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As with typically developing children, children with cerebral palsy and autism spectrum disorder develop important socio‐emotional rapport with their parents and healthcare providers. However, the neural mechanisms underlying these relationships have been less studied. By simultaneously measuring the brain activity of multiple individuals, interbrain synchronization could serve as a neurophysiological marker of social–emotional responses. Music evokes emotional and physiological responses and enhances social cohesion. These characteristics of music have fostered its deployment as a therapeutic medium in clinical settings. Therefore, this study investigated two aspects of interbrain synchronization, namely, its phase and directionality, in child–parent (CP) and child–therapist (CT) dyads during music and storytelling sessions (as a comparison). A total of 17 participants (seven cerebral palsy or autism spectrum disorder children [aged 12–18 years], their parents, and three neurologic music therapists) completed this study, comprising seven CP and seven CT dyads. Each music therapist worked with two or three children. We found that session type, dyadic relationship, frequency band, and brain region were significantly related to the degree of interbrain synchronization and its directionality. Particularly, music sessions and CP dyads were associated with higher interbrain synchronization and stronger directionality. Delta (.5–4 Hz) range showed the highest phase locking value in both CP and CT dyads in frontal brain regions. It appears that synchronization is directed predominantly from parent to child, that is, parents and music therapists' brain activity tended to influence a child's. Our findings encourage further research into neural synchrony in children with disabilities, especially in musical contexts, and its implications for social and emotional development. [ABSTRACT FROM AUTHOR]

The aggregation in a solution of charged dyes such as Rhodamine B (RB) is significantly affected by the type of counterion, which can determine the self-assembled structure that in turn modulates the optical properties. RB aggregation can be boosted by hydrophobic and bulky fluorinated tetraphenylborate counterions, such as F5TPB, with the formation of nanoparticles whose fluorescence quantum yield (FQY) is affected by the degree of fluorination. Here, we developed a classical force field (FF) based on the standard generalized Amber parameters that allows modeling the self-assembling process of RB/F5TPB systems in water, consistent with experimental evidence. Namely, the classical MD simulations employing the re-parametrized FF reproduce the formation of nanoparticles in the RB/F5TPB system, while in the presence of iodide counterions, only RB dimeric species can be formed. Within the large, self-assembled RB/F5TPB aggregates, the occurrence of an H-type RB-RB dimer can be observed, a species that is expected to quench RB fluorescence, in agreement with the experimental data of FQY. The outcome provides atomistic details on the role of the bulky F5TPB counterion as a spacer, with the developed classical FF representing a step towards reliable modeling of dye aggregation in RB-based materials. [ABSTRACT FROM AUTHOR]

Shared emotional experiences during musical activities among musicians can be coupled with brainwave synchronization. For non-speaking individuals with CP, verbal communication may be limited in expressing mutual empathy. Therefore, this case study explored interbrain synchronization among a non-speaking CP (female, 18 yrs), her parent, and a music therapist by measuring their brainwaves simultaneously during four music and four storytelling sessions. In only the youth-parent dyad, we observed a significantly higher level of interbrain synchronization during music rather than story-telling condition. However, in both the youth-parent and youth-therapist dyad, regardless of condition type, significant interbrain synchronization emerged in frontal and temporal lobes in the low-frequency bands, which are associated with socio-emotional responses. Although interbrain synchronization may have been induced by multiple factors (e.g., external stimuli, shared empathetic experiences, and internal physiological rhythms), the music activity setting deserves further study as a potential facilitator of neurophysiological synchrony between youth with CP and caregivers/healthcare providers. [ABSTRACT FROM AUTHOR]

Aim: To assess the sensitivity and specificity of automated movement recognition in predicting motor impairment in high-risk infants.Method: We searched MEDLINE, Embase, PsycINFO, CINAHL, Web of Science, and Scopus databases and identified additional studies from the references of relevant studies. We included studies that evaluated automated movement recognition in high-risk infants to predict motor impairment, including cerebral palsy (CP) and non-CP motor impairments. Two authors independently assessed studies for inclusion, extracted data, and assessed methodological quality using the Quality Assessment of Diagnostic Accuracy Studies-2. Meta-analyses were performed using hierarchical summary receiver operating characteristic models.Results: Of 6536 articles, 13 articles assessing 59 movement variables in 1248 infants under 5 months corrected age were included. Of these, 143 infants had CP. The overall sensitivity and specificity for motor impairment were 0.73 (95% confidence interval [CI] 0.68-0.77) and 0.70 (95% CI 0.65-0.75) respectively. Comparatively, clinical General Movements Assessment (GMA) was found to have sensitivity and specificity of 98% (95% CI 74-100) and 91% (95% CI 83-93) respectively. Sensor-based technologies had higher specificity (0.88, 95% CI 0.80-0.93).Interpretation: Automated movement recognition technology remains inferior to clinical GMA. The strength of this study is its meta-analysis to summarize performance, although generalizability of these results is limited by study heterogeneity. [ABSTRACT FROM AUTHOR]

Liquid crystal phases formed by bent-shaped (or “banana”) molecules are currently of great interest. Here we investigate by Monte Carlo computer simulations the phases formed by rigid banana molecules modeled combining three Gay-Berne sites and containing either one central or two lateral and transversal dipoles. We show that changing the dipole position and orientation has a profound effect on the mesophase stability and molecular organization. In particular, we find a uniaxial nematic phase only for off-center dipolar models and tilted phases only for the one with terminal dipoles. [ABSTRACT FROM AUTHOR]

We have extended the chiral Gay–Berne (GB) pair potential of Memmer and co–workers [Liq. Cryst. (15), 345 (1993)] to the general case of biaxial ellipsoids, and we provide explicit expressions for the gradient and the torques to be used in molecular dynamics (MD) codes. To test our results against published results we have performed MD simulations of samples formed by N = 1024 uniaxial GB ellipsoids with constant volume, and we have studied how the thermotropic behavior is affected by particle chirality. We have run temperature scans starting from isotropic samples and found clear signatures of the spontaneous formation of both lower temperature blue and cholesteric phases. [ABSTRACT FROM AUTHOR]

By means of Monte Carlo simulations at constant pressure and temperature, the phase behaviour of pure systems of soft biaxial Gay-Berne ellipsoids, prototypical models for thermotropic mesogens, was determined as a function of temperature and three different pressures. To reduce the number of free shape and energy parameters to only one, the medium ellipsoid axis σx, particles possessing identical total volume and length σz were studied, with interactions parameterised in terms of products of axes lengths. The resulting phase diagrams present a variety of crystalline and liquid crystalline phases characterised by different biaxiality and preferential axis alignment, with GB particles behaving like rods for more elongated shapes, and like discs for more squashed ones. In agreement with previous simulation and theoretical studies using simpler models, the transition between rod to disc behaviour (and back) occurs approximately when the so-called dual-shape condition is reached, i.e. when σx = .... This shape ideally identifies also the position of a Landau point, in which at a specific temperature, isotropic, calamitic nematic, discotic nematic, and biaxial nematic may coexist, and hence a direct isotropic to biaxial nematic transition could in principle occur. We did not observe such event in our simulations. [ABSTRACT FROM AUTHOR]

Background: Dual task assessments, which simultaneously challenge and assess cognitive and motor performance, have been used to improve the assessment of athletes with sports-related concussions (SRC). Our lab created a Dual Task Screen (DTS) to evaluate athletes with SRCs, and we have established that it is a valid behavioral measure, as it consistently elicits poorer behavioral performance under dual, compared to single, task conditions. Here, we used a Neuroimaging-Compatible (NC) version of the DTS, named the NC-DTS, which uses portable functional near-infrared spectroscopy (fNIRS) to assess behavioral performance and neural recruitment during single and dual tasks. Our study objective was to evaluate healthy athletes and establish whether the NC-DTS is a valid dual task neurological assessment that can elicit different patterns of neural recruitment during dual versus single task conditions. Methods: Twenty-five healthy collegiate athletes completed the NC-DTS in a single laboratory visit. The NC-DTS includes a lower and upper extremity subtask; both include single motor, single cognitive, and dual task conditions. The NC-DTS was administered in a block design, where conditions (i.e., single motor, single cognitive, and dual task) were repeated five times to generate average behavioral performance and task-dependent neural recruitment in superficial cortical regions including: prefrontal cortex, bilateral primary motor and sensory cortices, and posterior parietal cortex. Neural recruitment was measured with fNIRS and quantified using oxygenated hemoglobin (HbO) and deoxygenated hemoglobin (HbR) metrics. A single-tailed, within subject t-test was used to compare average dual task behavioral performance to average single task behavioral performance. Pairwise comparisons, that were family-wise-error (FWE) corrected, were used to compare localized neural recruitment during dual versus single task conditions. Results: As observed in previous studies, the NC-DTS elicited significantly poorer behavioral performance under dual, compared to single, task conditions. Additionally, dual task conditions of the NC-DTS elicited significantly greater neural recruitment in regions of the brain associated with attention allocation and task-specific demands in three of four comparisons. Conclusions: These preliminary results suggest that the NC-DTS is a valid dual task neurological assessment which warrants future work using the NC-DTS to evaluate athletes with SRCs. [ABSTRACT FROM AUTHOR]

Background: The automatic analysis of facial expressions is an evolving field that finds several clinical applications. One of these applications is the study of facial bradykinesia in Parkinson's disease (PD), which is a major motor sign of this neurodegenerative illness. Facial bradykinesia consists in the reduction/loss of facial movements and emotional facial expressions called hypomimia. New method: In this work we propose an automatic method for studying facial expressions in PD patients relying on video-based. Methods: 17 Parkinsonian patients and 17 healthy control subjects were asked to show basic facial expressions, upon request of the clinician and after the imitation of a visual cue on a screen. Through an existing face tracker, the Euclidean distance of the facial model from a neutral baseline was computed in order to quantify the changes in facial expressivity during the tasks. Moreover, an automatic facial expressions recognition algorithm was trained in order to study how PD expressions differed from the standard expressions. Results: Results show that control subjects reported on average higher distances than PD patients along the tasks. Comparison with existing methods: This confirms that control subjects show larger movements during both posed and imitated facial expressions. Moreover, our results demonstrate that anger and disgust are the two most impaired expressions in PD patients. Conclusions: Contactless video-based systems can be important techniques for analyzing facial expressions also in rehabilitation, in particular speech therapy, where patients could get a definite advantage from a real-time feedback about the proper facial expressions/movements to perform. [ABSTRACT FROM AUTHOR]

• Speech perception produces within-task theta-gamma coupling. • Covert speech emphasizes beta and gamma frequency bands. • Covert speech gamma tends to couple with perception theta. • Theta and gamma bands may accommodate both within- and across-speech task encoding. • Covert speech EEG may be classifiable on the basis of EEG of perceived speech. Covert speech, the mental imagery of speaking, has been studied increasingly to understand and decode thoughts in the context of brain-computer interfaces. In studies of speech comprehension, neural oscillations are thought to play a key role in the temporal encoding of speech. However, little is known about the role of oscillations in covert speech. In this study, we investigated the oscillatory involvements in covert speech and speech perception. Data were collected from 10 participants with 64 channel EEG. Participants heard the words, 'blue' and 'orange', and subsequently mentally rehearsed them. First, continuous wavelet transform was performed on epoched signals and subsequently two-tailed t-tests between two classes (tasks) were conducted to determine statistical differences in frequency and time (t-CWT). In the current experiment, a task comprised speech perception or covert rehearsal of a word while a condition was the discrimination between tasks. Features were extracted using t-CWT and subsequently classified using a support vector machine. θ and γ phase amplitude coupling (PAC) was also assessed within tasks and across conditions between perception and covert activities (i.e. cross-task). All binary classifications accuracies (80–90%) significantly exceeded chance level, supporting the use of t-CWT in determining relative oscillatory involvements. While the perception condition dynamically invoked all frequencies with more prominent θ and α activity, the covert condition favoured higher frequencies with significantly higher γ activity than perception. Moreover, the perception condition produced significant θ - γ PAC, possibly corroborating a reported linkage between syllabic and phonemic sampling. Although this coupling was found to be suppressed in the covert condition, we found significant cross-task coupling between perception θ and covert speech γ. Covert speech processing appears to be largely associated with higher frequencies of EEG. Importantly, the significant cross-task coupling between speech perception and covert speech, in the absence of within-task covert speech PAC, seems to support the notion that the γ - and θ -bands reflect, respectively, shared and unique encoding processes across tasks. [ABSTRACT FROM AUTHOR]

We present a Monte Carlo simulation study of the phase behavior and molecular organizations observed in a system of nanoparticles constituted by a central spherical core with attached mesogenic groups, which we model with a set of suitable Gay–Berne units connected by flexible spacers. We show that the choice of radial or tangential orientation of the attached mesogenic groups with respect to the surface of the core is crucial for the resulting phase behavior. [ABSTRACT FROM PUBLISHER]

Abstract: We present a Monte Carlo simulation study of the phase behaviour and molecular organization of a system of fullerene-based mesogens, represented by a three-site model composed of a fullerene sphere and two mesogenic moieties rigidly attached to it. It is shown that a combination of suitably modified Lennard-Jones and Gay–Berne attractive–repulsive potentials allows a satisfactory qualitative modeling of the interactions between the fullerene derivatives under investigation. Indeed, simulation results show that, despite the crude representation of the molecular structure, our model generates nematic and smectic phases, thus accounting qualitatively for the basic experimental observations on the class of compounds considered. [Copyright &y& Elsevier]

We have simulated, using a Monte Carlo method, a system of apolar Gay–Berne discotic particles without dipoles and with two or three dipoles symmetrically embedded in the disc. The dipoleless system can form nematic and hexagonal columnar mesophases. Adding two in‐plane antiparallel radial dipoles has the effect of destabilizing the columnar ordering, in favour of a fully interdigitated arrangement of the molecular stacks, with strong correlations in the plane perpendicular to the director and large biaxiality. No columnar phase is observed for the systems with three planar radial dipoles with threefold symmetry up to very low temperatures. Finally, on decreasing the strength of the three dipoles, a columnar non‐interdigitated phase is observed. [ABSTRACT FROM AUTHOR]

We investigate the effect of an external field on transitions and structural organization in systems of Gay-Berne (GB) particles devoid of a nematic phase in zero field. We consider GB particles both without and with a transverse dipole and observe the induction of nonspontaneous nematic and other modifications of the orientational and positional order. [ABSTRACT FROM AUTHOR]

Background: Neurological disorders, such as stroke and chronic pain syndromes, profoundly impact independence and quality of life, especially when affecting upper extremity (UE) function. While conventional physical therapy has shown effectiveness in providing some neural recovery in affected individuals, there remains a need for improved interventions. Virtual reality (VR) has emerged as a promising technology-based approach for neurorehabilitation to make the patient's experience more enjoyable. Among VR-based rehabilitation paradigms, those based on fully immersive systems with headsets have gained significant attention due to their potential to enhance patient's engagement. Methods: This scoping review aims to investigate the current state of research on the use of immersive VR for UE rehabilitation in individuals with neurological diseases, highlighting benefits and limitations. We identified thirteen relevant studies through comprehensive searches in Scopus, PubMed, and IEEE Xplore databases. Eligible studies incorporated immersive VR for UE rehabilitation in patients with neurological disorders and evaluated participants' neurological and motor functions before and after the intervention using clinical assessments. Results: Most of the included studies reported improvements in the participants rehabilitation outcomes, suggesting that immersive VR represents a valuable tool for UE rehabilitation in individuals with neurological disorders. In addition, immersive VR-based interventions hold the potential for personalized and intensive training within a telerehabilitation framework. However, further studies with better design are needed for true comparison with traditional therapy. Also, the potential side effects associated with VR head-mounted displays, such as dizziness and nausea, warrant careful consideration in the development and implementation of VR-based rehabilitation programs. Conclusion: This review provides valuable insights into the application of immersive VR in UE rehabilitation, offering the foundation for future research and clinical practice. By leveraging immersive VR's potential, researchers and rehabilitation specialists can design more tailored and patient-centric rehabilitation strategies, ultimately improving the functional outcome and enhancing the quality of life of individuals with neurological diseases. [ABSTRACT FROM AUTHOR]

Although previous studies have highlighted both similarities and differences between the timing of electromyography (EMG) and mechanomyography (MMG) activities of muscles, there is no method to systematically quantify the temporal alignment between corresponding EMG and MMG signals. We proposed a novel method to determine the level of coincident activity in quasi-periodic MMG and EMG signals. The method optimizes 3 muscle-specific parameters: amplitude threshold, window size and minimum percent of EMG and MMG overlap using a particle swarm optimization algorithm to maximize the agreement (balanced accuracy) between electrical and mechanical muscle activity. The method was applied to bilaterally recorded EMG and MMG signals from 4 lower limb muscles per side of 25 pediatric participants during self-paced gait. Mean balanced accuracy exceeded 75% for all muscles except the lateral gastrocnemius, where EMG and MMG misalignment was notable (56% balanced accuracy). The proposed method can be applied to the criterion-driven comparison of simultaneously recorded myographic signals from two different measurement modalities during a motor task. [ABSTRACT FROM AUTHOR]

We set up a model for discotic liquid crystal dimers and study, by means of Monte Carlo simulations, their phase behaviour and self–assembling properties, in comparison with the simpler monomeric case. Each discotic dimer is described by two oblate Gay–Berne ellipsoids connected by a flexible spacer, modelled by a harmonic “spring” of three different lengths. We find that dimerization in general yields produces a significant change on the phase behaviour, with an increase of the columnar–nematic transition temperature, a widening of the nematic region and the apparent suppression of the crystalline phase in favour of the columnar phase up to very low temperatures. Longer spacers prove to ease the formation of columns and to increase the orientational order. [ABSTRACT FROM AUTHOR]

In this work we consider the stability of columnar liquid crystals formed by discotic molecules differing only in one core substituent. In particular we concentrate on the 1-substituted 2, 3, 6, 7, 10, 11 hexaalkyloxy triphenylene family, and more specifically on the methoxy derivatives, studying the effects of seven α-substituents (H, Br, CH3, Cl, F, NH2, NO2) on the shape and electronic properties, calculated at density functional level, and relating them with the phase behaviour of the corresponding hexyloxy derivatives. In a second step, we use the optimized structures and the atomic charges in a simplified Monte Carlo simulation of systems of molecules arranged in a columnar fashion, to try to shed light on the consequences of functionalization on the stacking behaviour. [ABSTRACT FROM AUTHOR]

We present a genetic algorithm apt to determine a set of effective charges that approximate the electrostatic field around a molecule. We show that these charges provide a reasonably good approximation to the pair electrostatic interaction and argue that the method should provide a valuable tool in computer simulations of condensed phases, particularly liquid crystals. [Copyright &y& Elsevier]

Reflecting on present unease about structural biases in the discipline, and aiming to offer a data-rich response to some recent criticisms of this Journal , the Editorial Board has undertaken a study of the representation of female scholars in the Journal of Roman Studies. To that end, we have gathered data on publications, submissions and JRS Editorial Board membership for the past fifteen years, from Volume 95 (2005) through to the present volume, Volume 109 (2019). The data are set out in the final section (VII), following a brief review of the main results. Our goal here is neither to present a definitive analysis, nor to offer a commentary on the underlying causes of the patterns revealed (on which we expect much fruitful discussion elsewhere). Rather, the JRS Editorial Board aims to make key data available both to inform a much wider debate within the profession as a whole and, importantly, to inform this Journal 's policies, procedures and active outreach. The Board is also acutely aware that any analysis of gender bias needs to be framed carefully — both by an awareness that there are other under-represented groups in the discipline (on which our data in their current form would regrettably only offer a most imperfect picture), and by a sensitivity to the limitations of a conception of gender as a simple binary. [ABSTRACT FROM AUTHOR]

The aggregation of liquid crystal nanodroplets from a homogeneous solution is an important but not well understood step in the preparation of various advanced photonic materials. Here, the authors performed molecular dynamics computer simulations of the formation of liquid crystalline nanodroplets, starting from an isotropic and uniform binary solution of spherical Lennard-Jones (solvent) and elongated ellipsoidal Gay-Berne (solute) rigid particles in low (<10%) concentration. They studied the dynamics of demixing and the mesogen ordering process and characterized the resulting nanodroplets assessing the effect of temperature, composition, and specific solute-solvent interaction on the morphology, structure, and anisotropy. They find that the specific solute-solvent interaction, composition, and temperature can be adjusted to tune the nanodroplet growth and size. [ABSTRACT FROM AUTHOR]

This article presents a novel application of the 'single line scanning' of the vocal fold vibrations (kymography) in singing pedagogy, particularly in a specific technical voice exercise: the 'messa di voce'. It aims at giving the singer relevant and valid short-term feedback. A user-friendly automatic analysis program makes possible a precise, immediate quantification of the essential physiological parameters characterizing the changes in glottal impedance, concomitant with the progressive increase and decrease of the lung pressure. The data provided by the program show a strong correlation with the hand-made measurements. Additional measurements such as subglottic pressure and flow glottography by inverse filtering can be meaningfully correlated with the data obtained from the kymographic images. [ABSTRACT FROM AUTHOR]