phase composition of TiHf50, AlHf50, TiAl49Hf2 composite materials obtained by the “hydride” technology. A three-component phase diagram for Ti-Al-Hf at 1150°C is constructed. The structural state of TiAl49Hf2 alloys was predicted based on reference lattices found in the USPEX code with the VASP interface; quantum-chemical calculations of the TiAl49Hf2 energy were additionally performed in the CASTEP code. It is shown that solid solutions dominate in the TiAl49Hf2 alloy sample, in which the main elements dominate: Al10 – Ti9Al23 – Ti8. Hf atoms can be introduced into the interstitial sites [-0.257 0.042 0.2545] (St-Hf-27), [0.0053 -0.0120 -0.0765] (St-Hf-143), [0.5 0.5 0.5] (St-Hf). The introduction of hafnium into the specified lattice sites does not violate the stabilizing effect in the TiAl49Hf2 systems. It is shown that the maximum microhardness value (4.9 GPa) was obtained when testing the TiHf50 sample (for comparison: for the TiAl50 system – 1.2 GPa, for the TiAl49Hf2 system – 2.2 GPa).

Formation of structural-phase state of Ti–Al materials with Zr-additives obtained by hydride technology

The structural and phase composition of TiZr50, AlZr50, TiAl49Zr2 composite materials obtained by the hydride technology was investigated. A model three-component phase diagram was constructed for Ti–Al–Zr at a temperature of 1150°C. The structural state of TiAl49Zr2 alloys was predicted based on reference lattices (USPEX code with VASP interface), quantum-chemical calculations of the energy of TiAl49Zr2 were carried out in the CASTEP code. Solid solutions dominate in TiAl49Zr2, in the composition of which the main elements are predominant: Al10–Ti9Al23–Ti8. Zr atoms can be introduced into the interstitial sites [– 0.257 0.042 0.2545] (St–Zr–27), [0.0053–0.0120–0.0765] (St–Zr–143), [–0.3251–0.3983 0.4880] (St–Zr– 75). The introduction of Zr into the specified lattice sites does not violate the stabilizing effect in the TiAl49Zr2 systems. All reference lattices are stable. In the TiAl49Zr2 alloy, the main phases are Al10Ti9Zr, Al23Ti8Zr, the contributions of which to the theoretical intensity are 78.57 and 21.43%. In the AlZr50 sample, the phases ZrAl, Zr2Al3, ZrAl2.

Review of Yu–Shiba–Rusinov bound state in quantum impurity structures: basic principle and current progress

Abstract Magnetic impurities connected to superconductors reservoir result in bound states within the superconducting gap, so called Yu–Shiba–Rusinov (YSR) state. In the past few years, this field has gained much attention since it is crucial for engineering novel superconducting many-body states, with the perspective of manufacturing Majorana Fermions. The underlying physical picture of YSR state depends closely on the form of the impurities connected to the leads, the manner in which the impurities are organized, and also the diverse local interactions, which is always disclosed with the aid of quantum impurity models. This article provides a comprehensive overview of the progress achieved by previous studies, focusing on the issues demonstrated by quantum impurity structures. The physical mechanisms and the related phenomena assisted by different interactions are discussed in detail. Furthermore, a comprehensive overview of recent experimental achievements is presented, using various metal phthalocyanine molecules as illustrative examples, thereby establishing a robust foundation for future inquiries in this domain.

Chronopharmacotherapy and correction of central pressure in the aorta, structural and functional state of the left ventricular in patients with arterial hypertension and ischemic stroke

Objective. To evaluate the dynamics of central aortic pressure and the cardioprotective effect of antihypertensive chronopharmacotherapy in patients with arterial hypertension (AH) and ischemic stroke. Materials and methods. The study included 119 patients with AH who has suffered an ischemic stroke; patients were randomized in 2 groups depending on the chronopharmacotherapy option: group 1 (n = 60) – patients who received indapamide retard 1.5 mg and valsartan 160 mg in the morning; group 2 (n = 59) – indapamide retard 1.5 mg in the morning and valsartan 80 mg each in the morning and before bedtime. After 2 months of pharmacotherapy, the achievement of the target level of blood pressure was assessed. In group 1, blood pressure was recorded in 47 (78.3 %), in group 2 – in 56 (94.9 %) patients (p < 0.05). The rest of the respondents, who did not reach the blood pressure target, underwent correction of antihypertensive therapy and were excluded from further follow-up. Accordingly, further follow-up was carried out in 47 patients of group 1 (group 1a) and 56 patients of group 2 (group 2a). Initially and after 12 months of therapy, echocardiography parameters ("ALOKA SSD 2500", Japan), as well as daily blood pressure monitoring with determination of central aortic pressure (Peter Telegin LLC BPLabVasotens, Russia) were performed. The results of the study were processed using the Statistica 12.0 program (StatSoftInc, USA). Results. At the time of inclusion in the study, the main parameters of the central aortic pressure and echocardiography parameters in both groups of patients were equivalent. After 12 months a statistically more significant decrease in the main parameters of the central aortic pressure (average daily systolic and diastolic pressure in the aorta, pulse pressure in the aorta, augmentation index in the aorta, amplification of pulse pressure, duration of the expulsion period, subendocardial blood flow efficiency index), as well as echocardiography indicators was recorded in group 2a (end-systolic and end-diastolic dimensions, thickness of the interventricular septum, thickness of the posterior wall of the left ventricular myocardium, left ventricular myocardial mass, left ventricular myocardial mass index and ejection fraction) (p < 0.05). The left ventricular myocardial geometry normalized during therapy was recorded significantly more often in group 2a than in group 1a (p < 0.05). Conclusion. Two times a day intake of valsartan with thiazidelike diuretic in the morning facilitated more significant improvement of central aortic pressure, echocardiography parameters and as well as an improvement in the geometry of the left ventricular myocardium comparing to just morning intake.

Proximity‐Induced Unconventional Superconducting Quantum Oscillation in WTe2/NbSe2 Heterostructures

AbstractThe electron pairing mechanisms in topological superconductors are pivotal for understanding the emergent topology‐related quantum states and play key roles in condensed matter physics. Theoretically, the quantization of magnetic flux in nano‐hole arrays within topological superconductors can be studied for understanding the Bogoliubov quasiparticles via the Little–Parks oscillation. However, experimental evidence of the quasiparticle states in such structures of topological superconductors remains elusive. Here, the unconventional superconducting quantum oscillation phenomena of the proximity‐induced 2D topological superconductivity (TSC) is demonstrated in a nano‐hole array of WTe2/NbSe2 heterojunction. The unconventional oscillation period in WTe2 is substantially smaller than that in the s‐wave superconductor NbSe2 (corresponds to Cooper pairs), implying the probable presence of novel quasiparticle states associated with TSC. Interestingly, such phenomena of multi‐charge flux quanta might be related to the multi‐particle bound states of TSC. These observations provide a new approach for exploring the unconventional superconducting quantum states in topological superconductors.

Investigation of structural, chemical formation and oxidation states of Cu-doped titania and WO3 co-doped titania nanocomposite for antibacterial activity

Investigation of structural, chemical formation and oxidation states of Cu-doped titania and WO3 co-doped titania nanocomposite for antibacterial activity

Elevating Nonlinear Optical Response through d-electron Modulation in Metal-Organic Frameworks.

Electronic structure and excited state behavior is of pronounced influence on regulation of nonlinear optical (NLO) response. Herein, a serials of transition metal ions bearing different d-electron numbers were in situ coordinated within porphyrinic metal-organic frameworks (MOFs), creating NLO-responsive M-metal (metal = Fe, Co, Ni, Cu, and Zn) frameworks. It demonstrated that the NLO properties can be optimized with the increased occupancy of the d-shell, which enhances the degree of delocalization. Specifically, the full-filled (d10) electron configuration of Zn2+ stabilizes the electronic structure, combination with π-π* local excitation character of M-Zn, promoting charge transfer process and resulting in outstanding NLO properties. Moreover, parameters related to the nonlinear process (β, n2, Imχ(3), Reχ(3) and χ(3)) of M-Zn are calculated to be higher than those of other materials, consistent with theoretical calculations. This work paves the way for NLO modulation based on electronic analysis and provides a promising approach for constructing high-performance NLO materials.

Steerable Structural Evolvement and Adsorption Behavior of Metastable Polyoxovanadate-Based Metal-Organic Polyhedra.

Promoting the advancement of the structure and function of metastable substances is challenging but worthwhile. In particular, how to harness the entangled state and evolution path of labile porous structures has been at the forefront of research in molecular self-assembly. In this work, the metastable structures of polyoxovanadate-based metal-organic polyhedra (VMOPs) can be manually regulated, including separation of the interlocked aggregate by a ligand-widening approach as well as transformation from a tetrahedral to capsule-like scaffold via a vertice-remodeling strategy. In these processes, intra- and intermolecular π···π and C-H···π interactions have been recognized as the primary driving forces. Besides being responsible for commanding the structural evolvement of VMOPs, such weak interactions were able to program their spatial arrangements and hence the adsorption performances for dye and iodine. The successful use of such a weak force-dominated design concept beacons a feasible route for customization of the function-oriented metastable structures. Separation and transformation of the interlocked metastable VMOPs have been achieved via the respective ligand-widening approach and vertice-remodeling strategy. Not only their structures but also adsorption features could be well regulated by such a weak force-dominated design concept.

Entropy Engineering of 2D Materials.

Entropy, a measure of disorder or uncertainty in the thermodynamics system, has been widely used to confer desirable functions to alloys and ceramics. The incorporation of three or more principal elements into a single sublattice increases the entropy to medium and high levels, imparting these materials a mélange of advanced mechanical and catalytic properties. In particular, when scaling down the dimensionality of crystals from bulk to the 2D space, the interplay between entropy stabilization and quantum confinement offers enticing opportunities for exploring new fundamental science and applications, since the structural ordering, phase stability, and local electronic states of these distorted 2D materials get significantly reshaped. During the last few years, the large family of high-entropy 2D materials is rapidly expanding to host MXenes, hydrotalcites, chalcogenides, metal-organic frameworks (MOFs), and many other uncharted members. Here, the recent advances in this dynamic field are reviewed, elucidating the influence of entropy on the fundamental properties and underlying elementary mechanisms of 2D materials. In particular, their structure-property relationships resulting from theoretical predictions and experimental findings are discussed. Furthermore, an outlook on the key challenges and opportunities of such an emerging field of 2D materials is also provided.

Effect of the position of Mg replacing Ni on O3-NaNi1/3Fe1/3Mn1/3O2 on the structural stability of cathode materials

O3-NaNi1/3Fe1/3Mn1/3O2 (NaNFM) materials are susceptible to complex phase transitions during electrical cycling leading to poor structural, capacity retention and multiplicity properties. These drawbacks hinder the application of NaNFM in sodium-ion batteries. Here, Mg2+ with larger ionic radius was used to dope its transition metal layer Ni site. The effects of Mg2+ doped NaNFM crystal structure and transition metal valence states on its electrochemical properties were investigated by XRD, SEM, and XPS. The capacity retention of NaNMFM-0.02 (84.05 %) was higher than that of NaNFM (73 %) after 200 cycles of the material at 5C. In addition, NaNMFM-0.02 achieved a first discharge specific capacity of 146.5 mAh/g at high voltage. Based on structural and electrochemical analyses, this improvement is attributed to the fact that magnesium acts as a “pillar” to stabilize the crystal structure of NaNFM, while magnesium doping reduces the Jahn-Teller effect. As a result, the material has better electrochemical properties.