Absolute and Relative Agreement Between Radiographic and Sonographic Calcaneal Ossification Staging: A Pilot Study.

Background: Radiographic evaluations are commonly used to determine calcaneal ossification staging throughout pediatric development. Sonographic imaging may offer a less expensive, noninvasive, clinically feasible option for calcaneal developmental assessments. Here, we assessed (1) inter-rater agreement of radiographic and sonographic calcaneal ossification staging of children and adolescent patients with Sever's disease and (2) agreement between radiographic and sonographic calcaneal ossification staging scores.

New records of birds from Central Vietnam.

Background: There has been a series of bird surveys conducted in Vietnam over the last 20 years. However, most of these studies and surveys have focused on sites in Tonkin, the Red River Delta, Cochinchina (Mekong Delta), the Central Highlands and mountainous areas of Central Annam (Central region of Vietnam). The central coastal plain as well as the mountainous region of North Annam have rarely been comprehensively investigated.

Protocol and validity testing of femoroacetabular posterior translation with dynamic hip ultrasonography.

Objective: To describe femoroacetabular posterior translation (FAPT) using dynamic hip ultrasonography (DHUS), and to determine the inter- and intra-rater reliability of hip ultrasound measurements of FAPT.

Materials And Methods: The study design was a feasibility study of 13 healthy young adults (26 hips) using test-retest analysis. The data was collected prospectively over a 2-week time period.

MetaAttention model: a new approach for skin lesion diagnosis using AB features and attention mechanism.

Ozone depletion has always been a hot crisis around the globe. Its consequence is the increase in ultraviolet radiation at the surface in many regions and countries, which then causes danger to the human immune system, eyes, and especially skin - the part that is directly exposed most to the sunlight. According to the World Health Organization, the number of cases of skin cancer is higher than that of breast, prostate, and lung cancer combined.

Exploration of glassy state in Prussian blue analogues.

Prussian blue analogues (PBAs) are archetypes of microporous coordination polymers/metal-organic frameworks whose versatile composition allows for diverse functionalities. However, developments in PBAs have centred solely on their crystalline state, and the glassy state of PBAs has not been explored. Here we describe the preparation of the glassy state of PBAs via a mechanically induced crystal-to-glass transformation and explore their properties.

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions.

Identifying collective variables (CVs) for chemical reactions is essential to reduce the 3-dimensional energy landscape into lower dimensional basins and barriers of interest. However, in condensed phase processes, the nonmeaningful motions of bulk solvent often overpower the ability of dimensionality reduction methods to identify correlated motions that underpin collective variables. Yet solvent can play important indirect or direct roles in reactivity, and much can be lost through treatments that remove or dampen solvent motion.

Current Recommendations on Returning to Youth Sports After COVID-19 Infection.

Children represent a small fraction of total cumulative cases of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. The potential health consequences related to infection for children are not inconsequential. For example, some may develop multisystem inflammatory syndrome in children, which is commonly associated with cardiovascular involvement.

Femoral Injury Over the Site of Spontaneous Regression of an Osteochondroma in a Teenage Athlete.

The spontaneous regression of an osteochondroma is extremely rare. We report a case of medial femoral condyle impaction fracture over the site of spontaneous regression of a pedunculated osteochondroma discovered on advanced imaging after an acute injury in a 16-year-old male American football athlete. Although spontaneous regression of an osteochondroma has been described, the case presented reveals questions regarding resultant architectural changes to the bone after resorption, leaving it prone to injury.

Platelet rich plasma for hallux sesamoid injuries: a case series.

Objective: Hallux sesamoid injuries are well described and can be debilitating and chronically disabling. The role of orthobiologics such as platelet-rich plasma (PRP) in sesamoid injuries has not been reported. This study describes three cases of recalcitrant hallux sesamoid injuries in teenage athletes who returned to impact activities, pain free, following one treatment of PRP.

Ensemble effects on allylic oxidation within explicit solvation environments.

Umbrella-sampling density functional theory molecular dynamics (DFT-MD) has been employed to study the full catalytic cycle of the allylic oxidation of cyclohexene using a Cu(ii) 7-amino-6-((2-hydroxybenzylidene)amino)quinoxalin-2-ol complex in acetonitrile to create cyclohexenone and H2O as products. After the initial H-atom abstraction step, two different reaction pathways have been identified that are distinguished by the participation of alkyl hydroperoxide (referred to as the "open" cycle) versus the methanol side-product (referred to as the "closed" cycle) within the catalyst recovery process. Importantly, both pathways involve dehydrogenation and re-hydrogenation of the -NH2 group bound to the Cu-site - a feature that is revealed from the ensemble sampling of configurations of the reactive species that are stabilized within the explicit solvent environment of the simulation.

Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation.

The two dissociation channels of HOOH, namely, HOOH and HOOH, in water and methanol are investigated using umbrella-sampling ab initio molecular dynamics. Our potential of mean force calculations reveals the HOOH dissociation to be more favorable in methanol with a free energy barrier of 7.56 kcal/mol, while the HOOH dissociation possesses a free energy barrier of 11.

Point-of-Care Ultrasound, the New Musculoskeletal Physical Examination.

The availability of handheld ultrasound offers physicians an opportunity to better define anatomy and pathophysiology, thus enhancing the diagnostic capabilities of a standard physical examination. The medical community increasingly embraces the potential for point-of-care ultrasound across medical specialties. The primary aim of this review was to identify and compile information on the current clinical utility of point-of-care ultrasound for musculoskeletal examination.

Reaction probability and kinetics of water splitting on the penta-NiAs monolayer from an ab initio molecular dynamics investigation.

The reaction probability and kinetics of the water splitting process on the penta-NiAs2 monolayer are studied using ab initio molecular dynamics simulations. A total of 100 trajectories are investigated, in which a H2O molecule is set to strike the surface with a translational energy of 1 eV or 2 eV. The results show that the NiAs2 monolayer is an excellent candidate for the activation of water splitting with a reaction probability of 94% for both energy levels.

Induced Magnetism of the MoS Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Collision Dynamics Investigation.

The source of induced magnetism in the MoS monolayer induced by transition metal (Fe/Ni) collision is investigated using nonadiabatic ab inito molecular dynamics simulations that take into account high-spin and low-spin energy states during trajectory integration. By considering various metal firing angles, a strong interaction between the Fe/Ni atom and the MoS surface can be observed because of enormous increase in the kinetic energy of the metal atom. When firing along the Mo-S bond, the Fe bullet is pulled more strongly than when firing along the S-Mo-S bisector.

Obturator internus muscle strain in an adolescent skier.

There are many causes of acute hip pain. Obturator internus (OI) muscle strain is a rare cause of the presentation. We report a case of OI muscle strain in a 15-year-old ski racer who presented with new onset acute right hip pain.

Effectiveness of sofosbuvir based direct-acting antiviral regimens for chronic hepatitis C virus genotype 6 patients: Real-world experience in Vietnam.

Background: Hepatitis C virus (HCV) genotype 6 is the commonest cause of chronic hepatitis C infection in much of southeast Asia, but data on the effectiveness of direct-acting antiviral agents (DAAs) against this genotype are limited. We conducted a retrospective cohort study of patients attending the Hospital for Tropical Diseases (HTD), Ho Chi Minh City, Vietnam, to define the effectiveness of DAAs in the treatment of chronic HCV genotype 6 in actual practice.

Methods: We included all patients with genotype 6 infections attending our hospital between March 2016 and October 2017 who received treatment with sofosbuvir-based DAA treatment regimens, and compared their responses with those with genotype 1 infections.

Insight into the adsorption mechanisms of methylene blue and chromium(iii) from aqueous solution onto pomelo fruit peel.

In this study, the biosorption mechanisms of methylene blue (MB) and Cr(iii) onto pomelo peel collected from our local fruits are investigated by combining experimental analysis with simulations. Factors that affect the adsorption such as pH, adsorption time, adsorbent dosage and initial adsorbate concentration, are fully considered. Five isotherm models-Langmuir, Freundlich, Sips, Temkin, and Dubinin-Radushkevich-are employed to estimate the capacity of pomelo peel adsorption, whereas four kinetic models-pseudo-first-order, pseudo-second-order, Elovich and intra-diffusion models-are also used to investigate the mechanisms of the uptake of MB and Cr(iii) onto the pomelo fruit peel.

A proton transfer mechanism along the PO anion chain in the [Zn(HPO)(HPO)] coordination polymer.

In this study, we revisit the proton transfer mechanism in [Zn(HPO4)(H2PO4)]2-, a coordination polymer possessing high proton conductivity. In a previous report [N. Phattharasupakun, J.

Monitoring Mechanical, Electronic, and Catalytic Trends in a Titanium Metal Organic Framework Under the Influence of Guest-Molecule Encapsulation Using Density Functional Theory.

In this study, we conduct a density functional theory investigation to study the mechanical stability of a titanium-based metal organic framework (MOF-901), which was hypothetically assumed to possess 2D characteristics. It is systematically found that the encapsulation of methanol enhances the mechanical stability of MOF-901 as the elastic tensors C of MOF-901∙nMeOH are higher than the corresponding C quantities reported for solvent-free MOF-901. Moreover, the 2D characteristics of MOF-901 is confirmed by verifying the negative values of C.

Correction: Penetrating probability and cross section of the Li-C encapsulation process through an ab initio molecular dynamics investigation.

Correction for 'Penetrating probability and cross section of the Li-C encapsulation process through an ab initio molecular dynamics investigation' by Thi H. Ho et al., Phys.

Penetrating probability and cross section of the Li-C encapsulation process through an ab initio molecular dynamics investigation.

The endohedral complex system of Li-C has been shown to possess interesting applications in photovoltaics, supramolecular chemistry, and functionalized materials. In this study, we perform a theoretical investigation of Li encapsulation within a C cage by employing an ab initio molecular dynamics approach. The Li cation is positioned 9 Å away from the C center of mass, and fired towards a randomized spot in a six-membered ring with a certain level of inletting energy, which is 7.

Atomistic observation of the collision and migration of Li on MoSe and WS surfaces through ab initio molecular dynamics.

We present in this study a theoretical investigation of the collision of Li with the MX surface (MoSe or WS) by employing the Born-Oppenheimer molecular dynamics (MD) approach. In each trajectory, atomic Li is fired toward the two-dimensional monolayer with an inletting kinetic energy of 0.2 eV or 2.

Evaluation of stress experienced by pharmacy residents.

Purpose: Results of a study of stress and negative affect levels in postgraduate year 1 (PGY1) and postgraduate year 2 (PGY2) pharmacy residents are presented.

Methods: A cross-sectional approach was used. Pharmacy residency program directors received e-mailed invitation letters requesting that they ask their residents to participate in an online survey in 2011.