A Phase-Space View of Vibrational Energies without the Born-Oppenheimer Framework.

We show that following the standard mantra of quantum chemistry and diagonalizing the Born-Oppenheimer (BO) Hamiltonian () is not the optimal means to construct potential energy surfaces. A better approach is to diagonalize a phase-space electronic Hamiltonian, (, ), which is parameterized by both nuclear position and nuclear momentum . Such a nonperturbative phase-space electronic Hamiltonian can be constructed using a partial Wigner transform and the method has exactly the same cost as BO for a semiclassical calculation (and only a slight increase in cost for a quantum nuclear calculation).

Menadione reduces the expression of virulence- and colonization-associated genes in .

Novel treatment options are needed for the gastric pathogen due to its increasing antibiotic resistance. The vitamin K analogue menadione has been extensively studied due to interest in its anti-bacterial and anti-cancer properties. Here, we investigated the effects of menadione on growth, viability, antibiotic resistance, motility and gene expression using clinical isolates.

Enhanced localized pressure-mediated non-viral gene delivery.

Topically applied therapies must not only be effective at the molecular level but also efficiently access the target site which can be on milli/centimetre-scales. This bottleneck is particularly inhibitory for peptide and nucleic acid macromolecule drug delivery strategies, especially when aiming to target wounded, infected, and poorly perfused tissues of significant volume and geometry. Methods to drive fluid-flow or to enhance physical distribution of such formulations after local administration in accessible tissues (skin, eye, intestine) would be transformative in realizing the potential of such therapeutics.

Chirality in molecular conductors from enantiopure or racemic coordination complexes.

There has been growing interest in recent years in the synthesis of multifunctional materials that exhibit both chirality and electrical conductivity. These materials can exhibit electrical magnetochiral anisotropy (eMChA) or the chirality induced spin selectivity (CISS) effect. Several families of chiral tetrathiafulvalene (TTF)-based donor molecules have been successfully used with acceptors or simple anions to prepare chiral molecular conductors.

Associations of Device-Measured Physical Activity and Sedentary Time With Neural Responses to Visual Food Cues in Adults: A Functional Magnetic Resonance Imaging Study.

Self-reported physical activity is associated with lower brain food cue responsiveness in reward-related regions, but relationships utilizing objective physical activity measurement tools have not been explored. This cross-sectional study examined whether device-measured moderate-to-vigorous intensity physical activity and sedentary time are related to neural responses to visual food cues using functional magnetic resonance imaging. Fifty-one healthy adults (30 men, 21 women; mean ± SD: age 26 ± 6 years; body mass index 24.

Investigating the link between sleep quality and belief in conspiracy theories.

Two studies examined the link between sleep quality and conspiracy theory beliefs, as well as the underlying mechanisms. In Study 1 ( = 540), participants with poorer sleep quality over the past month reported higher conspiracy beliefs about the 2019 Notre Dame fire when exposed to Notre Dame fire conspiracy theories compared to non-conspiracy information. Study 2 ( = 575) investigated the underlying psychological mechanisms connecting poor sleep quality with increased conspiracy beliefs and whether insomnia shows a similar pattern.

Corrigendum: Augmenting self-guided virtual-reality exposure therapy for social anxiety with biofeedback: a randomised controlled trial.

[This corrects the article DOI: 10.3389/fpsyt.2024.

Synthesis and crystal structures of five fluorinated diphenidine derivatives.

Diphenidine (), a dissociative anaesthetic, was first reported in 2013. Since then, a number of derivatives 2-methoxphenidine () have been produced by clandestine laboratories and sold as . Fluorinated diphenidines, namely, [1-(2,6-di-fluoro-phen-yl)-2-phenyl-eth-yl]di-methyl-aza-nium chloride, CHFN·Cl, (), [1-(2,6-di-fluoro-phen-yl)-2-phenyl-eth-yl](eth-yl)aza-nium chloride di-chloro-methane hemisolvate, 2CHFN·2Cl·CHCl, (), -but-yl[1-(2,6-di-fluoro-phen-yl)-2-phenyl-eth-yl]aza-nium chloride, CHFN·Cl, (), 1-[1-(2,6-di-fluoro-phen-yl)-2-phenyl-eth-yl]pyrrolidin-1-ium chloride, CHFN·Cl, (), and 1-[1-(2,3,4,5,6-penta-fluoro-phen-yl)-2-phenyl-eth-yl]piperidin-1-ium chloride, CHFN·Cl, (), were synthesized and structurally characterized by H, C and F NMR spectroscopy, and single-crystal X-ray diffraction.

The influence of hearing loss and hearing aid use on experienced emotion in everyday listening situations.

ObjectiveTo address the extent to which the emotional experience of everyday listening situations is impacted by hearing loss and hearing aid use.DesignAn exploratory prospective study with an observation arm and an intervention arm utilising smartphone-based ecological momentary assessment over 10 days. A hearing loss group was asked to wear and not wear their hearing aids on alternate days.

Threatened synanthropes depend on intact forests: a critical evaluation of Moore et al. (2023).

Synanthropes are known for their remarkable adaptability to coexist with humans, yet increased visibility exposes them to significant threats, such as hunting or conflict over resources. Moore et al.'s review 'The rise of hyperabundant native generalists threatens both humans and nature' (https://doi.

The hazards of chasing subgroups in neutral stroke trials.

Background: The majority of randomised controlled trials in acute stroke and many for prevention are neutral, i.e. they failed to reach statistical significance.

Effects of community-based rehabilitation on caregivers of people with schizophrenia in Ethiopia in the RISE trial.

Background: Schizophrenia is a severe mental health condition with high impact on those affected and their families. Community-based rehabilitation (CBR) is a recommended treatment component for schizophrenia in low- and middle-income countries (LMIC), as it seeks to address complex social, health and economic needs. There is little evidence on the effects of CBR on caregivers of people with schizophrenia.

Sex-specific attenuation of constant light-induced memory impairment and Clock gene expression in brain in hepatic Npas2 knockout mice.

NPAS2 (Neuronal PAS Domain Protein 2) is a component of the core circadian clock and the coordinated activity between central brain and peripheral liver clock proteins postulated to be instrumental for linking behaviour and metabolism. We investigated a conditional liver-specific knockout mouse model (Npas2-/- or cKO) to explore its function in activity, circadian rhythms and cognition (novel object recognition-NOR). Circadian rhythms showed no genotype differences.

Data-based tuning of bumpless feedforward for tracking of multi-phase trajectories with application to wire-bonding machine.

To improve the settling time for high-speed point-to-point motion, a piecewise-model feedforward controller is introduced which utilizes multiple inverse sub-models with bumpless transfer between them. As the transfer function of this bumpless feedforward controller is non-commutative and non-invertible, a set of special perturbation and reference inputs are designed to extract the signals required for computing the gradient of the cost function. In this way, the optimal parameters within different motion phases are found within an integrated process.

British Society of Gastroenterology practice guidance on the management of acute and chronic gastrointestinal symptoms and complications as a result of treatment for cancer.

Background: Survival rates after a diagnosis of cancer are improving. Poorly managed gastrointestinal (GI) side effects can interfere with delivery of curative cancer treatment. Long-term physical side effects of cancer therapy impinge on quality of life in up to 25% of those treated for cancer, and GI side effects are the most common and troublesome.

Sex-Specific Fall Trajectories and Associated Self-Reported Risk Factors: A Prospective Analysis of the 3-Year 5-Country DO-HEALTH Trial.

Objective: Few studies have explored specific trajectories or patterns of falls over time in older adults, and the role of sex and self-reported risk factors for these trajectories were overlooked. This study aimed to identify sex-specific fall trajectories over 3 years and the self-reported risk factors associated with each trajectory in European older adults.

Design: Observational analysis of DO-HEALTH, a double-blind, randomized controlled trial.

Short communication: "Gene expression patterns of the four cardiac chambers in the Thoroughbred horse".

Athlete horses' contraction and conduction of the healthy heart influences racing performance. Gene expression patterns in the horse heart are not yet fully investigated. We aimed to evaluate the gene expression from the four chambers of the heart overall and with focus on genes involved in the electrophysiology of the heart in Thoroughbred racehorses with no clinical cardiac abnormalities.

Lung cancer associated autoantibody responses are detectable years before clinical presentation.

The EarlyCDT-Lung® test detects elevated levels of tumour-associated autoantibodies generated in response to immune recognition of cancerous cells, and these autoantibodies have previously been shown to precede clinical presentation of lung cancer. Using a longitudinal cohort from the United Kingdom Collaborative Trial of Ovarian Cancer Screening (UKCTOCS) study, we have established that elevated autoantibodies can be detected an average of four years in advance of clinical presentation, and in some cases up to 8 years prior to clinical presentation. This is the first study to establish pre-diagnostic elevation of autoantibodies using samples from a longitudinal prospective clinical trial using a clinically validated and commercially available biomarker panel.

Genomic and phenotypic characterisation of isolates from canine otitis externa reveals high-risk sequence types identical to those found in human nosocomial infections.

Introduction: Canine otitis externa (OE) is a frequently-diagnosed condition in veterinary practices worldwide. is commonly associated with chronic and recalcitrant canine OE, but studies with detailed genomic and phenotypic characterisation of clinical isolates are lacking.

Methods: canine OE isolates ( = 253) were collected from different geographical locations in Europe and characterised with respect to antimicrobial resistance and biofilm formation.

Digital physical activity intervention via the Kidney BEAM platform in patients with polycystic kidney disease: a randomized controlled trial.

Background: In people living with polycystic kidney disease (PKD), physical inactivity may contribute to poor health-related quality of life (HRQoL). To date, no research has elucidated the impact of a PKD-specific physical activity programme on HRQoL and physical health. This substudy of the Kidney BEAM Trial evaluated the impact of a PKD-specific 12-week educational and physical activity digital health intervention for people living with PKD.

Evaluating CBT for health anxiety and obsessive compulsive disorder adapted for online delivery in the context of COVID-19.

Background: The COVID-19 pandemic has had a negative impact on the population's mental health, particularly for individuals with health anxiety (HA) and obsessive compulsive disorder (OCD). This is in conjunction with a significant change in accessibility of face-to-face psychological services which have had to rapidly adapt to the remote delivery of therapy.

Aims: Using a single-arm open trial design, the study aimed to evaluate the effectiveness of evidence-based CBT interventions for HA and OCD delivered via a blend of online therapist consultations interspersed with self-study reading materials.

Pharmacological Countermeasures for Long-Duration Space Missions: Addressing Cardiovascular Challenges and Advancing Space-Adapted Healthcare.

Future long-duration crewed space missions beyond Low Earth Orbit (LEO) will bring new healthcare challenges for astronauts for which pharmacological countermeasures (pharmacological countermeasures) are crucial. This paper highlights current pharmacological countermeasures challenges described in the ESA SciSpacE Roadmap, with a focus on the cardiovascular system as a model to demonstrate the potential implication of the challenges and recommendations. New pharmacological approaches and procedures need to be adapted to spaceflight (spaceflight) conditions, including ethical and reglementary considerations.

Target-triggered aptasensor using dual-colored dye-doped silica nanoparticles for simultaneous detection of ampicillin and oxytetracycline.

Antibiotic residues in milk pose public health risks by promoting antimicrobial resistance, necessitating advanced detection methods. This study presents a dual-color "turn-on" aptasensor for simultaneous detection of ampicillin (AMP) and oxytetracycline (OTC). Aptamer-functionalized silica nanoparticles doped with Rhodamine B isothiocyanate (apt-RBITC@SiO) and Alexa Fluor 488 (apt-AF488@SiO) serve as fluorescence probes, while multicore iron oxide nanoparticles (MIONs) act as capture probes.