A nonequilibrium kinetic model of high-resolution vibrational energy transfer in RDX from selective IR excitation.

In this paper, we develop a model based on a second quantization-with anharmonic phonon scattering and the phonon Boltzmann transport equation-to study precise high-resolution nonequilibrium vibrational energy transfer (VET) under selective phonon excitation in cyclotrimethylene trinitramine. We simulate mid-infrared pump-probe spectroscopy and observe a prompt appearance (<1 ps) of broad-spectrum intensity, which agrees well with experimental data in the literature. The selective excitation of phonons at different frequencies reveals distinct VET pathways and the kinetic evolution of mode occupations as the system reaches a new equilibrium temperature.

Hydrogen-Deuterium Exchange Mass Spectrometry Reveals Mechanistic Insights into RNA Oligonucleotide-Mediated Inhibition of TDP-43 Aggregation.

Deposits of aggregated TAR DNA-binding protein 43 (TDP-43) in the brain are associated with several neurodegenerative diseases. It is well established that binding of RNA/DNA to TDP-43 can prevent TDP-43 aggregation, but an understanding of the structure(s) and conformational dynamics of TDP-43, and TDP-43-RNA complexes, is lacking, including knowledge of how the solution environment modulates these properties. Here, we address this challenge using hydrogen-deuterium exchange-mass spectrometry.

Women Veterans' Stroke Risk Factors: Identified Prevention Methods and Knowledge Gaps.

Introduction: Stroke is a significant health burden for veterans and the fifth leading cause of death for women. Compared to civilian women, women veterans have significant multimorbid physical and mental health conditions contributing to their stroke risk. This scoping review aimed to synthesize evidence on the stroke risk factors specific to U.

Assessing Stigma Toward Mental, Neurological, and Substance Use Disorders in Liberia: A Population Representative Study.

Mental health stigma remains a major global problem associated with low self-esteem, social withdrawal, and poor health-seeking behavior in individuals. However, limited published evidence details these challenges in Liberia. Knowledge of public perceptions toward mental illness and key trends in the associations between knowledge of mental, neurological, and substance use disorders (MNSs) and stigma is crucial to designing evidence-based mental health policies and supporting service delivery.

End-of-Life Education in a Prelicensure Nursing Program.

The demand for palliative and end-of-life nursing is increasing with the aging US population. The American Association of Colleges of Nursing published recommendations for incorporating palliative and end-of-life care across nursing curriculum to prepare the future workforce. However, recommendations regarding teaching end-of-life content are limited.

Case Presentation of a Neuroglial Cyst Causing Acute Hydrocephalus.

Neuroglial cysts are rare congenital cysts that seldom require surgical treatment. This case highlights a rare instance when a neurolglial cyst caused acute hydrocephalus in a 10-year old boy. Originally diagnosed and managed as pediatric-onset migraines, the patient presented to the emergency department with nausea, vomiting, and ataxia without clear pathology on neuroradiology.

First analytical confirmation of drug-induced crystal nephropathy in felines caused by GS-441524, the active metabolite of Remdesivir.

GS-441524 is an adenosine nucleoside antiviral demonstrating significant efficacy in the treatment of feline infectious peritonitis (FIP), an otherwise fatal illness, resulting from infection with feline coronavirus. However, following the emergence of COVID-19, veterinary development was halted, and Gilead pursued clinical development of a GS-441524 pro-drug, resulting in the approval of Remdesivir under an FDA emergency use authorization. Despite lack of regulatory approval, GS-441524 is available without a prescription through various unlicensed online distributors and is commonly purchased by pet owners for the treatment of FIP.

A Targetable N-Terminal Motif Orchestrates α-Synuclein Oligomer-to-Fibril Conversion.

Oligomeric species populated during α-synuclein aggregation are considered key drivers of neurodegeneration in Parkinson's disease. However, the development of oligomer-targeting therapeutics is constrained by our limited knowledge of their structure and the molecular determinants driving their conversion to fibrils. Phenol-soluble modulin α3 (PSMα3) is a nanomolar peptide binder of α-synuclein oligomers that inhibits aggregation by blocking oligomer-to-fibril conversion.

Sequential, Electrochemical-Photochemical Synthesis of 1,2,4-Triazolo-[4,3-a]pyrazines.

1,2,4-triazolo-[4,3-a]pyrazine was prepared via a two-step electrochemical, photochemical process. First, a 5-substituted tetrazole is electrochemically coupled to 2,6-dimethoxypyrazine to yield 1,5- and 2,5- disubstituted tetrazoles. Subsequent photochemical excitation of the 2,5-disubstituted tetrazole species using an ultraviolet lamp releases nitrogen gas and produces a short-lived nitrilimine intermediate.

A pilot study to address the mental health of persons living with lymphatic filariasis in Léogâne, Haiti: Implementing a chronic disease self-management program using a stepped-wedge cluster design.

Background: Neglected tropical diseases (NTDs) inflict significant comorbid disability on the most vulnerable communities; yet interventions targeting the mental health of affected communities are lacking. A pilot study to assess the effectiveness of a chronic disease self-management program (CDSMP) was introduced to lymphatic filariasis peer support groups in Léogâne, Haiti.

Methods: Using a closed-cohort stepped-wedge cluster trial design, Hope Clubs were assigned into Arm 1 (n=118 members) and Arm 2 (n=92).

Investigation into a Conformationally Locked -Azidoxime.

High nitrogen compounds find wide use in the development of new propellants and explosives as well as pharmaceutical chemistry as bioisosteres, bacterial stains, and antifungal agents. A class of underexplored high-nitrogen materials includes azidoximes and their 1-hydroxytetrazole isomers. Azidoximes possess an energetic azide group and are quite sensitive to impact, spark, and friction.

Energetic Salts of a Tri-Annulated Ring System.

Energetic salts of a triazolyl-tetrazinyl-aminotriazine ring system are characterized as energetic materials. Previously known sodium, ammonium, hydrazinium, barium, and triaminoguanidinium salts as well as the parent free acid were synthesized according to literature procedures and fully characterized for the first time as energetic materials. The silver salt was also synthesized and characterized for the first time as an energetic material.

The QSEN Competency Legacy Threaded Through the Entry-Level AACN Essentials: Shaping the Future.

Background: For the last 17 years, the Quality and Safety Education for Nurses (QSEN) prelicensure competencies and knowledge, skill, and attitude (KSA) statements were integrated into nursing curricula.

Problem: With the publication of the competency-based American Association of Colleges of Nursing (AACN) Essentials , it is important to determine the overlap of the QSEN competencies.

Approach: We developed a QSEN-AACN prelicensure crosswalk to help faculty map and integrate the 2021 AACN Essentials into their curriculum.

Exploring Cuneanes as Potential Benzene Isosteres and Energetic Materials: Scope and Mechanistic Investigations into Regioselective Rearrangements from Cubanes.

Cuneane is a strained hydrocarbon that can be accessed via metal-catalyzed isomerization of cubane. The carbon atoms of cuneane define a polyhedron of the point group with six faces─two triangular, two quadrilateral, and two pentagonal. The rigidity, strain, and unique exit vectors of the cuneane skeleton make it a potential scaffold of interest for the synthesis of functional small molecules and materials.

Value of Using a Structured Improvement Approach: A Dedicated Education Unit Exemplar.

Using a structured approach to improvement that integrates methodological frameworks and commonly used improvement tools and techniques allows an improvement team to systematically implement and evaluate an intervention. Authors from one academic medical center will describe our four-step structured improvement approach in the design of a dedicated education unit (DEU) pilot to potentially meet a critical post-COVID-19 workforce need. Using our structured improvement approach, we successfully piloted a DEU with a unit-based clinical educator and 16 nursing students over 26 clinical days and received 13 preintervention surveys from participants.

Prospective Assessment of Otologic Adverse Events due to Teprotumumab: Preliminary Results.

Objective: To assess a series of patients receiving teprotumumab therapy and objectively quantify the rates of otologic adverse events.

Study Design: A prospective cohort study of adult patients receiving teprotumumab between May 2020 and January 2022.

Setting: Tertiary referral center.

Taking Charge: Metal Ions Accelerate Amyloid Aggregation in Sequence Variants of α-Synuclein.

Αlpha-synuclein (αS) is an intrinsically disordered protein which exhibits a high degree of conformational heterogeneity. , αS experiences various environments which cause adaptation of its structural ensemble. Divalent metal ions are prominent in synaptic terminals where αS is located and are thought to bind to the αS C-terminal region.

Quantifying Analogue Suitability for SAR-Based Read-Across Toxicological Assessment.

Structure activity relationship (SAR)-based read-across often is an integral part of toxicological safety assessment, and justification of the prediction presents the most challenging aspect of the approach. It has been established that structural consideration alone is inadequate for selecting analogues and justifying their use, and biological relevance must be incorporated. Here we introduce an approach for considering biological and toxicological related features quantitatively to compute a similarity score that is concordant with suitability for a read-across prediction for systemic toxicity.

Effects of sprint versus strength training on risk factors for hamstring injury in football players.

Background: This study aimed to compare the effects of in-season sprint training vs. Nordic hamstring exercise (NHE) training on risk factors for hamstring strain injuries (HSI).

Methods: Eighteen male university football players (20.

Approach to High-Nitrogen Materials with Dual-Use Properties via Tetraaza-Nazarov Cyclization.

In this report, we describe the application of an electrocyclization toward the synthesis of a high-nitrogen heterocycle. It entails the synthesis of a novel, high-nitrogen, 2-3-disubstituted tetrazolium salt via the tetraaza-Nazarov cyclization (4π electrocyclization) of 3-bromo-1,5-bis(3-nitro-1,2,4-triazole-1-5-yl)-formazan (BDNF). The cyclization takes place under mild conditions using the oxidant phenyliodine(III) diacetate (PIDA).

Anosognosia for Hemiplegia and Falls After Stroke: A Prospective Correlational Study.

Purpose: The aim of this study was to explore the association between the presence and severity of anosognosia for hemiplegia (AHP) and falls in stroke survivors.

Design: A prospective, correlational research design was utilized.

Methods: Primary instrumentation included demographic information and the Visual-Analogue Test for Anosognosia for motor impairment (VATA-m).

Single-Crystal Diffraction, Raman Spectroscopy, and Density Functional Theory of DTO [-(1,7-Dinitro-1,2,6,7-tetrahydro-[1,3,5]triazino[1,2-][1,3,5]oxadiazin-8(4H)-ylidene)nitramide].

A combined experimental and modeling study of energetic compound -(1,7-dinitro-1,2,6,7-tetrahydro-[1,3,5]triazino[1,2-][1,3,5]oxadiazin-8(4H)-ylidene)nitramide [CHNO, (DTO)] has been performed. We report its crystal structure, solid-phase heat of formation, and its vibrational and electronic structure obtained by single-crystal X-ray diffractometry, Raman spectroscopy, and density functional theory (DFT). DTO exhibits two adjoining six-membered rings, a triazine ring (CN) and an oxadiazine ring (CNO) ring containing two nitro functional groups and one nitroamino group.

Single residue modulators of amyloid formation in the N-terminal P1-region of α-synuclein.

Alpha-synuclein (αSyn) is a protein involved in neurodegenerative disorders including Parkinson's disease. Amyloid formation of αSyn can be modulated by the 'P1 region' (residues 36-42). Here, mutational studies of P1 reveal that Y39A and S42A extend the lag-phase of αSyn amyloid formation in vitro and rescue amyloid-associated cytotoxicity in C.

Healthcare professionals' perceptions and experiences of physiotherapy for people with mental illness: a protocol for a systematic review and meta-ethnography.

Introduction: There is a high global prevalence of patients presenting with physical and mental health comorbidities. Physiotherapeutic interventions, such as exercise, can have positive benefits for physical and mental health. However, poor accessibility and negative experiences of healthcare services for those with mental illness (MI) have been consistently observed within literature with recent research identifying poor experiences of physiotherapeutic interactions and processes such as referrals and discharges.