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1.
Article in English | MEDLINE | ID: mdl-39300012

ABSTRACT

Previous research has identified regions of the brain that are sensitive to emotional intensity in faces, with some evidence for developmental differences in this pattern of response. However, comparable understanding of how the brain tracks linear variations in emotional prosody is limited-especially in youth samples. The current study used novel stimuli (morphing emotional prosody from neutral to anger/happiness in linear increments) to investigate whether neural response to vocal emotion was parametrically modulated by emotional intensity and whether there were age-related changes in this effect. Participants aged 8-21 years (n = 56, 52% female) completed a vocal emotion recognition task, in which they identified the intended emotion in morphed recordings of vocal prosody, while undergoing functional magnetic resonance imaging. Parametric analyses of whole-brain response to morphed stimuli found that activation in the bilateral superior temporal gyrus (STG) scaled to emotional intensity in angry (but not happy) voices. Multivariate region-of-interest analyses revealed the same pattern in the right amygdala. Sensitivity to emotional intensity did not vary by participants' age. These findings provide evidence for the linear parameterization of emotional intensity in angry vocal prosody within the bilateral STG and right amygdala. Although findings should be replicated, the current results also suggest that this pattern of neural sensitivity may not be subject to strong developmental influences.

2.
Angew Chem Int Ed Engl ; : e202415003, 2024 Sep 20.
Article in English | MEDLINE | ID: mdl-39301830

ABSTRACT

Phosphor converted light emitting diodes (pc-LEDs) have revolutionized solid-state white lighting by replacing energy-inefficient filament-based incandescent lamps. However, such a pc-LED emitting ultrabroad near-infrared (NIR) radiations still remains a challenge, primarily because of the lack of ultrabroad NIR emitting phosphors. To address this issue, we have prepared 2.5% W4+-doped and 2.8% Mo4+-doped Cs2Na0.95Ag0.05BiCl6 perovskites emitting ultrabroad NIR radiation with unprecedented spectral widths of 434 and 468 nm, respectively. Upon band-edge excitation, the soft lattice of the host exhibits broad self-trapped exciton (STE) emission covering NIR-I (680 nm), which then nonradiatively excites the dopants. The π-donor ligand Cl⁻ reduces the energy of dopant d-d transitions emitting NIR-II with a peak at ~950 nm. Vibronic coupling broadens the dopant emission. The large spin-orbit coupling and local structural distortion might possibly enhance the dopant emission intensity, leading to an overall NIR photoluminescence quantum yield ~40%. The composite of our ultrabroad NIR phosphors with biodegradable polymer polylactic acid could be processed into free-standing films and 3D printed structures. Large (170 × 170 mm2), robust, and thermally stable 3D printed pc-LED panels emit ultrabroad NIR radiation, demonstrating NIR imaging applications.

3.
Front Hum Neurosci ; 18: 1367952, 2024.
Article in English | MEDLINE | ID: mdl-39301539

ABSTRACT

Aim: To investigate the dynamics of the motor control system during walking by examining the complexity, stability, and causal relationships of leg motions. Specifically, the study focuses on gait under both bilateral and unilateral constraints induced by a passive exoskeleton designed to replicate gastrocnemius contractures. Methods: Kinematic data was collected as 10 healthy participants walked at a self-selected speed. A new Complexity-Instability Index (CII) of the leg motions was defined as a function of the Correlation Dimension and the Largest Lyapunov Exponent. Causal interactions between the leg motions are explored using Convergent Cross Mapping. Results: Normal walking is characterized by a high mutual drive of each leg to the other, where CII is lowest for both legs (complexity of each leg motion is low and stability high). The effect of the bilateral emulated contractures is a reduced drive of each leg to the other and an increased CII for both legs. With unilateral emulated contracture, the mechanically constrained leg strongly drives the unconstrained leg, and CII was significantly higher for the constrained leg compared to normal walking. Conclusion: Redundancy in limb motions is used to support causal interactions, reducing complexity and increasing stability in our leg dynamics during walking. The role of redundancy is to allow adaptability above being able to satisfy the overall biomechanical problem; and to allow the system to interact optimally. From an applied perspective, important characteristics of functional movement patterns might be captured by these nonlinear and causal variables, as well as the biomechanical aspects typically studied.

4.
Article in English | MEDLINE | ID: mdl-39303520

ABSTRACT

Upadacitinib is an oral Janus Kinase inhibitor used for the treatment of rheumatoid arthritis. This research focuses on the forced degradation study of upadacitinib and the characterization of its degradation impurities. Upadacitinib was subjected to various degradation conditions such as hydrolysis (acid, base, neutral), oxidation, thermal, and photolysis according to International Council for Harmonisation guidelines. Twelve degradation impurities of upadacitinib were observed under oxidation (H2O2, AIBN, Fenton's reagent) and photolysis (UV light). Zeneth software was used to predict the in silico degradation profile. High-performance liquid chromatography was used to separate the observed degradation impurities with ammonium formate (pH 3.63) and acetonitrile as mobile phases on an Agilent Zorbax Eclipse plus C18 column (4.6 × 250 mm, 5 µm). The separated degradation impurities were characterized by using high resolution mass spectrometry. The accurate masses obtained from LC-HRMS/MS were used to determine the structures of all the degradation impurities. A suitable mechanism for the formation of degradation impurities was proposed. DEREK Nexus and SARAH Nexus were used for the in silico toxicity and mutagenicity assessments.

6.
Braz J Biol ; 84: e280451, 2024.
Article in English | MEDLINE | ID: mdl-39319977

ABSTRACT

The genus Trichosporon are currently recognized as opportunistic pathogens capable of causing superficial "white piedra" infections and potentially fatal invasive diseases (Trichosporonosis). In this work, determine the agent Trichosporon spp. isolated from the skin and appendages of a male population group in the Central-West region of Brazil. The isolates were analyzed by phenotypic, biochemical and molecular methods. Twenty-five strains of Trichosporon were isolated: T. asahii (18; 72%), followed by T. inkin (4; 16%) and T. faecale (3; 12%). Skin infections were the most affected (16; 64%) and the genitocrural region (13; 52%) was the most affected. The highest rate of isolation occurred between the ages of 21 and 30 years (9; 36%), with black men (African descent) (13; 52%) being the most affected by this type of superficial infection. After the advent of molecular techniques, more than 50 subspecies and about 16 different strains have been reported to cause human disease. In this series, three species of the genus Trichosporon of medical importance were highlighted, colonizing the genital and perigenital region of the studied population. For the identifications, classical phenotypic methods associated with genotypic identification were carried out, using molecular techniques based on the study of DNA; using sequence analysis of the DNA intergenic spacer region 1 (IGS1).


Subject(s)
Trichosporon , Trichosporonosis , Male , Humans , Trichosporon/genetics , Trichosporon/isolation & purification , Trichosporon/classification , Brazil , Adult , Young Adult , Trichosporonosis/microbiology , Adolescent , Middle Aged , Aged , Child , Phenotype , Mycological Typing Techniques
7.
Turk Arch Otorhinolaryngol ; 62(1): 7-13, 2024 Jul 03.
Article in English | MEDLINE | ID: mdl-39257036

ABSTRACT

Objective: Orbital apex syndrome (OAS) is a rare condition with multiple cranial nerve involvement caused by varied etiologies. It is not only a threat to the patient's vision but also life-threatening due to the intracranial spread of infection, if not diagnosed early and treated accurately. To study the outcome of endoscopic sinus surgery (ESS) for OAS secondary to sinusitis concerning resolution of ptosis, improvement of ophthalmoplegia, visual prognosis, intracranial spread of infection, and mortality. Methods: A retrospective review of patients with OAS secondary to sinusitis who underwent ESS from 2011 to 2021 was tabulated and analyzed. Results: Twenty-seven patients (mean age: 55.11+/-16 years; male 62%) were included in this study. At presentation, blurring of vision (81%), headache (66%), diplopia (63%) ptosis (63%) were the most common symptoms, and ophthalmoplegia (100%) was the most common sign. Five patients had no perception of light and the rest had various degrees of vision impairment. The most common etiopathology of sinusitis was fungal sinusitis (12 mucormycosis and four aspergillus). The final visual prognosis at three months follow-up post-ESS showed vision stabilization (no improvement or worsening) in 13 (48%) patients, improvement in seven (26%) patients, and vision deterioration in two (7%) patients. There was a significant improvement in ptosis (70%) and ophthalmoplegia (85%). There was no intracranial spread of infection or recurrence with a mortality rate of 3.7% (one patient). Conclusion: ESS coupled with appropriate antimicrobials effectively treats OAS secondary to sinusitis with decreased morbidity and mortality.

8.
Sci Rep ; 14(1): 20565, 2024 09 04.
Article in English | MEDLINE | ID: mdl-39232000

ABSTRACT

Studies on MECP2 function and its implications in Rett Syndrome (RTT) have traditionally centered on neurons. Here, using human embryonic stem cell (hESC) lines, we modeled MECP2 loss-of-function to explore its effects on astrocyte (AST) development and dysfunction in the brain. Ultrastructural analysis of RTT hESC-derived cerebral organoids revealed significantly smaller mitochondria compared to controls (CTRs), particularly pronounced in glia versus neurons. Employing a multiomics approach, we observed increased gene expression and accessibility of a subset of nuclear-encoded mitochondrial genes upon mutation of MECP2 in ASTs compared to neurons. Analysis of hESC-derived ASTs showed reduced mitochondrial respiration and altered key proteins in the tricarboxylic acid cycle and electron transport chain in RTT versus CTRs. Additionally, RTT ASTs exhibited increased cytosolic amino acids under basal conditions, which were depleted upon increased energy demands. Notably, mitochondria isolated from RTT ASTs exhibited increased reactive oxygen species and influenced neuronal activity when transferred to cortical neurons. These findings underscore MECP2 mutation's differential impact on mitochondrial and metabolic pathways in ASTs versus neurons, suggesting that dysfunctional AST mitochondria may contribute to RTT pathophysiology by affecting neuronal health.


Subject(s)
Astrocytes , Methyl-CpG-Binding Protein 2 , Mitochondria , Mutation , Neurons , Reactive Oxygen Species , Rett Syndrome , Methyl-CpG-Binding Protein 2/metabolism , Methyl-CpG-Binding Protein 2/genetics , Mitochondria/metabolism , Astrocytes/metabolism , Reactive Oxygen Species/metabolism , Humans , Neurons/metabolism , Rett Syndrome/genetics , Rett Syndrome/metabolism , Rett Syndrome/pathology , Human Embryonic Stem Cells/metabolism , Cell Line
10.
NPJ Digit Med ; 7(1): 241, 2024 Sep 10.
Article in English | MEDLINE | ID: mdl-39251821

ABSTRACT

In pandemic mitigation, strategies such as social distancing and mask-wearing are vital to prevent disease resurgence. Yet, monitoring adherence is challenging, as individuals might be reluctant to share behavioral data with public health authorities. To address this challenge and demonstrate a framework for conducting observational research with sensitive data in a privacy-conscious manner, we employ a privacy-centric epidemiological study design: the federated cohort. This approach leverages recent computational advances to allow for distributed participants to contribute to a prospective, observational research study while maintaining full control of their data. We apply this strategy here to explore pandemic intervention adherence patterns. Participants (n = 3808) were enrolled in our federated cohort via the "Google Health Studies" mobile application. Participants completed weekly surveys and contributed empirically measured mobility data from their Android devices between November 2020 to August 2021. Using federated analytics, differential privacy, and secure aggregation, we analyzed data in five 6-week periods, encompassing the pre- and post-vaccination phases. Our results showed that participants largely utilized non-pharmaceutical intervention strategies until they were fully vaccinated against COVID-19, except for individuals without plans to become vaccinated. Furthermore, this project offers a blueprint for conducting a federated cohort study and engaging in privacy-preserving research during a public health emergency.

11.
Spectrochim Acta A Mol Biomol Spectrosc ; 325: 125109, 2024 Sep 13.
Article in English | MEDLINE | ID: mdl-39278129

ABSTRACT

The nonlinear optical properties of push-pull chromophores, namely (E)-7-(4-bromophenyl)-2,5-bis(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-1,2-diazepin-4-ol (A-π-D-π-A) and (E)-7-(4-bromophenyl)-5-(4-nitrophenyl)-2-phenyl-3,4,5,6-tetrahydro-2H-1,2-diazepin-4-ol (A-π-D-π-D), have been investigated using the z-scan technique. NMR, FT-IR, and UV-visible spectral analysis have been performed. The results were compared with density functional theory calculations employing the B3LYP/6-311++G (d, p) basis set. Geometry optimization, frontier molecular analysis, and TD-DFT calculations were conducted in various solvent environments to elucidate solute-solvent interactions. Gaussian 09 software was employed for natural bond orbital analysis, natural population analysis, and molecular electrostatic potential exploration. This comprehensive approach provides insights into the molecular structure and electronic properties of the investigated chromophores, shedding light on their potential applications in nonlinear optics. Normal coordinate analysis using the MOLVIB software has been used to assign the vibrational mode unambiguously. Theoretical second-order hyperpolarizability was computed, and NLO investigations have been employed to determine the second-order hyperpolarizability in both the polar and non-polar solvents. Further, the optical limiting capability was also examined.

12.
Sci Rep ; 14(1): 21365, 2024 09 12.
Article in English | MEDLINE | ID: mdl-39266598

ABSTRACT

To reduce breast motion with a bra, we need to understand what drives the motion of the breasts, and what variables change as support increases. Quantifying breast-torso coordination and movement complexity across the gait cycle may offer deeper insights than previously reported discrete time lag. We aimed to compare breast-torso coordination and mutual influence across breast support conditions during running. Twelve female participants ran on a treadmill at 10 km h-1 with an encapsulation and compression sports bra, and in no bra. Nipple and torso position was recorded. Vector coding, granger causality and transfer entropy were calculated within gait cycles. In both bra conditions, a greater percentage of gait cycles was spent with the breast and torso in-phase (> 90%) compared to no bra running (~ 66%, p < 0.001), with most time spent in-phase in the encapsulation versus compression bra (p = 0.006). There was a main effect of breast support condition on Granger causality (p < 0.001), both from breast to torso and torso to breast. Transfer of information was highest from torso to breast, compared to breast to torso in all conditions. Overall, these results provide novel insight into the mutual and complex interaction between the breast and the torso while running in different bra conditions. The approaches presented allow for a greater understanding of bra support conditions than existing discrete measures, which may relate to comfort and performance. Therefore, measures of coupling, predictability and transfer of complexity should be employed in future work examining these features.


Subject(s)
Breast , Running , Torso , Humans , Female , Running/physiology , Breast/physiology , Adult , Torso/physiology , Biomechanical Phenomena , Movement/physiology , Young Adult , Gait/physiology
15.
J Neural Eng ; 2024 Sep 04.
Article in English | MEDLINE | ID: mdl-39231469

ABSTRACT

OBJECTIVE: Training plays a significant role in motor imagery (MI), particularly in applications such as Motor Imagery-based Brain-Computer Interface (MIBCI) systems and rehabilitation systems. Previous studies have investigated the intricate relationship between cues and MI signals. However, the medium of presentation still remains an emerging area to be explored, as possible factors to enhance Motor Imagery signals.. Approach: We hypothesise that the medium used for cue presentation can significantly influence both performance and training outcomes in MI tasks. To test this hypothesis, we designed and executed an experiment implementing no- feedback MI. Our investigation focused on three distinct cue presentation mediums -audio, screen, and virtual reality(VR) headsets-all of which have potential implications for BCI use in the Activities of Daily Lives. Main Results: The results of our study uncovered notable variations in MI signals depending on the medium of cue presentation, where the analysis is based on 3 EEG channels. To substantiate our findings, we employed a comprehensive approach, utilizing various evaluation metrics including Event- Related Synchronisation(ERS)/Desynchronisation(ERD), Feature Extraction (using Recursive Feature Elimination (RFE)), Machine Learning methodologies (using Ensemble Learning), and participant Questionnaires. All the approaches signify that Motor Imagery signals are enhanced when presented in VR, followed by audio, and lastly screen. Applying a Machine Learning approach across all subjects, the mean cross-validation accuracy (Mean ± Std. Error) was 69.24 ± 3.12, 68.69 ± 3.3 and 66.1±2.59 when for the VR, audio-based, and screen-based instructions respectively. Significance: This multi-faceted exploration provides evidence to inform MI- based BCI design and advocates the incorporation of different mediums into the design of MIBCI systems, experimental setups, and user studies. The influence of the medium used for cue presentation may be applied to develop more effective and inclusive MI applications in the realm of human-computer interaction and rehabilitation.

16.
J Chem Theory Comput ; 2024 Sep 16.
Article in English | MEDLINE | ID: mdl-39283685

ABSTRACT

A wide array of models, spanning from computationally expensive ab initio methods to a spectrum of force-field approaches, have been developed and employed to probe silica polymorphs and understand growth processes and atomic-level dynamical transitions in silica. However, the quest for a model capable of making accurate predictions with high computational efficiency for various silica polymorphs is still ongoing. Recent developments in short-range machine-learned models, such as GAP and NNPScan, have shown promise in providing reasonable descriptions of silica, but their computational cost remains high compared to force fields such as BKS which are based on simple interpretable functional forms. Here, we build on the recent success of our reinforcement learning (RL) workflow to derive a new set of optimal parameters for a promising short-range BKS-based model proposed by Soules. We use RL to navigate the eight-dimensional parameter space of the Soules potential using an experimental training data set that includes both local and global structural features from approximately 21 experimentally realized silica polymorphs, including high density phases and porous zeolites. We compare the performance of our machine-learned ML-Soules model with other high quality models including our recent machine-learned parametrization of BKS (ML-BKS), a machine-learned potential (GAP), as well as predictions of ab initio calculations with the highly fidelity SCAN functional. The ML-Soules accurately captures the relative energetic ordering of various polymorphs as well as their structural features at a significantly reduced computational expense. The ML-Soules model also reasonably captures the structure, density, and elastic constants of quartz, as well as metastable silica polymorphs. We further discuss the limitations of the Soules functional form and propose potential enhancements, including the incorporation of additional three-body terms and/or the utilization of different short-ranged functional forms to achieve greater accuracy for both global and local features in the modeling of silica while retaining low computational cost.

17.
bioRxiv ; 2024 Aug 23.
Article in English | MEDLINE | ID: mdl-39229063

ABSTRACT

Tubular epithelial cell damage can be repaired through a series of complex signaling pathways. An early event in many forms of tubular damage is the observation of DNA damage, which can be repaired by specific pathways depending upon the type of genomic alteration.. In this study, we report that the catalytic subunit of DNA protein kinase (DNA-PKcs), a central DNA repair enzyme involved in sensing DNA damage and performing double stranded DNA break repair, plays an important role in the extent of tubular epithelial cell damage following exposure to injurious acute and chronic stimuli. Selective loss of DNA-PKcs in the proximal tubules led to increased markers of kidney dysfunction, DNA damage, and tubular epithelial cell injury in multiple models of acute kidney injury, specifically bilateral renal ischemia-reperfusion injury and single dose of cisplatin (15 mg/kg IP). In contrast, in a mouse model of kidney fibrosis and chronic kidney disease (UUO),the protective effects of DNA-PKcs was not as obvious histologically from the tissue sections. In the absence of proximal tubular DNA-PKcs, there was reduced levels of fibrotic markers, α-SMA and fibronectin, which suggests that there may be a biphasic role of DNA-PKcs depending upon the conditions exerted upon the kidney. In conclusion, this study demonstrates that the catalytic subunit of DNA-PKcs plays a context-dependent role in the kidney to reduce DNA damage during exposure to various types of acute, but not chronic forms of injurious stimuli.

18.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 9): 913-915, 2024 Sep 01.
Article in English | MEDLINE | ID: mdl-39267866

ABSTRACT

In the title compound, C31H28O4, the phenyl rings of the chalcone unit subtend a dihedral angle of 26.43 (10)°. The phenyl rings of the pendant benz-yloxy groups are orientated at 75.57 (13) and 75.70 (10)° with respect to their attached ring. In the crystal, weak C-H⋯O and C-H⋯π inter-actions link the mol-ecules. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, which showed a breakdown into H⋯H (49.8%), H⋯C/C⋯H (33.8%) and H⋯O/O⋯H (13.6%) inter-actions with other types making negligible contributions.

19.
Sci Rep ; 14(1): 20928, 2024 Sep 09.
Article in English | MEDLINE | ID: mdl-39251718

ABSTRACT

Conservation Agriculture (CA) is an innovative approach that promotes sustainable farming while enhancing soil health. However, residue management challenges often hinder its adoption, causing farmers to burn crop leftovers in fields. This study aimed to evaluate the effectiveness of various furrow openers under simulated soil bin conditions. Three types of furrow openers were examined: single disk (SD), Inverted T-type furrow opener with a plain rolling coulter (ITRC), and double disc (DD) furrow opener. Tests were conducted at different forward speeds (1.5, 2, and 2.5 km h-1) and with three straw densities (1, 2, and 3 t ha-1) at a consistent working depth of 5 cm. Draft measurements were obtained using load cells connected to an Arduino-based data-logging system. Results indicated that draft requirements increased with forward speed and straw density, while straw-cutting efficiency decreased with these factors. Average draft values for SD, ITRC, and DD were 290.3 N, 420 N, and 368.5 N, respectively, and straw-cutting efficiencies were 53.62%, 59.47%, and 74.89%, respectively. The DD furrow opener showed the highest straw-cutting efficiency (81.36%) at a working speed of 1.5 km h-1 and a straw density of 1 t ha-1, demonstrating optimal performance compared to other furrow openers.

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