Anisotropy of Electrical and Thermal Conductivity in High-Density Graphite Foils.

Flexible graphite foils with varying thicknesses (S = 282 ± 5 µm, M = 494 ± 7 µm, L = 746 ± 8 µm) and an initial density of 0.70 g/cm3 were obtained using the nitrate method. The specific electrical and thermal conductivity of these foils were investigated. As the density increased from 0.70 g/cm3 to 1.75 g/cm3, the specific electrical conductivity increased from 69 to 192 kS/m and the thermal conductivity increased from 109 to 326 W/(m·K) due to the rolling of graphite foils. The study showed that conductivity and anisotropy depend on the shape, orientation, and contact area of thermally expanded graphite (TEG) mesoparticles (mesostructural factor), and the crystal structure of nanocrystallites (nanostructural factor). A proposed mesostructural model explained these increases, with denser foils showing elongated, narrowed TEG particles and larger contact areas, confirmed by electron microscopy results. For graphite foils 200 and 750 µm thick, increased density led to a larger coherent scattering region, likely due to the rotation of graphite mesoparticles under mechanical action, while thinner foils (<200 µm) with densities > 1.7 g/cm3 showed increased plastic deformation, indicated by a sharp reduction in the coherent scattering region size. This was also evident from the decrease in misorientation angles with increasing density. Rolling reduced nanocrystallite misorientation angles along the rolling direction compared to the transverse direction (TD) (for 1.75 g/cm3 density ΔMA = 1.2° (S), 2.6° (M), and 2.4° (L)), explaining the observed anisotropy in the electrical and mechanical properties of the rolled graphite foils. X-ray analysis confirmed the preferred nanocrystallite orientation and anisotropy coefficients (A) using Kearns parameters, which aligned well with experimental measurements (for L series foils calculated as: A0.70 = 1.05, A1.30 = 1.10, and A1.75 = 1.16). These calculated values corresponded well with the experimental measurements of specific electrical conductivity, where the anisotropy coefficient changed from 1.00 to 1.16 and mechanical properties varied from 0.98 to 1.13.

Digital Biomarkers for the Assessment of Non-Cognitive Symptoms in Patients with Dementia with Lewy Bodies: A Systematic Review.

Background: Portable digital health technologies (DHTs) could help evaluate non-cognitive symptoms, but evidence to support their use in patients with dementia with Lewy bodies (DLB) is uncertain. Objective: 1) To describe portable or wearable DHTs used to obtain digital biomarkers in patients with DLB, 2) to assess the digital biomarkers' ability to evaluate non-cognitive symptoms, and 3) to assess the feasibility of applying digital biomarkers in patients with DLB. Methods: We systematically searched databases MEDLINE, Embase, and Web of Science from inception through February 28, 2023. Studies assessing digital biomarkers obtained by portable or wearable DHTs and related to non-cognitive symptoms were eligible if including patients with DLB. The quality of studies was assessed using a modified check list based on the NIH Quality assessment tool for Observational Cohort and Cross-sectional Studies. A narrative synthesis of data was carried out. Results: We screened 4,295 records and included 20 studies. Seventeen different DHTs were identified for assessment of most non-cognitive symptoms related to DLB. No thorough validation of digital biomarkers for measurement of non-cognitive symptoms in DLB was reported. Studies did not report on aspects of feasibility in a systematic way. Conclusions: Knowledge about feasibility and validity of individual digital biomarkers remains extremely limited. Study heterogeneity is a barrier for establishing a broad evidence base for application of digital biomarkers in DLB. Researchers should conform to recommended standards for systematic evaluation of digital biomarkers.

In Search of a Target Gene for a Desirable Phenotype in Aquaculture: Genome Editing of Cyprinidae and Salmonidae Species.

Aquaculture supplies the world food market with a significant amount of valuable protein. Highly productive aquaculture fishes can be derived by utilizing genome-editing methods, and the main problem is to choose a target gene to obtain the desirable phenotype. This paper presents a review of the studies of genome editing for genes controlling body development, growth, pigmentation and sex determination in five key aquaculture Salmonidae and Cyprinidae species, such as rainbow trout (Onchorhynchus mykiss), Atlantic salmon (Salmo salar), common carp (Cyprinus carpio), goldfish (Carassius auratus), Gibel carp (Carassius gibelio) and the model fish zebrafish (Danio rerio). Among the genes studied, the most applicable for aquaculture are mstnba, pomc, and acvr2, the knockout of which leads to enhanced muscle growth; runx2b, mutants of which do not form bones in myoseptae; lepr, whose lack of function makes fish fast-growing; fads2, Δ6abc/5Mt, and Δ6bcMt, affecting the composition of fatty acids in fish meat; dnd mettl3, and wnt4a, mutants of which are sterile; and disease-susceptibility genes prmt7, gab3, gcJAM-A, and cxcr3.2. Schemes for obtaining common carp populations consisting of only large females are promising for use in aquaculture. The immobilized and uncolored zebrafish line is of interest for laboratory use.

Geometric phase analysis of magnetic skyrmion lattices in Lorentz transmission electron microscopy images.

Magnetic skyrmions are quasi-particles with a swirling spin texture that form two-dimensional lattices. Skyrmion lattices can exhibit defects in response to geometric constraints, variations of temperature or applied magnetic fields. Measuring deformations in skyrmion lattices is important to understand the interplay between the lattice structure and external influences. Geometric phase analysis (GPA) is a Fourier-based image processing method that is used to measure deformation fields in high resolution transmission electron microscopy (TEM) images of crystalline materials. Here, we show that GPA can be applied quantitatively to Lorentz TEM images of two-dimensional skyrmion lattices obtained from a chiral magnet of FeGe. First, GPA is used to map deformation fields around a 5-7 dislocation and the results are compared with the linear theory of elasticity. Second, rotation angles between skyrmion crystal grains are measured and compared with angles calculated from the density of dislocations. Third, an orientational order parameter and the corresponding correlation function are calculated to describe the evolution of the disorder as a function of applied magnetic field. The influence of sources of artifacts such as geometric distortions and large defoci are also discussed.

Dipolar skyrmions and antiskyrmions of arbitrary topological charge at room temperature.

Magnetic skyrmions are localized, stable topological magnetic textures that can move and interact with each other like ordinary particles when an external stimulus is applied. The efficient control of the motion of spin textures using spin-polarized currents opened an opportunity for skyrmionic devices such as racetrack memory and neuromorphic or reservoir computing. The coexistence of skyrmions with high topological charge in the same system promises further possibilities for efficient technological applications. In this work, we directly observe dipolar skyrmions and antiskyrmions with arbitrary topological charge in Co/Ni multilayers at room temperature. We explore the dipolar-stabilized spin objects with topological charges of up to 10 and characterize their nucleation process, their energy dependence on the topological charge and the effect of the material parameters on their stability. Furthermore, our micromagnetic simulations demonstrate spin-transfer-induced motion of these spin objects, which is important for their potential device application.

Low-Frequency Resonant Magnetoelectric Effect in a Piezopolymer-Magnetoactive Elastomer Layered Structure at Different Magnetization Geometries.

The search for novel materials with enhanced characteristics for the advancement of flexible electronic devices and energy harvesting devices is currently a significant concern. Multiferroics are a prominent example of energy conversion materials. The magnetoelectric conversion in a flexible composite based on a piezopolymer layer and a magnetic elastomer layer was investigated. The study focused on investigating the dynamic magnetoelectric effect in various configurations of external alternating and constant homogeneous magnetic fields (L-T and T-T configurations). The T-T geometry exhibited a two orders of magnitude higher coefficient of the magnetoelectric effect compared to the L-T geometry. Mechanisms of structure bending in both geometries were proposed and discussed. A theory was put forward to explain the change in the resonance frequency in a uniform external field. A giant value of frequency tuning in a magnetic field of up to 362% was demonstrated; one of the highest values of the magnetoelectric effect yet recorded in polymer multiferroics was observed, reaching up to 134.3 V/(Oe∙cm).

Tungsten Oxide Dispersed on Silica as Robust and Readily Available Oxo/Imido Heterometathesis Catalyst.

Continuing our investigation of catalytic oxo/imido heterometathesis as novel water-free method for C=N bond construction, we report here the application of classical transition metal oxides dispersed on silica (MOx/SiO2, M=V, Mo, W) as cheap, robust and readily available alternative to the catalysts prepared via Surface Organometallic Chemistry (SOMC). The oxide materials demonstrated activity in heterometathetical imidation of ketones, WO3/SiO2 being the most efficient. We also describe a new well-defined supported W imido complex (≡SiO)W(=NMes)2(Me2Pyr) (Mes=2,4,6-Me3C6H2, Me2Pyr=2,5-dimethylpyrrolyl) and characterize it with SOMC protocols, which allowed us to identify the position of W on the oxo/imido heterometathesis activity scale (Mo

The Influence of Machining Conditions on the Orientation of Nanocrystallites and Anisotropy of Physical and Mechanical Properties of Flexible Graphite Foils.

The physical and mechanical properties and structural condition of flexible graphite foils produced by processing natural graphite with nitric acid, hydrolysis, thermal expansion of graphite and subsequent rolling were studied. The processes of obtaining materials and changing their characteristics has been thoroughly described and demonstrated. The structural transformations of graphite in the manufacture of foils were studied by X-ray diffraction analysis (XRD) and transmission electron microscopy (TEM). A decrease in the average size of the coherent scattering regions (CSR) of nanocrystallites was revealed during the transition from natural graphite to thermally expanded graphite from 57.3 nm to 20.5 nm at a temperature of 900 °C. The rolling pressure ranged from 0.05 MPa to 72.5 MPa. The thickness of the flexible graphite foils varied from 0.11 mm to 0.75 mm, the density-from 0.70 to 1.75 g/cm3. It was shown that with an increase in density within these limits, the compressibility of the graphite foil decreased from 65% to 9%, the recoverability increased from 5% to 60%, and the resiliency decreased from 10% to 6%, which is explained by the structural features of nanocrystallites. The properties' anisotropy of graphite foils was studied. The tensile strength increased with increasing density from 3.0 MPa (ρ = 0.7 g/cm3) to 14.0 MPa (ρ = 1.75 g/cm3) both in the rolling direction L and across T. At the same time, the anisotropy of physical and mechanical properties increased with an increase in density along L and T to 12% with absolute values of 14.0 MPa against 12.5 MPa at a thickness of 200 µm. Expressed anisotropy was observed along L and T when studying the misorientation angles of nanocrystallites: at ρ = 0.7 g/cm3, it was from 13.4° to 14.4° (up to 5% at the same thickness); at ρ = 1.3 g/cm3-from 11.0° to 12.8° (up to 7%); at ρ = 1.75 g/cm3-from 10.9° to 12.4° (up to 11%). It was found that in graphite foils, there was an increase in the coherent scattering regions in nanocrystallites with an increase in density from 24.8 nm to 49.6 nm. The observed effect can be explained by the coagulation of nanocrystallites by enhancing the Van der Waals interaction between the surface planes of coaxial nanocrystallites, which is accompanied by an increase in microstrains. The results obtained can help discover the mechanism of deformation of porous graphite foils. The obtained results can help discover the deformation mechanism of porous graphite foils. We assume that this will help predict the material behavior under industrial operating conditions of products based flexible graphite foils.

Readily available Ti-based in situ catalytic system for oxo/imido heterometathesis.

We investigate Ti(NEt2)4 supported on silica dehydroxylated at 700 °C as an easily accessible pre-catalyst for oxo/imido heterometathesis reactions. Being activated with TolNH2, the supported Ti amide (SiO)Ti(NEt2)3 (1) demonstrates catalytic activity in the imidation of ketones with N-sulfinylamines comparable with the most active previously described well-defined imido catalyst (SiO)Ti(NtBu)(Me2Pyr)(py)2 (2) (Me2Pyr = 2,5-dimethylpyrrolyl), which implies the in situ formation of surface imido species in this system. The materials obtained via treatment of 1 with anilines (TolNH2 (1a) and p-MeOC6H415NH2 (1b)) were studied with IR, EA and 1H, 13C, 15N and 2D solid-state NMR, although the proposed imido intermediate has not been detected, pointing towards tris-amides (SiO)Ti(NHC6H4X)3 (X = Me, OMe) being the major surface species in the isolated materials 1a and 1b. The system 1/TolNH2 was tested in a range of imidation reactions and demonstrated excellent performance for express high-yielding preparation of ketimines, formamidines, lactone imidates and sulfurdiimines, making it a convenient alternative to the well-defined supported Ti imido catalysts.

Biophysical and structural characterization of a multifunctional viral genome packaging motor.

The large dsDNA viruses replicate their DNA as concatemers consisting of multiple covalently linked genomes. Genome packaging is catalyzed by a terminase enzyme that excises individual genomes from concatemers and packages them into preassembled procapsids. These disparate tasks are catalyzed by terminase alternating between two distinct states-a stable nuclease that excises individual genomes and a dynamic motor that translocates DNA into the procapsid. It was proposed that bacteriophage λ terminase assembles as an anti-parallel dimer-of-dimers nuclease complex at the packaging initiation site. In contrast, all characterized packaging motors are composed of five terminase subunits bound to the procapsid in a parallel orientation. Here, we describe biophysical and structural characterization of the λ holoenzyme complex assembled in solution. Analytical ultracentrifugation, small angle X-ray scattering, and native mass spectrometry indicate that 5 subunits assemble a cone-shaped terminase complex. Classification of cryoEM images reveals starfish-like rings with skewed pentameric symmetry and one special subunit. We propose a model wherein nuclease domains of two subunits alternate between a dimeric head-to-head arrangement for genome maturation and a fully parallel arrangement during genome packaging. Given that genome packaging is strongly conserved in both prokaryotic and eukaryotic viruses, the results have broad biological implications.

An Artificial Intelligence-Based Support Tool for Lumbar Spinal Stenosis Diagnosis from Self-Reported History Questionnaire.

OBJECTIVES: Symptomatic lumbar spinal stenosis (LSS) leads to functional impairment and pain. While radiologic characterization of the morphological stenosis grade can aid in the diagnosis, it may not always correlate with patient symptoms. Artificial intelligence (AI) may diagnose symptomatic LSS in patients solely based on self-reported history questionnaires. METHODS: We evaluated multiple machine learning (ML) models to determine the likelihood of LSS using a self-reported questionnaire in patients experiencing low back pain and/or numbness in the legs. The questionnaire was built from peer-reviewed literature and a multidisciplinary panel of experts. Random forest, lasso logistic regression, support vector machine, gradient boosting trees, deep neural networks, and automated machine learning models were trained and performance metrics were compared. RESULTS: Data from 4827 patients (4690 patients without LSS: mean age 62.44, range 27-84 years, 62.8% females, and 137 patients with LSS: mean age 50.59, range 30-71 years, 59.9% females) were retrospectively collected. Among the evaluated models, the random forest model demonstrated the highest predictive accuracy with an area under the receiver operating characteristic curve (AUROC) between model prediction and LSS diagnosis of 0.96, a sensitivity of 0.94, a specificity of 0.88, a balanced accuracy of 0.91, and a Cohen's kappa of 0.85. CONCLUSIONS: Our results indicate that ML can automate the diagnosis of LSS based on self-reported questionnaires with high accuracy. Implementation of standardized and intelligence-automated workflow may serve as a supportive diagnostic tool to streamline patient management and potentially lower health care costs.

Ab initio study of electronic states and radiative properties of the AcF molecule.

Relativistic coupled-cluster calculations of the ionization potential, dissociation energy, and excited electronic states under 35 000 cm-1 are presented for the actinium monofluoride (AcF) molecule. The ionization potential is calculated to be IPe = 48 866 cm-1, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the T,P-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving a mean uncertainty estimate of ∼450 cm-1 for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck-Condon factors are used to investigate the suitability of AcF for direct laser cooling. The lifetime of the metastable (1)3Δ1 state, which can be used in experimental searches of the electric dipole moment of the electron, is estimated to be of order 1 ms.

Hopfion rings in a cubic chiral magnet.

Magnetic skyrmions and hopfions are topological solitons1-well-localized field configurations that have gained considerable attention over the past decade owing to their unique particle-like properties, which make them promising objects for spintronic applications. Skyrmions2,3 are two-dimensional solitons resembling vortex-like string structures that can penetrate an entire sample. Hopfions4-9 are three-dimensional solitons confined within a magnetic sample volume and can be considered as closed twisted skyrmion strings that take the shape of a ring in the simplest case. Despite extensive research on magnetic skyrmions, the direct observation of magnetic hopfions is challenging10 and has only been reported in a synthetic material11. Here we present direct observations of hopfions in crystals. In our experiment, we use transmission electron microscopy to observe hopfions forming coupled states with skyrmion strings in B20-type FeGe plates. We provide a protocol for nucleating such hopfion rings, which we verify using Lorentz imaging and electron holography. Our results are highly reproducible and in full agreement with micromagnetic simulations. We provide a unified skyrmion-hopfion homotopy classification and offer insight into the diversity of topological solitons in three-dimensional chiral magnets.

Reductive Transformation of O-, N-, S-Containing Aromatic Compounds under Hydrogen Transfer Conditions: Effect of the Process on the Ni-Based Catalyst.

The influence of the reaction medium on the surface structure and properties of a Ni-based catalyst used for the reductive transformations of O-, N-, and S-containing aromatic substrates under hydrogen transfer conditions has been studied. The catalysts were characterized by XRD, XPS, and IR spectroscopy and TEM methods before and after the reductive reaction. It has been shown that the conversion of 1-benzothiophene causes irreversible poisoning of the catalyst surface with the formation of the Ni2S3 phase, whereas the conversion of naphthalene, 1-benzofuran, and indole does not cause any phase change of the catalyst at 250 °C. However, after the indole conversion, the catalyst surface remains enriched with N-containing compounds, which are evenly distributed over the surface.

Extrusion fountains are hallmarks of chromosome organization emerging upon zygotic genome activation.

The first activation of gene expression during development (zygotic genome activation, ZGA) is accompanied by massive changes in chromosome organization. The connection between these two processes remains unknown. Using Hi-C for zebrafish embryos, we found that chromosome folding starts by establishing "fountains", novel elements of chromosome organization, emerging selectively at enhancers upon ZGA. Using polymer simulations, we demonstrate that fountains can emerge as sites of targeted cohesin loading and require two-sided, yet desynchronized, loop extrusion. Specific loss of fountains upon loss of pioneer transcription factors that drive ZGA reveals a causal connection between enhancer activity and fountain formation. Finally, we show that fountains emerge in early Medaka and Xenopus embryos; moreover, we found cohesin-dependent fountain pattern on enhancers of mouse embryonic stem cells. Taken together, fountains are the first enhancer-specific elements of chromosome organization; they constitute starting points of chromosome folding during early development, likely serving as sites of targeted cohesin loading.

Dynamic Magnetoelectric Effect of Soft Layered Composites with a Magnetic Elastomer.

Multilayered magnetoelectric materials are of great interest for investigations due to their unique tuneable properties and giant values of magnetoelectric effect. The flexible layered structures consisting of soft components can reveal lower values of the resonant frequency for the dynamic magnetoelectric effect appearing in bending deformation mode. The double-layered structure based on the piezoelectric polymer polyvinylidene fluoride and a magnetoactive elastomer (MAE) with carbonyl iron particles in a cantilever configuration was investigated in this work. The gradient AC magnetic field was applied to the structure, causing the bending of the sample due to the attraction acting on the magnetic component. The resonant enhancement of the magnetoelectric effect was observed. The main resonant frequency for the samples depended on the MAE properties, namely, their thickness and concentration of iron particles, and was 156-163 Hz for a 0.3 mm MAE layer and 50-72 Hz for a 3 mm MAE layer; the resonant frequency depended on bias DC magnetic field as well. The results obtained can extend the application area of these devices for energy harvesting.

Rational Design of New Monoterpene-Containing Azoles and Their Antifungal Activity.

Azole antifungals, including fluconazole, have long been the first-line antifungal agents in the fight against fungal infections. The emergence of drug-resistant strains and the associated increase in mortality from systemic mycoses has prompted the development of new agents based on azoles. We reported a synthesis of novel monoterpene-containing azoles with high antifungal activity and low cytotoxicity. These hybrids demonstrated broad-spectrum activity against all tested fungal strains, with excellent minimum inhibitory concentration (MIC) values against both fluconazole-susceptible and fluconazole-resistant strains of Candida spp. Compounds 10a and 10c with cuminyl and pinenyl fragments demonstrated up to 100 times lower MICs than fluconazole against clinical isolates. The results indicated that the monoterpene-containing azoles had much lower MICs against fluconazole-resistant clinical isolates of Candida parapsilosis than their phenyl-containing counterpart. In addition, the compounds did not exhibit cytotoxicity at active concentrations in the MTT assay, indicating potential for further development as antifungal agents.

Toward On-Chip Multisensor Arrays for Selective Methanol and Ethanol Detection at Room Temperature: Capitalizing the Graphene Carbonylation.

The artificial olfaction units (or e-noses) capable of room-temperature operation are highly demanded to meet the requests of society in numerous vital applications and developing Internet-of-Things. Derivatized 2D crystals are considered as sensing elements of choice in this regard, unlocking the potential of the advanced e-nose technologies limited by the current semiconductor technologies. Herein, we consider fabrication and gas-sensing properties of On-chip multisensor arrays based on a hole-matrixed carbonylated (C-ny) graphene film with a gradually changed thickness and concentration of ketone groups of up to 12.5 at.%. The enhanced chemiresistive response of C-ny graphene toward methanol and ethanol, of hundred ppm concentration when mixing with air to match permissible exposure OSHA limits, at room-temperature operation is signified. Following thorough characterization via core-level techniques and density functional theory, the predominant role of the C-ny graphene-perforated structure and abundance of ketone groups in advancing the chemiresistive effect is established. Advancing practice applications, selective discrimination of the studied alcohols is approached by linear discriminant analysis employing a multisensor array's vector signal, and the fabricated chip's long-term performance is shown.

Less correction with minimally invasive surgery for adolescent idiopathic scoliosis compared to open surgical correction.

Purpose: In this study, we investigated the relationship between the results of thoracic curve correction using minimally invasive surgeries in 35 patients and open surgical correction in 47 patients with adolescent idiopathic scoliosis. Methods: The correlations between the Cobb's angle of the primary and postoperative curves, angle of thoracic kyphosis and lumbar lordosis, correction percentage, derotation values, estimated blood loss, duration of surgery, and period of hospitalization after surgery were assessed by calculating the mean and standard deviation. Calculation and comparison were performed using Pearson correlation. Results: The Cobb's angle correction ranged from 53.4° ± 11.8° to 6.7° ± 5.2° (p < 0.001) in the open surgical correction group and from 51.2° ± 11.4° to 11.7° ± 5.8° (p < 0.001) in the minimally invasive surgery group before and after surgery, respectively. The percentage of curvature correction was 88.2% ± 8.0% and 77.7% ± 10.7% (p < 0.001) in the open surgical correction and minimally invasive surgery groups, respectively. The estimated blood loss was higher in the open surgical correction group than in the minimally invasive surgery group (208.7 ± 113.4 vs 564.3 ± 242.7 mL). Axial rotation was changed from 29.1°± 7.5 to 17.1°± 6.8 (p < 0.001) in the open surgical correction group and from 28.9°± 7.8 to 19.4°± 6.4 (p < 0.001) in the minimally invasive surgery group. The duration of surgery was shorter in the open surgical correction group than in the minimally invasive surgery group (266.6 ± 64.3 vs 346.2 ± 70.5 min). A positive correlation between time of operation and Cobb's angle correction (in °) in open surgical correction (r = 0.37) and minimally invasive surgery (r = 0.43) was found. Conclusion: The open surgical correction procedures were more effective than minimally invasive surgery in correcting the spinal curve. The increase in the duration of open surgical correction increases the estimated blood loss, but it also more significantly improves the correction of Cobb's angle. Level of evidence: III.