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Particle methods based on evolving the spatial derivatives of the solution were originally introduced to simulate reaction-diffusion processes, inspired by vortex methods for the Navier–Stokes equations. Such methods, referred to as gradient random walk methods, were extensively studied in the '90s and have several interesting features, such as being grid-free, automatically adapting to the solution by concentrating elements where the gradient is large, and significantly reducing the variance of the standard random walk approach. In this work, we revive these ideas by showing how to generalize the approach to a larger class of partial differential equations, including hyperbolic systems of conservation laws. To achieve this goal, we first extend the classical Monte Carlo method to relaxation approximation of systems of conservation laws, and subsequently consider a novel particle dynamics based on the spatial derivatives of the solution. The methodology, combined with asymptotic-preserving splitting discretization, yields a way to construct a new class of gradient-based Monte Carlo methods for hyperbolic systems of conservation laws. Several results in one spatial dimension for scalar equations and systems of conservation laws show that the new methods are very promising and yield remarkable improvements compared to standard Monte Carlo approaches, either in terms of variance reduction as well as in describing the shock structure. [ABSTRACT FROM AUTHOR]

This study assessed the impact of body mass index (BMI) and socioeconomic status (SES) on the Zurich Neuromotor Assessment, second version (ZNA-2), a battery of tests of motor development in typically developing children between 3 and 18 years of age. BMI measurements and international socio-economic index data were taken from the normative sample of the ZNA-2 for 321 children (158 boys, 163 girls) with a median age of 9.3 years. The age- and gender-adjusted motor performance of these children was quantified and grouped into five components: fine, pure, and gross motor tasks, static balance, and contralateral associated movements. A total score was also calculated. The associations of BMI and SES with the motor scores contribute to less than 5.1% of the total variance. Conclusion: The ZNA-2 for motor development is suitable for measuring motor abilities' development as it is largely independent of the BMI of the child and the SES of the family. What is Known: • Typical motor development, as measured with the Zurich Neuromotor Assessment, second edition (ZNA-2), is strongly dependent on age and gender. • The ZNA-2 focusses on motor performance, motor quality and simple motor skills. What is New: • Higher socio-economic status (SES) is associated with slightly better motor performance as measured by the ZNA-2 total score. • In the ZNA-2 less than 5.1% of the variability in motor performance is attributable to the combined effect of body mass index and SES. [ABSTRACT FROM AUTHOR]

Copyright of Forensische Psychiatrie, Psychologie, Kriminologie is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

There is a need for a quick, qualitative, reliable, and easy tool to assess gross motor development for practitioners. The aim of this cross-sectional study is to present the Zurich Neuromotor Assessment-Q (ZNA-Q), which assesses static and dynamic balance in children between 3 and 6 years of age in less than 5 min. A total of 216 children (103 boys; 113 girls; median age 4 years, 4 months; interquartile range 1 year, 3 months) were enrolled from day-care centers, kindergartens, and schools, and were tested with 5 different gross motor tasks: standing on one leg, tandem stance, hopping on one leg, walking on a straight line, and jumping sideways. All ordinal measures (consisting of qualitative measures and scales) featured a marked developmental trend and substantial inter-individual variability. Test-retest reliability was assessed on 37 children. It varied from .17 for tandem stance to .43 for jumping sideways for the individual tasks, and it was .41 and .67 for the static and dynamic balance components, respectively. For the whole ZNA-Q, test-retest reliability was .7.Conclusion: Ordinal scales enable practitioners to gather data on children's gross motor development in a fast and uncomplicated way. It offers the practitioner with an instrument for the exploration of the current developmental motor status of the child. What is Known: • Measurement of gross motor skills in the transitional period between motor mile stones and quantitative assessments is difficult. • Assessment of gross motor skills is relatively easy. What is New: • Supplementary and quick gross motor test battery for children for practitioners. • Normative values of five gross motor skills measured with ordinal scales. [ABSTRACT FROM AUTHOR]

ADP-ribosylation is a posttranslational modification that exists in monomeric and polymeric forms. Whereas the writers (e.g. ARTD1/PARP1) and erasers (e.g. PARG, ARH3) of poly- ADP-ribosylation (PARylation) are relatively well described, the enzymes involved in mono- ADP-ribosylation (MARylation) have been less well investigated. While erasers for the MARylation of glutamate/aspartate and arginine have been identified, the respective enzymes with specificity for serine were missing. Here we report that, in vitro, ARH3 specifically binds and demodifies proteins and peptides that are MARylated. Molecular modeling and site-directed mutagenesis of ARH3 revealed that numerous residues are critical for both the mono- and the poly-ADP-ribosylhydrolase activity of ARH3. Notably, a mass spectrometric approach showed that ARH3-deficient mouse embryonic fibroblasts are characterized by a specific increase in serine-ADP-ribosylation in vivo under untreated conditions as well as following hydrogen peroxide stress. Together, our results establish ARH3 as a serine mono-ADP-ribosylhydrolase and as an important regulator of the basal and stress-induced ADP-ribosylome. [ABSTRACT FROM AUTHOR]

For this reason, our paper mentioned results from a post hoc analysis where we quantified the effect of BMI and SES separately in younger children (<=12 years) and in older children and adolescents (>12 years). Thank you for your interest in our article [[1]] on typically developing children and adolescents between 3 and 18 years of age, where we demonstrated that the norms for motor abilities' development as measured with the Zurich Neuromotor Assessment-2 (ZNA-2) were largely independent of BMI and SES. The effect of BMI and SES was then investigated on motor SDS (which do no longer depend on age or gender) rather than on raw motor scores (e.g., time performance, which do depend on both age and gender). [Extracted from the article]

We have recently developed a scalable algorithm for ordering the instantaneous observations of a dynamical system evolving continuously in time. Here, we apply the method to long molecular dynamics trajectories. The procedure requires only a pairwise, geometrical distance as input. Suitable annotations of both structural and kinetic nature reveal the free energy basins visited by biomolecules. The profile is supplemented by a trace of the temporal evolution of the system highlighting the sequence of events. We demonstrate that the resultant SAPPHIRE (States And Pathways Projected with HIgh REsolution) plots provide a comprehensive picture of the thermodynamics and kinetics of complex, molecular systems exhibiting dynamics covering a range of time and length scales. Information on pathways connecting states and the level of recurrence are quickly inferred from the visualisation. The considerable advantages of our approach are speed and resolution: the SAPPHIRE plot is scalable to very large data sets and represents every single snapshot. This minimizes the risk of missing states because of overlap or prior coarse-graining of the data. [ABSTRACT FROM AUTHOR]

A letter to the editor is presented regarding the molecular mechanism-of-action and specificity of the JAK2 tyrosine kinase inhibitors ruxolitinib and SAR302503.

ADP-ribosylation is an important post-translational protein modification (PTM) that regulates diverse biological processes. ADP-ribosyltransferase diphtheria toxin-like 10 (ARTD10, also known as PARP10) mono-ADP-ribosylates acidic side chains and is one of eighteen ADP-ribosyltransferases that catalyze mono- or poly-ADP-ribosylation of target proteins. Currently, no enzyme is known that reverses ARTD10-catalyzed mono-ADP-ribosylation. Here we report that ARTD10-modified targets are substrates for the macrodomain proteins MacroD1, MacroD2 and C6orf130 from Homo sapiens as well as for the macrodomain protein Af1521 from archaebacteria. Structural modeling and mutagenesis of MacroD1 and MacroD2 revealed a common core structure with Asp102 and His106 of MacroD2 implicated in the hydrolytic reaction. Notably, MacroD2 reversed the ARTD10-catalyzed, mono-ADP-ribose-mediated inhibition of glycogen synthase kinase 3β (GSK3β) in vitro and in cells, thus underlining the physiological and regulatory importance of mono-ADP-ribosylhydrolase activity. Our results establish macrodomain-containing proteins as mono-ADP-ribosylhydrolases and define a class of enzymes that renders mono-ADP-ribosylation a reversible modification. [ABSTRACT FROM AUTHOR]

Phenylketonuria (PKU) is characterized by phenylalanine accumulation and progressive mental retardation caused by an unknown mechanism. We demonstrate that at pathological concentrations, phenylalanine self-assembles into fibrils with amyloid-like morphology and well-ordered electron diffraction. These assemblies are specifically recognized by antibodies, show cytotoxicity that can be neutralized by the antibodies and are present in the hippocampus of model mice and in parietal cortex brain tissue from individuals with PKU. This is, to our knowledge, the first demonstration that a single amino acid can form amyloid-like deposits, suggesting a new amyloidosis-like etiology for PKU. [ABSTRACT FROM AUTHOR]

In this paper nonlocal boundary conditions for the Navier-Stokes equations are derived, starting from the Boltzmann equation in the limit for the Knudsen number being vanishingly small. In the same spirit of (Lombardo et al. in J. Stat. Phys. 130:69-82, ) where a nonlocal Poisson scattering kernel was introduced, a gaussian scattering kernel which models nonlocal interactions between the gas molecules and the wall boundary is proposed. It is proved to satisfy the global mass conservation and a generalized reciprocity relation. The asymptotic expansion of the boundary-value problem for the Boltzmann equation, provides, in the continuum limit, the Navier-Stokes equations associated with a class of nonlocal boundary conditions of the type used in turbulence modeling. [ABSTRACT FROM AUTHOR]

Female genital mutilation (FGM) is defined as an injury of the external female genitalia for cultural or non-therapeutic reasons. FGM is mainly performed in sub-Saharan and Eastern Africa. The western health care systems are confronted with migrants from this cultural background. The aim is to offer information on how to approach this subject. The degree of FGM can vary from excision of the prepuce and clitoris to infibulation. Infections, urinary retention, pain, lesions of neighbouring organs, bleeding, psychological trauma and even death are possible acute complications. The different long-term complications include the risk of reduced fertility and difficulties during labour, which are key arguments against FGM in the migrant community. Paediatricians often have questions on how to approach the subject. With an open, neutral approach and basic knowledge, discussions with parents are constructive. Talking about the newborn, delivery or traditions may be a good starting point. Once they feel accepted, they speak surprisingly openly. FGM is performed out of love for their daughters. We have to be aware of their arguments and fears, but we should also stress the parents’ responsibility in taking a health risk for their daughters. It is important to know the family’s opinion on FGM. Some may need support, especially against community pressure. As FGM is often performed on newborns or at 4–9 years of age, paediatricians should have an active role in the prevention of FGM, especially as they have repeated close contact with those concerned and medical consequences are the main arguments against FGM. [ABSTRACT FROM AUTHOR]

In this paper we study the interaction of a fluid with a wall in the framework of the kinetic theory. We consider the possibility that the fluid molecules can penetrate the wall to be reflected by the inner layers of the wall. This results in a scattering kernel which is a non-local generalization of the classical Maxwell scattering kernel. The proposed scattering kernel satisfies a global mass conservation law and a generalized reciprocity relation. We study the hydrodynamic limit performing a Knudsen layer analysis, and derive a new class of (weakly) nonlocal boundary conditions to be imposed to the Navier–Stokes equations. [ABSTRACT FROM AUTHOR]

In this paper, we present a level set approach for the modeling of dendritic solidification. These simulations exploit a recently developed second order accurate symmetric discretization of the Poisson equation, see [12]. Numerical results indicate that this method can be used successfully on complex interfacial shapes and can simulate many of the physical features of dendritic solidification. We apply this algorithm to the simulation of the dendritic crystallization of a pure melt and find that the dendrite tip velocity and tip shapes are in excellent agreement with solvability theory. Numerical results are presented in both two and three spatial dimensions. [ABSTRACT FROM AUTHOR]

Inhibition of dimerization to the active form of the HIV-1 aspartic proteinase (HIV-1 PR) may be a way to decrease the probability of escape mutations for this viral protein. The Multiple Copy Simultaneous Search (MCSS) methodology was used to generate functionality maps for the dimerization interface of HIV-1 PR. The positions of the MCSS minima of 19 organic fragments, once postprocessed to take into account solvation effects, are in good agreement with experimental data on peptides that bind to the interface. The MCSS minima combined with an approach for computational combinatorial ligand design yielded a set of modified HIV-1 PR C-terminal peptides that are similar to known nanomolar inhibitors of HIV-1 PR dimerization. A number of N-substituted 2,5-diketopiperazines are predicted to be potential dimerization inhibitors of HIV-1 PR. [ABSTRACT FROM AUTHOR]

This is the first of two papers on the zero-viscosity limit for the incompressible Navier-Stokes equations in a half-space. In this paper we prove short time existence theorems for the Euler and Prandtl equations with analytic initial data in either two or three spatial dimensions. The main technical tool in this analysis is the abstract Cauchy-Kowalewski theorem. For the Euler equations, the projection method is used in the primitive variables, to which the Cauchy-Kowalewski theorem is directly applicable. For the Prandtl equations, Cauchy-Kowalewski is applicable once the diffusion operator in the vertical direction is inverted. [ABSTRACT FROM AUTHOR]

This is the second of two papers on the zero-viscosity limit for the incompressible Navier-Stokes equations in a half-space in either 2D or 3D. Under the assumption of analytic initial data, we construct solutions of Navier-Stokes for a short time which is independent of the viscosity. The Navier-Stokes solution is constructed through a composite asymptotic expansion involving the solutions of the Euler and Prandtl equations, which were constructed in the first paper, plus an error term. This shows that the Navier-Stokes solution goes to an Euler solution outside a boundary layer and to a solution of the Prandtl equations within the boundary layer. The error term is written as a sum of first order Euler and Prandtl corrections plus a further error term. The equation for the error term is weakly nonlinear; its linear part is the time dependent Stokes equation. This error equation is solved by inversion of the Stokes equation, through expressing the solution as a regular (Euler-like) part plus a boundary layer (Prandtl-like) part. The main technical tool in this analysis is the Abstract Cauchy-Kowalewski Theorem. [ABSTRACT FROM AUTHOR]

For weak solutions of the incompressible Euler equations, there is energy conservation if the velocity is in the Besov space B 3 s with s greater than 1/3. B 3 s consists of functions that are Lip(s) (i.e., Hölder continuous with exponent s) measured in the L p norm. Here this result is applied to a velocity field that is Lip(α0) except on a set of co-dimension on which it is Lip($agr;1), with uniformity that will be made precise below. We show that the Frisch-Parisi multifractal formalism is valid (at least in one direction) for such a function, and that there is energy conservation if . Analogous conservation results are derived for the equations of incompressible ideal MHD (i.e., zero viscosity and resistivity) for both energy and helicity . In addition, a necessary condition is derived for singularity development in ideal MHD generalizing the Beale-Kato-Majda condition for ideal hydrodynamics. [ABSTRACT FROM AUTHOR]

Analysis and computations are presented for singularities in the solution of the steady Boussinesq equations for two-dimensional, stratified flow. The results show that for codimension 1 singularities, there are two generic singularity types for general solutions, and only one generic singularity type if there is a certain symmetry present. The analysis depends on a special choice of coordinates, which greatly simplifies the equations, showing that the type is exactly that of one dimensional Legendrian singularities, generalized so that the velocity can be infinite at the singularity. The solution is viewed as a surface in an appropriate compactified jet space. Smoothness of the solution surface is proved using the Cauchy-Kowalewski Theorem, which also shows that these singularity types are realizable. Numerical results from a special, highly accurate numerical method demonstrate the validity of this geometric analysis. A new analysis of general Legendrian singularities with blowup, i.e., at which the derivative may be infinite, is also presented, using projective coordinates. [ABSTRACT FROM AUTHOR]

Copyright of Monatsschrift Kinderheilkunde is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

For the Broadwell model of the nonlinear Boltzmann equation, there are shock profile solutions, i.e. smooth traveling waves that connect two equilibrium states. For weak shock waves, we prove asymptotic (in time) stability with respect to small perturbations of the initial data. Following the work of Liu [7] on shock wave stability for viscous conservation laws, the method consists of analyzing the solution as the sum of a shock wave, a diffusive wave, a linear hyperbolic wave and an error term. The diffusive and linear hyperbolic waves are approximate solutions of the fluid dynamic equations corresponding to the Broadwell model. The error term is estimated using a variation of the energy estimates of Kawashima and Matsumura [6] and the characteristic energy method of Liu [7]. [ABSTRACT FROM AUTHOR]

Shock waves in gas dynamics can be described by the Euler Navier-Stokes, or Boltzmann equations. We prove the existence of shock profile solutions of the Boltzmann equation for shocks which are weak. The shock is written as a truncated expansion in powers of the shock strength, the first two terms of which come exactly from the Taylor tanh ( x) profile for the Navier-Stokes solution. The full solution is found by a projection method like the Lyapunov-Schmidt method as a bifurcation from the constant state in which the bifurcation parameter is the difference between the speed of sound c and the shock speed s. [ABSTRACT FROM AUTHOR]

The results of Part I are extended to include linear spatially periodic problems-solutions of the initial value are shown to exist and decay like $$e^{ - \lambda t^\beta } $$ . Then the full non-linear Boltzmann equation with a soft potential is solved for initial data close to equilibrium. The non-linearity is treated as a perturbation of the linear problem, and the equation is solved by iteration. [ABSTRACT FROM AUTHOR]

Simulations to study protein unfolding and folding were performed. The unfolding simulations make use of molecular dynamics and treat an atomic model of barnase in aqueous solvent. The cooperative nature of the unfolding transition and the important role of water are described. The folding simulations are based on a bead model of the protein on a cubic lattice. It is shown for the 27-mer model that a large energy gap between the lowest energy (native) state and the excited states is a necessary and sufficient condition for fast folding. [ABSTRACT FROM AUTHOR]

The influence of carbonic anhydrase inhibition with benzolamide on proximal tubular and peritubular capillary pH was evaluated in the rat using a glass-membrane pH microelectrode. Control peritubular capillary pH, 7.38±.02 (N=11), was significantly lower than control arterial pH, 7.44±.01, p<.05. Early proximal tubular pH, 7.20±.02 (N=17), was more alkaline than late proximal tubular pH, 6.74±.06 (N=13), p<.001; pH at both sites was more acid than in the peritubular capillary, p<.001. Benzolamide treatment had no detectable effect on arterial or peritubular capillary pH, but reduced early proximal tubular pH by 0.54 pH units, to 6.66±.04 (N=13), p<.001. Late proximal pH also fell slightly to 6.57±.03 (N=14), p<.02. These results support previous observations indicating that benzoamide treatment decreases early proximal tubular pH dramatically, and provide further evidence that HCO reabsorption is accomplished by hydrogen ion secretion in the proximal tubule. [ABSTRACT FROM AUTHOR]

An improved pCO microelectrode has been evaluated and used to investigate whether a significant barrier to diffusion of CO exists in the rabbit pancreas. The results of this study show the improved Carter and Caflisch pCO microelectrode to be an accurate and reliable tool for measuring pancreatic venous and ductal pCO. The similarities between pCO values from the pancreatic ducts and small pancreatic veins suggest that there is no barrier to CO diffusion between small veins and exocrine ducts in the rabbit pancreas, and that ductal pCO is probably strongly influenced by the CO tension of the small pancreatic blood vessels. [ABSTRACT FROM AUTHOR]

N,N-Dimethylacetamide (DMA) is a water-miscible solvent, FDA approved as excipient and therefore widely used as drug-delivery vehicle. As such, DMA should be devoid of any bioactivity. Here we report that DMA is epigenetically active since it binds bromodomains and inhibits osteoclastogenesis and inflammation. Moreover, DMA enhances bone regeneration in vivo. Therefore, our in vivo and in vitro data reveal DMA's potential as an anti-osteoporotic agent via the inhibition of osteoclast mediated bone resorption and enhanced bone regeneration. Our results highlight the potential therapeutic benefits of DMA and the need for reconsideration of previous reports where DMA was used as an 'inactive' drug-delivery vehicle. [ABSTRACT FROM AUTHOR]

A letter to the editor is presented which proposes a computational, structure-based method called Concord/Poisson-Boltzmann surface area for estimation of the folding free energy of mutants.

The Guillain-Barré syndrome (GBS) is an immune-mediated disease often associated with viral or bacterial infections and with immunisation. IgM antibodies have been implicated as the main trigger event in GBS. So far, only four cases of GBS have been observed following immunisation with a conjugate vaccine against Haemophilus influenzae type b. We report another patient with GBS after this vaccination. We measured immunoglobulins against the H. influenzae type b polysaccharide (PRP) component of the vaccine. Surprisingly the anti-PRP IgM antibody level was markedly elevated (100 micrograms/ml) in the plasma of this patient. We speculate that an excessive anti-PRP IgM antibody response to the vaccine might be the cause of GBS. [ABSTRACT FROM AUTHOR]

Persisting cough developed in three children treated with converting enzyme inhibitors. The symptoms disappeared within 3-7 days after withdrawing medication. These observations in children complement previous reports in adults and indicate that cough may be induced by treatment with these agents. [ABSTRACT FROM AUTHOR]

Daily clinical practice of mental health professionals often requires interaction between providers from diverse training and professional backgrounds. Efforts to engage mental health trainees across disciplines are necessary and have had varied outcomes. The current study reviews the development and implementation of a monthly one-hour integrated case presentation seminar (ICPS) as part of independent psychology and psychiatry two-year fellowships at a Midwestern teaching hospital. The training integrated a semi-structured seminar to facilitate case presentation within a group setting. The focus of the seminar was to allow for exposure to conceptualization, diagnostic, and treatment strategies and skills, as well as science-based practice techniques for trainees. Learner survey results and the sustained offering of the seminar suggest the format and goals of the seminar are feasible and acceptable. Based on the current preliminary findings, similar training programs may find benefit in strategies to enhance integrated training opportunities for psychiatry and psychology trainees. [ABSTRACT FROM AUTHOR]