Modeling voice production and self-perception in noise: Understanding the Lombard effect in non-phonotraumatic vocal hyperfunctiona).

The sensorimotor adaptation process is crucial for maintaining oral communication. Recent studies have shown that individuals with non-phonotraumatic vocal hyperfunction (NPVH) experience difficulties in sensorimotor adaptation when speaking in noise (known as the Lombard effect). However, the role of auditory and somatosensory feedback in the dynamics of adaptation to speaking in noise is still unclear.

Weighted families of contact maps to characterize conformational ensembles of (highly-)flexible proteins.

Motivation: Characterizing the structure of flexible proteins, particularly within the realm of intrinsic disorder, presents a formidable challenge due to their high conformational variability. Currently, their structural representation relies on (possibly large) conformational ensembles derived from a combination of experimental and computational methods. The detailed structural analysis of these ensembles is a difficult task, for which existing tools have limited effectiveness.

Fission yeast Bgs1 glucan synthase participates in the control of growth polarity and membrane traffic.

Rod-shaped fission yeast grows through cell wall expansion at poles and septum, synthesized by essential glucan synthases. Bgs1 synthesizes the linear β(1,3)glucan of primary septum at cytokinesis. Linear β(1,3)glucan is also present in the wall poles, suggesting additional Bgs1 roles in growth polarity.

Dependence of lactose adsorption on the exposed crystal facets of metals: a comparative study of gold, silver and copper.

In this theoretical work, we investigated the adsorption of a lactose molecule on metal-based surfaces, with a focus on the influence of the nature of the metal and of the type of exposed crystal facet on the adsorbed structures and energetics. More precisely, we considered three flat crystallographic facets of three face-centered cubic metals (gold, silver, and copper). For the global exploration of the energy landscape, we employed a multi-stage procedure where high-throughput searches, using a stochastic method that performs global optimization by iterating local searches, are followed by a refinement of the most probable adsorption conformations of the molecule at the level.

Continuous-Time Model Identification of the Subglottal System.

Mathematical models that accurately simulate the physiological systems of the human body serve as cornerstone instruments for advancing medical science and facilitating innovative clinical interventions. One application is the modeling of the subglottal tract and neck skin properties for its use in the ambulatory assessment of vocal function, by enabling non-invasive monitoring of glottal airflow via a neck surface accelerometer. For the technique to be effective, the development of an accurate building block model for the subglottal tract is required.

Early diagnosis and aggressive surgical resection matters to cure rhinocerebral mucormycosis: Six case reports.

Rhino-cerebral mucormycosis (RM) is a rare and opportunistic fungal infection observed in immune-compromised patients and metabolic imbalances such as Diabetes Mellitus. RM rapidly infiltrates blood vessels, leading to vascular thrombosis, subsequent tissue necrosis, and high mortality rates (23.6-60%).

Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates.

Exploring the global energy landscape of relatively large molecules at the quantum level is a challenging problem. In this work, we report the coupling of a nonredundant conformational space exploration method, namely, the robotics-inspired iterative global exploration and local optimization (IGLOO) algorithm, with the quantum-chemical density functional tight binding (DFTB) potential. The application of this fast and efficient computational approach to three close-sized molecules of the phthalate family (DBP, BBP, and DEHP) showed that they present different conformational landscapes.

Glottal Airflow Estimation using Neck Surface Acceleration and Low-Order Kalman Smoothing.

The use of non-invasive skin accelerometers placed over the extrathoracic trachea has been proposed in the literature for measuring vocal function. Glottal airflow is estimated using inverse filtering or Bayesian techniques based on a subglottal impedance-based model when utilizing these sensors. However, deviations in glottal airflow estimates can arise due to sensor positioning and model mismatch, and addressing them requires a significant computational load.

Multi-site-specific isotopic labeling accelerates high-resolution structural investigations of pathogenic huntingtin exon-1.

Huntington's disease neurodegeneration occurs when the number of consecutive glutamines in the huntingtin exon-1 (HTTExon1) exceeds a pathological threshold of 35. The sequence homogeneity of HTTExon1 reduces the signal dispersion in NMR spectra, hampering its structural characterization. By simultaneously introducing three isotopically labeled glutamines in a site-specific manner in multiple concatenated samples, 18 glutamines of a pathogenic HTTExon1 with 36 glutamines were unambiguously assigned.

WASCO: A Wasserstein-based Statistical Tool to Compare Conformational Ensembles of Intrinsically Disordered Proteins.

The structural investigation of intrinsically disordered proteins (IDPs) requires ensemble models describing the diversity of the conformational states of the molecule. Due to their probabilistic nature, there is a need for new paradigms that understand and treat IDPs from a purely statistical point of view, considering their conformational ensembles as well-defined probability distributions. In this work, we define a conformational ensemble as an ordered set of probability distributions and provide a suitable metric to detect differences between two given ensembles at the residue level, both locally and globally.

Analysis of the Localization of Glucan Synthases in the Presence of the Antifungal Agent Caspofungin.

In recent years, invasive fungal infections have emerged as a common source of infections in immunosuppressed patients. All fungal cells are surrounded by a cell wall that is essential for cell integrity and survival. It prevents cell death and lysis resulting from high internal turgor pressure.

The structure of pathogenic huntingtin exon 1 defines the bases of its aggregation propensity.

Huntington's disease is a neurodegenerative disorder caused by a CAG expansion in the first exon of the HTT gene, resulting in an extended polyglutamine (poly-Q) tract in huntingtin (httex1). The structural changes occurring to the poly-Q when increasing its length remain poorly understood due to its intrinsic flexibility and the strong compositional bias. The systematic application of site-specific isotopic labeling has enabled residue-specific NMR investigations of the poly-Q tract of pathogenic httex1 variants with 46 and 66 consecutive glutamines.

Ambulatory Monitoring of Subglottal Pressure Estimated from Neck-Surface Vibration in Individuals with and without Voice Disorders.

The aerodynamic voice assessment of subglottal air pressure can discriminate between speakers with typical voices from patients with voice disorders, with further evidence validating subglottal pressure as a clinical outcome measure. Although estimating subglottal pressure during phonation is an important component of a standard voice assessment, current methods for estimating subglottal pressure rely on non-natural speech tasks in a clinical or laboratory setting. This study reports on the validation of a method for subglottal pressure estimation in individuals with and without voice disorders that can be translated to connected speech to enable the monitoring of vocal function and behavior in real-world settings.

Kalman Filter Implementation of Subglottal Impedance-Based Inverse Filtering to Estimate Glottal Airflow during Phonation.

Subglottal Impedance-Based Inverse Filtering (IBIF) allows for the continuous, non-invasive estimation of glottal airflow from a surface accelerometer placed over the anterior neck skin below the larynx. It has been shown to be advantageous for the ambulatory monitoring of vocal function, specifically in the use of high-order statistics to understand long-term vocal behavior. However, during long-term ambulatory recordings over several days, conditions may drift from the laboratory environment where the IBIF parameters were initially estimated due to sensor positioning, skin attachment, or temperature, among other factors.

Statistical proofs of the interdependence between nearest neighbor effects on polypeptide backbone conformations.

Backbone dihedral angles ϕ and ψ are the main structural descriptors of proteins and peptides. The distribution of these angles has been investigated over decades as they are essential for the validation and refinement of experimental measurements, as well as for structure prediction and design methods. The dependence of these distributions, not only on the nature of each amino acid but also on that of the closest neighbors, has been the subject of numerous studies.

Dehydrogenation versus deprotonation of disaccharide molecules in vacuum: a thorough theoretical investigation.

Dehydrogenation and deprotonation of sucrose and trehalose molecules in vacuum is theoretically studied by using calculations in the framework of the density functional theory. The differences in the structural, electronic, energetic and vibrational properties of dehydrogenated and deprotonated molecules are discussed, depending on the site from which the hydrogen atom or the proton has been removed. The dehydrogenated molecules are found to be stable, regardless of which hydrogen atom is removed.

The sequence context in poly-alanine regions: structure, function and conservation.

Motivation: Poly-alanine (polyA) regions are protein stretches mostly composed of alanines. Despite their abundance in eukaryotic proteomes and their association to nine inherited human diseases, the structural and functional roles exerted by polyA stretches remain poorly understood. In this work we study how the amino acid context in which polyA regions are settled in proteins influences their structure and function.

Low Complexity Induces Structure in Protein Regions Predicted as Intrinsically Disordered.

There is increasing evidence that many intrinsically disordered regions (IDRs) in proteins play key functional roles through interactions with other proteins or nucleic acids. These interactions often exhibit a context-dependent structural behavior. We hypothesize that low complexity regions (LCRs), often found within IDRs, could have a role in inducing local structure in IDRs.

Application of an In Vitro Digestion Model for Wheat and Red Beetroot Bread to Assess the Bioaccessibility of Aflatoxin B, Ochratoxin A and Zearalenone and Betalains.

Nowadays, the bakery industry includes different bioactive ingredients to enrich the nutritional properties of its products, such as betalains from red beetroot (. However, cereal products are considered a major route of exposure to many mycotoxins, both individually and in combination, due to their daily consumption, if the cereals used contain these toxins. Only the fraction of the contaminant that is released from the food is bioaccessible and bioavailable to produce toxic effects.

Arsenic concentration in topsoil of central Chile is associated with aberrant methylation of P53 gene in human blood cells: a cross-sectional study.

Gene expression can be modified in people who are chronically exposed to high concentrations of heavy metals. The soil surrounding the Ventanas Industrial Complex, located on the coastal zone of Puchuncaví and Quintero townships (Chile), contain heavy metal concentrations (As, Cu, Pb, Zn, among others) that far exceed international standards. The aim of this study was to determine the potential association of the heavy metals in soils, especially arsenic, with the status of methylation of four tumor suppressor genes in permanent residents in those townships.

No evidence for motor-recovery-related cortical connectivity changes after stroke using resting-state fMRI.

It has been proposed that a form of cortical reorganization (changes in functional connectivity between brain areas) can be assessed with resting-state (rs) functional MRI (fMRI). Here, we report a longitudinal data set collected from 19 patients with subcortical stroke and 11 controls. Patients were imaged up to five times over 1 year.

Echinocandin Drugs Induce Differential Effects in Cytokinesis Progression and Cell Integrity.

Fission yeast contains three essential β(1,3)-D-glucan synthases (GSs), Bgs1, Bgs3, and Bgs4, with non-overlapping roles in cell integrity and morphogenesis. Only the mutants and exhibit resistance to GS inhibitors, even in the presence of the wild-type (WT) sequences of and . Thus, Bgs1 and Bgs3 functions seem to be unaffected by those GS inhibitors.