Polar Moment Research Articles

Rotation Correction Algorithm Based on Polar Harmonic Fourier Moments and Optimization of Color Image Security Quantization Watermarking Scheme

Rotation Correction Algorithm Based on Polar Harmonic Fourier Moments and Optimization of Color Image Security Quantization Watermarking Scheme

Mitigating aging and doxorubicin induced bone loss in mature mice via mechanobiology based treatments

Aging leads to a reduced anabolic response to mechanical stimuli and a loss of bone mass and structural integrity. Chemotherapy agents such as doxorubicin exacerbate the degeneration of aging skeleton and further subject older cancer patients to a higher fracture risk. To alleviate this clinical problem, we proposed and tested a novel mechanobiology-based therapy. Building upon prior findings that i) Yoda1, the Piezo1 agonist, promoted bone growth in young adult mice and suppressed bone resorption markers in aged mice, and ii) moderate tibial loading protected bone from breast cancer-induced osteolysis, we hypothesized that combined Yoda1 and moderate loading would improve the structural integrity of adult and aged skeletons in vivo and protect bones from deterioration after chemotherapy. We first examined the effects of 4-week Yoda1 (dose 5 mg/kg, 5 times/week) and moderate tibial loading (4.5 N peak load, 4 Hz, 300 cycles for 5 days/week), individually and combined, on mature mice (∼50 weeks of age). Combined Yoda1 and loading was found to mitigate age-associated cortical and trabecular bone loss better than individual interventions. As expected, the non-treated controls experienced an average drop of cortical polar moment of inertia (Ct.pMOI) by −4.3 % over four weeks and the bone deterioration occurred in the majority (64 %) of the samples. Relative to no treatment, loading alone, Yoda1 alone, and combined Yoda1 and loading increased Ct.pMOI by +7.3 %, +9.5 %, +12.0 % and increased the % of samples with positive Ct.pMOI changes by +32 %, +26 %, and +43 %, respectively, suggesting an additive protection of aging-related bone loss for the combined therapy. We further tested if the treatment efficacy was preserved in mature mice following two weeks (six injections) of doxorubicin at the dose of 2.5 or 5 mg/kg. As expected, doxorubicin increased osteocyte apoptosis, altered bone remodeling, and impaired bone structure. However, the effects induced by DOX were too severe to be rescued by Yoda1 and loading, alone or combined, although loading and Yoda1 individually, or combined, increased the number of mice showing positive responsiveness by 0 %, +15 %, and +29 % relative to no intervention after doxorubicin exposure. Overall, this study supported the potentials and challenges of the Yoda1-based strategy in mitigating the detrimental skeletal effects caused by aging and doxorubicin.

Cross-sectional size, shape, and estimated strength of the tibia, fibula and second metatarsal in female collegiate-level cross-country runners and soccer players

Bone stress injuries (BSIs) frequently occur in the leg and foot long bones of female distance runners. A potential means of preventing BSIs is to participate in multidirectional sports when younger to build a more robust skeleton. The current cross-sectional study compared differences in tibia, fibula, and second metatarsal diaphysis size, shape, and strength between female collegiate-level athletes specialized in cross-country running (RUN, n = 16) and soccer (SOC, n = 16). Assessments were performed using high-resolution peripheral quantitative computed tomography and outcomes corrected for measures at the radius diaphysis to control for selection bias and systemic differences between groups. The tibia in SOC had a 7.5 % larger total area than RUN, with a 29.4 % greater minimum second moment of area (IMIN) and 8.2 % greater estimated failure load (all p ≤ 0.02). Tibial values in SOC exceeded reference data indicating positive adaptation. In contrast, values in RUN were similar to reference data suggesting running induced limited tibial adaptation. RUN did have a larger ratio between their maximum second moment of area (IMAX) and IMIN than both SOC and reference values. This suggests the unidirectional loading associated with running altered tibial shape with material distributed more in the anteroposterior (IMAX) direction as opposed to the mediolateral (IMIN) direction. Comparatively, SOC had a similar IMAX/IMIN ratio to reference data suggesting the larger tibia in SOC resulted from multiplane adaptation. In addition to enhanced size and strength of their tibia, SOC had enhanced structure and strength of their fibula and second metatarsal. At both sites, polar moment of inertia was approximately 25 % larger in SOC compared to RUN (all p = 0.03). These data support calls for young female athletes to delay specialization in running and participate in multidirectional sports, like soccer, to build a more robust skeleton that is potentially more protected against BSIs.

From Simple to Complex Scenes: Learning Robust Feature Representations for Accurate Human Parsing.

Human parsing has attracted considerable research interest due to its broad potential applications in the computer vision community. In this paper, we explore several useful properties, including high-resolution representation, auxiliary guidance, and model robustness, which collectively contribute to a novel method for accurate human parsing in both simple and complex scenes. Starting from simple scenes: we propose the boundary-aware hybrid resolution network (BHRN), an advanced human parsing network. BHRN utilizes deconvolutional layers and multi-scale supervision to generate rich high-resolution representations. Additionally, it includes an edge perceiving branch designed to enhance the fineness of part boundaries. Building on BHRN, we construct a dual-task mutual learning (DTML) framework. It not only provides implicit guidance to assist the parser by incorporating boundary features, but also explicitly maintains the high-order consistency between the parsing prediction and the ground truth. Toward complex scenes: we develop a domain transform method to enhance the model robustness. By transforming the input space from the spatial domain to the polar harmonic Fourier moment domain, the mapping relationship to the output semantic space is highly stable. This transformation yields robust representations for both clean and corrupted data. When evaluated on standard benchmark datasets, our method achieves superior performance compared to state-of-the-art human parsing methods. Furthermore, our domain transform strategy significantly improves the robustness of DTML dramatically in most complex scenes.

The path less traveled: Using structural equation modeling to investigate factors influencing bone functional morphology.

The relationship between an organism's mechanical environment and its bone strength has been long established by experimental research. Multiple intrinsic and extrinsic factors, including body mass, muscle strength, genetic background, and nutritional and/or hormonal status, are likely to influence bone deposition and resorption throughout the lifespan, complicating this relationship. Structural equation modeling (SEM) is uniquely positioned to parse this complex set of influences. Data from the Third National Health and Nutrition Examination Survey, including sex, total body mass, lean body mass, exercise frequency, peak body mass, and age, were analyzed using SEM to determine how they affect bone strength both individually and combined. Body mass is typically the driver of cross-sectional area, but body mass and lean mass have similar effects on the polar moment of area (J). Peak body mass had a strong direct effect on J, despite decreasing strongly with increases in lean mass. Exercise also did not confer a large direct effect on cross-sectional area or J but did modify body mass and lean mass. In females, intentional weight loss was associated with decreased exercise levels. SEM is a useful tool for parsing complex systems in bone functional morphology and has the potential to uncover causal links in the study of skeletal remodeling, including factors like weight loss or exercise that may have secondary effects.

Identification and Manipulation of Atomic Polarization Moments for Nonlinear Magneto‐Optical Rotation Atomic Magnetometers

AbstractPolarization moments play a crucial role in measuring magnetic fields for nonlinear magneto‐optical rotation (NMOR) atomic magnetometers. However, it is challenging to distinguish between each polarization moment and evaluate its effect on the magnetic resonance response signal in an alkali vapor cell with buffer gas. To address this issue, a method is proposed to identify different polarization moments through the frequency shift of the magnetic resonance response signal. The proportion of each polarization moment is determined, and it is demonstrated that the magnetic resonance response signal is affected by the hexadecapole moment, resulting in a frequency shift and a decrease in signal amplitude. To mitigate this effect, an approach is investigated to manipulate the polarization moments by flipping the phase of the pump light. Ultimately, a 15.19% increase in response amplitude is achieved in the simulated geomagnetic environment within the magnetic shield barrel. The theory and method presented here provide strong support for the study of the polarization moments in an alkali vapor cell with buffer gas, which potentially enhance the performance of NMOR atomic magnetometers.

Nonlinear Effects of Hydrophobic Confinement on the Electronic Structure and Dielectric Response of Water.

Fundamental studies of the dielectrics of confined water are critical to understand the ion transport across biological and synthetic nanochannels. The relevance of these fundamental studies, however, surmounts the difficulty of probing water's dielectric constant as a function of a fine variation in confinement. In this work, we explore the computational efficiency of machine learning potentials to derive the confinement effects on the dielectric constant, polarization, and dipole moment of water. Our simulations predict an enhancement of the axial dielectric constant of water under extreme confinement, arising from either the formation of ferroelectric structures of ordered water or larger dipole fluctuations facilitated by the disruption of water's H-bond network. Our study highlights the impact of hydrophobic nanoconfinement on the dielectric constant and on the ionic and electronic structure of water molecules, pointing to the importance of geometric flexibility and electronic polarizability to properly model confinement effects on water.

An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE.

Acetylcholinesterase (AChE) is one of the main drug targets for treating Alzheimer's disease. This current study relies on multiple molecular modeling approaches to develop new potent inhibitors of AChE. We explored a 2D QSAR study using the statistical method of multiple linear regression based on a set of substituted 5-phenyl-1,3,4-oxadiazole and N-benzylpiperidine analogs, which were recently synthesized and proved their inhibitory activities against acetylcholinesterase (AChE). The molecular descriptors, polar surface area, dipole moment, and molecular weight are the key structural properties governing AChE inhibition activity. The MLR model was selected based on its statistical parameters: R2 = 0.701, R2test = 0.76, Q2CV = 0.638, and RMSE = 0.336, demonstrating its predictive reliability. Randomization tests, VIF tests, and applicability domain tests were adopted to verify the model's robustness. As a result, 11 new molecules were designed with higher anti-Alzheimer's activities than the model molecule. We demonstrated their improved pharmacokinetic properties through an in silico ADMET study. A molecular docking study was conducted to explore their AChE inhibition mechanisms and binding affinities in the active site. The binding scores of compounds M1, M2, and M6 were (-12.6 kcal/mol), (-13 kcal/mol), and (-12.4 kcal/mol), respectively, which are higher than the standard inhibitor Donepezil with a binding score of (-10.8 kcal/mol). Molecular dynamics simulations over 100 ns were used to validate the molecular docking results, indicating that compounds M1 and M2 remain stable in the active site, confirming their potential as promising anti-AChE inhibitors.

Effects of Carbon Spacer Length on Conformational Transitions and Protein Adsorption of Polyzwitterions.

The properties of polyzwitterions are closely linked to their carbon spacer length (CSL) between oppositely charged groups. A thorough understanding of the effect of CSL on the properties of polyzwitterion-functionalized membranes is important for their fouling resistance and separation performances. In this work, polyzwitterion-functionalized membranes with different CSLs are prepared by coupling selective swelling-induced pore generation with zwitterionization, and the investigation is focused on comprehending the molecular mechanisms underlying protein resistance and conformational transitions within polyzwitterions under varying CSLs. The zwitterionized films show an enhancement in the surface negative potential with the increase of CSL, attributed to the negatively charged groups distanced from the positively charged groups. Quartz crystal microbalance with dissipation (QCM-D) demonstrates that zwitterionized films with different CSLs display distinct levels of resistance to protein adsorption. The trimethylamine N-oxide-derived polymer (PTMAO, CSL = 0) zwitterionized film shows the highest resistance compared to the poly(3-[dimethyl(2'-methacryloyloxyethyl] ammonio) ethanesulfonate (PMAES, CSL = 2) zwitterionized film and the poly(sulfobetaine methacrylate) (PSBMA, CSL = 3) zwitterionized film, owing to its electrical neutrality and pronounced hydrophilicity. Moreover, analysis of the anti-polyelectrolyte behaviors reveals that PTMAO does not undergo a significant conformation transition in deionized water and salt solutions, while the conformations of PMAES and PSBMA display to be more salt-dependent as the CSL increases, attributed to their increased polarization and dipole moment. As a result, the permeability of zwitterionized membranes exhibits enhanced salt responsiveness with the increase in CSL. The findings of this study are expected to facilitate the design of adsorption-resistant surfaces desired in diverse fields.

KBiFe2O5 triggered-phase transition of Bi2Fe4O9 and Fe3O4 in tellurite glass with huge nonlinear and magnetic properties

In the quest for glass materials with high nonlinearity and strong magnetism to meet the demands of advancing technology, magnetic nanocrystal (NC) doping emerges as a promising approach. The paper investigates the phase transition from KBiFe2O5 to Bi2Fe4O9 and Fe3O4 NCs within a TeO2–Bi2O3–B2O3 glass matrix. The novelty of this study lies in leveraging the coexistence of multiple phases to amplify both the polarization and magnetic moment of glass. Various techniques, including X-ray diffraction, transition transmission electron microscopy, X-ray photoelectron spectroscopy, Mössbauer spectroscopy, and vibrational sample magnetometer were employed to analyze the impact of NCs content and heat treatment temperature on crystallization, structure modification, and properties. KBiFe2O5 NCs doping induces changes in crystal phases and modifies the glass network structure by forming multi-valence states and altering coordination numbers, such as FeO4→FeO6, TeO4→TeO3, and BO4→BO3. Concurrently, appropriate temperature conditions result in reduced NC size, preserving glass transparency and thermal stability. Spinel Fe3O4 NCs formation at higher temperatures enhances magnetic behavior. A glass sample containing 1 mol% KBiFe2O5 NCs, heat-treated at 410 °C, exhibits a narrow bandgap (Eg) of 1.82 eV, high nonlinear parameters (α3 = 3.98 × 10−10 m/W, χ(3) = 8.65 × 10−11 esu), and a low limiting threshold (1.01 × 1012 W/m2). Additionally, owing to the incorporation of high spin states and active magnetic exchange interactions, the same glass demonstrates robust ferromagnetic behavior (Ms = 2.3 emu/g and Hc = 850 G). The approach developed in this study has been demonstrated to be highly effective in producing transparent glass with promising nonlinearity and magnetic performance suitable for photonics applications.

Quaternion fast and accurate polar harmonic Fourier moments for color image analysis and object recognition

Image moments, as a kind of global feature descriptor of images, have become a valuable tool for pattern recognition and image analysis. However, traditional methods are mainly used to deal with grayscale images. In this paper, we apply quaternions to fast and accurate polar harmonic Fourier moments, proposing a kind of quaternion fast and accurate polar harmonic Fourier moment (QFAPHFM) capable of handling color images. Furthermore, this paper provides a detailed analysis of the invariance of QFAPHFMs under rotation, scaling, and translation transformations. The experimental results show that QFAPHFMs exhibit excellent performance in both image reconstruction and object recognition tasks. QFAPHFMs achieve accurate image reconstruction under noiseless and noisy conditions, and demonstrate excellent recognition performance in the color-based object recognition tasks.

Modeling of flexible shaft for robotics applications

Reducing moving mass and effective inertia is essential for achieving safe human–robot collaboration. This can be achieved either by employing remote actuation, which moves the mass of actuators away from the moving elements of the robot, or by elastic actuation, which decouples the inertia of the actuator from the inertia of the robot’s link. Flexible shafts, being torsionally compliant slender long shafts, offer a combination of remote and series elastic actuation over an obstacle. Modeling such transmission is complicated due to its three-dimensional deformation in torsion, bending, and helical buckling. This paper proposes an algorithm for estimating the polar moment of inertia and stiffness of the flexible shafts using their physical dimensions of length and diameter. Using an inertia-spring–damper model, the stiffness parameters are estimated experimentally for nine flexible shafts with variable diameters and lengths in straight and bent configurations. The proposed algorithm is validated with experimental stiffness values for variable diameters and lengths in straight configuration. For bent configuration, an empirical formulation is provided to incorporate the bending deformation effect till a bending angle of 45∘.

Torsion constants and virtual mechanical tests are valid image-based surrogate measures of ovine fracture healing.

In large animal studies, the mechanical reintegration of the bone fragments is measured using postmortem physical testing, but these assessments can only be performed once, after sacrifice. Image-based virtual mechanical testing is an attractive alternative because it could be used to monitor healing longitudinally. However, the procedures and software required to perform finite element analysis (FEA) on subject-specific models for virtual mechanical testing can be time consuming and costly. Accordingly, the goal of this study was to determine whether a simpler image-based geometric measure-the torsion constant, sometimes known as polar moment of inertia-can be reliably used as a surrogate measure of bone healing in large animals. To achieve this, postmortem biomechanical testing and microCT scans were analyzed for a total of 33 operated and 20 intact ovine tibiae. An image-processing procedure to compute the attenuation-weighted torsion constant from the microCT scans was developed in MATLAB and this code has been made freely available. Linear regression analysis was performed between the postmortem biomechanical data, the results of virtual mechanical testing using FEA, and the torsion constants measured from the scans. The results showed that virtual mechanical testing is the most reliable surrogate measure of postmortem torsional rigidity, having strong correlations and high absolute agreement. However, when FEA is not practical, the torsion constant is a viable alternative surrogate measure that is moderately correlated with postmortem torsional rigidity and can be readily calculated.

Loss of maternal calcitriol reversibly alters early offspring growth and skeletal development in mice.

Ablation of Cyp27b1 eliminates calcitriol but does not disturb fetal mineral homeostasis or skeletal development. However, independent of fetal genotypes, maternal loss of Cyp27b1 altered fetal mineral and hormonal levels compared to offspring of WT dams. We hypothesized that these maternal influences would alter postnatal skeletal development. Cyp27b1 null and WT females were mated to bear only Cyp27b1+/- offspring. Forty-eight hours after birth, pups were cross-fostered to dams of the same or opposite genotype that bore them. Maternal and offspring samples were collected on days 21 (weaning) and 42. Offspring measurements included minerals and hormones, BMC by DXA, ash weight and mineral content, gene expression, 3-point bending tests, and microCT. Maternal lactational behavior was evaluated. Milk was analyzed for nutritional content. At day 21, offspring fostered by nulls, independent of birth dam, had ~20% lower weight, BMC, ash weight, and ash calcium than pups fostered by WT dams. Adjustment for body weight accounted for the lower BMC but not the lower ash weight and ash calcium. Hormones and serum/urine minerals did not differ across offspring groups. Offspring fostered by nulls had shorter femurs and lower cortical thickness, mean polar moment of inertia, cortical area, trabecular bone volume, and trabecular number. Dam lactational behaviors and milk nutritional content did not differ between groups. At day 42, body weight, ash weight, lengths, BMC, and tibial bone strength were no longer different between pups fostered by null vs WT dams. In summary, pups fostered by Cyp27b1 nulls, regardless of birth dam, have proportionately smaller skeletons at 21d, impaired microstructure, but normal mineral homeostasis. The skeletal effects are largely recovered by day 42 (3 wk after weaning). In conclusion, maternal loss of calcitriol impairs early postnatal cortical bone growth and trabecular bone mass, but affected offspring catch up after weaning.

Microarchitecture of the penis bone (baculum) of a seal: A 3D morphometric examination using synchrotron and laboratory micro-computed tomography.

We examined the ultrastructure of the mammalian os penis at the high-resolution synchrotron level. Previously, bacular microanatomy had only been investigated histologically. We studied the baculum of the harp seal (Pagophilus groenlandicus), in which the baculum varies more in size and shape than does a mechanically constrained bone (humerus). We (1) investigated the microarchitecture of bacula and humeri from the same seal specimens, and (2) described changes in bone micro- and macro-morphology associated with age (n = 15, age range = 1-35 years) and bone type. We analyzed cross-sectional geometry non-destructively through laboratory micro-computed tomography. We suggest that the midshaft may resist axial compression while the proximal region may resist torsion, based on measurements of cross-sectional and cortical areas, perimeter, ratio of maximum and minimum moments of inertia, and polar moment of inertia. In addition, midshaft bacula may be less mechanosensitive than humeri, based on microstructural variables (e.g., volume, surface area, diameter associated with lacunae and cortical porosity) analyzed across age groupings. Our findings related to the microarchitecture of the pinniped baculum provide a basis for further studies on development, mechanical properties, functions, and adaptations in this and other pinniped species. Our use of a multi-modal imaging approach was minimally destructive for reproducible and accurate comparison of three-dimensional bone ultrastructure. Such methods, coupled with multidisciplinary analyses, enable diverse studies of bone biology, life history, and evolution using museum collections.

ВПЛИВ ПОЛЯРНОГО ТА ЕКВАТОРІАЛЬНОГО ДЕМПФУЮЧИХ МОМЕНТІВ СНАРЯДА НА ДАЛЬНІСТЬ ЙОГО ПОЛЬОТУ

A relevant and important issue in the calculation of projectile flight trajectories is the definition and presentation of the equatorial and polar damping moments in the system of differential equations of spatial motion of projectiles. It is shown that the damping moments are determined by the shape and orientation of the projectile, the nature of the flow, the type of boundary layer and its interaction with shock waves, the speed, the height of the projectile and its nutation angle. To evaluate the influence of the aerodynamic coefficients of the equatorial and polar damping moments (their aerodynamic coefficients) on the flight range of the projectile, the method of differences is used, which consists in solving the system of differential equations of the spatial motion of the projectile so that changing the value of the aerodynamic coefficient results in a change in the flight range. Numerical modeling of the dependence of the flight range of the 155-mm HE Assegai M2000 projectile on the change in the aerodynamic coefficients of the equatorial and polar damping moments by 1% was carried out. It is shown that the aerodynamic coefficient of the polar damping moment creates the largest errors in the range at the maximum and minimum charges, namely, at the maximum charge the error reaches 0.012%D, at the minimum charge – 0.01%D, the effect on intermediate charges is manifested in a much smaller form, and not exceeds the value of 0.005%D. The largest error in the flight range of the projectile from the aerodynamic coefficient of the equatorial damping moment is observed at the maximum charge, the deviation reaches 0.07%D, the smallest error at the minimum charge is 0.0001%D. The obtained results make it possible to estimate the required accuracy of determining the aerodynamic coefficients of the equatorial and polar damping moments under different firing conditions of artillery systems.

Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids

Viscosity is one of the most important fundamental properties of fluids. However, accurate acquisition of viscosity for ionic liquids (ILs) remains a critical challenge. In this study, an approach integrating prior physical knowledge into the machine learning (ML) model was proposed to predict the viscosity reliably. The method was based on 16 quantum chemical descriptors determined from the first principles calculations and used as the input of the ML models to represent the size, structure, and interactions of the ILs. Three strategies based on the residuals of the COSMO-RS model were created as the output of ML, where the strategy directly using experimental data was also studied for comparison. The performance of six ML algorithms was compared in all strategies, and the CatBoost model was identified as the optimal one. The strategies employing the relative deviations were superior to that using the absolute deviation, and the relative ratio revealed the systematic prediction error of the COSMO-RS model. The CatBoost model based on the relative ratio achieved the highest prediction accuracy on the test set (R2 = 0.9999, MAE = 0.0325), reducing the average absolute relative deviation (AARD) in modeling from 52.45 % to 1.54 %. Features importance analysis indicated the average energy correction, solvation-free energy, and polarity moment were the key influencing the systematic deviation.

Exploring Accurate Invariants on Polar Harmonic Fourier Moments in Polar Coordinates for Robust Image Watermarking

Exploring Accurate Invariants on Polar Harmonic Fourier Moments in Polar Coordinates for Robust Image Watermarking

Potential Effects of an Exoskeleton-Assisted Overground Walking Program for Individuals With Spinal Cord Injury Who Uses a Wheelchair on Imaging and Serum Markers of Bone Strength: Pre-Post Study.

As many as 60% of individuals use a wheelchair long term after a spinal cord injury (SCI). This mode of locomotion leads to chronic decline in lower-extremity weight-bearing activities and contributes to the development of severe sublesional osteoporosis and high rates of fragility fracture. Overground exoskeleton-assisted walking programs provide a novel opportunity to increase lower-extremity weight bearing, with the potential to improve bone health. The aim of the study is to measure the potential effects of an exoskeleton-assisted walking program on lower-extremity bone strength and bone remodeling biomarkers in individuals with chronic (≥18 months) SCI who use a wheelchair. In total, 10 participants completed a 16-week exoskeleton-assisted walking program (34 individualized 1-hour sessions, progressing from 1 to 3 per week). Bone mineral density and bone strength markers (dual-energy x-ray absorptiometry: total body, left arm, leg, total hip, and femoral neck and peripheral quantitative computed tomography: 25% of left femur and 66% of left tibia) as well as bone remodeling biomarkers (formation=osteocalcin and resorption=C-telopeptide) were measured before and after intervention and compared using nonparametric tests. Changes were considered significant and meaningful if the following criteria were met: P<0.1, effect size ≥0.5, and relative variation >5%. Significant and meaningful increases were observed at the femur (femoral neck bone mineral content, bone strength index, and stress-strain index) and tibia (cortical cross-sectional area and polar moment of inertia) after the intervention (all P<.10). We also noted a decrease in estimated femoral cortical thickness. However, no changes in bone remodeling biomarkers were found. These initial results suggest promising improvements in bone strength markers after a 16-week exoskeleton-assisted walking program in individuals with chronic SCI. Additional research with larger sample sizes, longer interventions (possibly of greater loading intensity), and combined modalities (eg, pharmacotherapy or functional electrical stimulation) are warranted to strengthen current evidence. ClinicalTrials.gov NCT03989752; https://clinicaltrials.gov/ct2/show/NCT03989752. RR2-10.2196/19251.

Theoretical Study on ORR/OER Bifunctional Catalytic Activity of Axial Functionalized Iron Polyphthalocyanine.

Designing efficient ORR/OER bifunctional electrocatalysts is very significant for reducing energy consumption and environmental protection. Hence, we studied the ORR/OER bifunctional catalytic activity of iron polyphthalocyanine (FePPc) coordinated by a series of axial ligands which has different electronegative coordination atom (FePPc-L) (L = -CN, -SH, -SCH3, -SC2H5, -I, -Br, -NH2, -Cl, -OCH3, -OH, and -F) in alkaline medium by DFT calculations. Among all FePPc-L, FePPc-CN, FePPc-SH, FePPc-SCH3, and FePPc-SC2H5 exhibit excellent ORR/OER bifunctional catalytic activities. Their ORR/OER overpotential is 0.256 V/0.234 V, 0.278 V/0.256 V, 0.280 V/0.329 V, and 0.290 V/0.316 V, respectively, which are much lower than that of the FePPc (0.483 V/0.834 V). The analysis of the electronic structure of the above catalysts shows that the electronegativity of the coordination atoms in the axial ligand is small, resulting in less distribution of dz2, dyz, and dxz orbitals near Ef, weak orbital polarization, small charge and magnetic moment of the central Fe atom, and weak adsorption strength for *OH. All these prove that the introduction of axial ligands with appropriate electronegativity coordinating atoms can adjust the adsorption of catalyst to intermediates and modify the ORR/OER bifunctional catalytic activities. This is an effective strategy for designing efficient ORR/OER bifunctional electrocatalysts.