Vibronic Structure of the UV/Visible Absorption Spectra of Phenol and Phenolate: A Hybrid Density Functional Theory─Doktorov's Quantum Algorithm Approach.

The Doktorov's quantum algorithm has been enacted in combination with time-dependent density functional theory (TD-DFT) to simulate the vibronic structure of the UV/visible absorption spectra of the phenol and phenolate molecules. On the one hand, DFT and TD-DFT are employed with classical algorithms to calculate the ground and excited-state electronic structures as well as their vibrational frequencies and normal modes, whereas, on the other hand, quantum algorithms are employed for evaluating the vibrational transition intensities. In comparison to a previous study, , 128, 4369-4377, which demonstrated Doktorov's quantum algorithm as a proof of concept to predict the vibronic structure of ionization spectra, it is applied here to medium-size molecules with more than 30 vibrational normal modes, without accounting for Duschinsky rotations due to software limitations.

Hippocampal avoidance prophylactic cranial irradiation (HA-PCI) for small cell lung cancer better preserves white matter networks compared to conventional PCI.

Background: Hippocampal avoidance during prophylactic cranial irradiation (HA-PCI) is proposed to reduce neurocognitive decline, while preserving the benefits of PCI. We evaluated whether (HA-)PCI induces changes in white matter (WM) microstructure and whether sparing the hippocampus has an impact on preserving brain network topology. Additionally, we evaluated associations between topological metrics with hippocampal volume and neuropsychological outcomes.

Nuclear Quadrupolar Resonance Structural Characterization of Halide Perovskites and Perovskitoids: A Roadmap from Electronic Structure Calculations for Lead-Iodide-Based Compounds.

Metal halide perovskites, including some of their related perovskitoid structures, form a semiconductor class of their own, which is arousing ever-growing interest from the scientific community. With halides being involved in the various structural arrangements, namely, pure corner-sharing MX (M is metal and X is halide) octahedra, for perovskite networks, or alternatively a combination of corner-, edge-, and/or face-sharing for related perovskitoids, they represent the ideal probe for characterizing the way octahedra are linked together. Well known for their inherently large quadrupolar constants, which is detrimental to the resolution of nuclear magnetic resonance spectroscopy, most abundant halide isotopes (Cl, Br, I) are in turn attractive for magnetic field-free nuclear quadrupolar resonance (NQR) spectroscopy.

Genetic investigations into the use of sensory evaluation: The case of boar taint discrimination in Pietrain sired crossbreds.

Using genetic selection for raising intact boars, which improves growth and feed efficiency, is a promising alternative to castration for mitigating boar taint. Selective breeding has the potential to help to identify and select for genetic lines with a reduced risk of boar taint. Common phenotypes are laboratory measurements of skatole (SKA) and androstenone (ANON) i.

A Modern Education Theory Approach to Development of a Benchtop Simulation Model for Ultrasound-Guided Percutaneous Nephrolithotomy.

To develop and validate a high-fidelity, nonbiohazardous simulator model for the ultrasound-guided percutaneous nephrolithotomy procedure. We employed a systematic framework based on Delphi consensus and modern education theory to design a simulation model. Twelve expert surgeons provided input through a hierarchal task analysis and identified procedural tasks, anatomical landmarks, and potential errors.

Unobtrusive Nighttime Movement Monitoring to Support Nursing Home Continence Care: Algorithm Development and Validation Study.

Background: The rising prevalence of urinary incontinence (UI) among older adults, particularly those living in nursing homes (NHs), underscores the need for innovative continence care solutions. The implementation of an unobtrusive sensor system may support nighttime monitoring of NH residents' movements and, more specifically, the agitation possibly associated with voiding events.

Objective: This study aims to explore the application of an unobtrusive sensor system to monitor nighttime movement, integrated into a care bed with accelerometer sensors connected to a pressure-redistributing care mattress.

Synaptic sabotage: How Tau and α-Synuclein undermine synaptic health.

Synaptic dysfunction is one of the earliest cellular defects observed in Alzheimer's disease (AD) and Parkinson's disease (PD), occurring before widespread protein aggregation, neuronal loss, and cognitive decline. While the field has focused on the aggregation of Tau and α-Synuclein (α-Syn), emerging evidence suggests that these proteins may drive presynaptic pathology even before their aggregation. Therefore, understanding the mechanisms by which Tau and α-Syn affect presynaptic terminals offers an opportunity for developing innovative therapeutics aimed at preserving synapses and potentially halting neurodegeneration.

Case 336.

A 10-month-old female infant, who was second-born, was referred for progressive macrocephaly, axial hypotonia, developmental delay, and limb stiffness. Birth had occurred at 41 weeks, after an uneventful pregnancy and delivery, to nonconsanguineous parents. Noticeably, the child could not hold her head up at 4 months or sit at 10 months of age.

Bacillus subtilis Intraspecies Interactions Shape Probiotic Activity Against Salmonella Typhimurium.

Commercial probiotics are often formulated as multi-strain cocktails, but the effects of social interactions, particularly between strains of a species, are often neglected, despite their potential to contribute to higher-order interactions where these interactions could affect those with a third party. In this study, we investigated the probiotic potential of a collection of Bacillus subtilis strains against Salmonella Typhimurium in single-strain and mixed cultures. The results indicate a promising probiotic potential of B.

The genome of the solitary bee Tetrapedia diversipes (Hymenoptera, Apidae).

Tetrapedia diversipes is a Neotropical solitary bee commonly found in trap-nests, known for its morphological adaptations for floral oil collection and prepupal diapause during the cold and dry season. Here, we present the genome assembly of T. diversipes (332 Mbp), comprising 2,575 scaffolds, with 15,028 predicted protein-coding genes.

Coconut Oil Mitigates the Effects of Aging on the Mongolian Gerbil Prostate.

Background: Benign prostatic hyperplasia (BPH) is a disease linked to the hormonal imbalance that occurs during aging and over the last decades, complementary and alternative medicines have come on the scene as a treatment option for BPH, such as herbal medicines. Coconut oil has been shown to be capable of interfering in testosterone-induced BPH. However, until now there is no study of the effect of coconut oil during aging.

Metastastic Tumors to the Lacrimal Gland from Distant Primary Cancer.

Purpose: To characterize the clinical, radiological, and pathological features of patients with metastases to the lacrimal gland from distant primaries.

Methods: Multicentre retrospective case series and a review of the literature of cases of metastases to the lacrimal gland.

Results: We present 4 cases of lacrimal gland metastases, with the primaries being renal cell (n = 2) and breast (n = 2) carcinoma.

Small-angle X-ray scattering of engineered antigen-binding fragments: the case of glycosylated Fab from the Mannitou IgM antibody.

Monoclonal antibodies recognizing nonprotein antigens remain largely underrepresented in our understanding of the molecular repertoire of innate and adaptive immunity. One such antibody is Mannitou, a murine IgM that recognizes paucimannosidic glycans. In this work, we report the production and purification of the recombinant antigen-binding fragment (Fab) of Mannitou IgM (Mannitou Fab) and employ a combination of biochemical and biophysical approaches to obtain its initial structural characterization.

The potential of experience sampling methods in palliative care.

Background: Experience sampling methods typically involve multiple self-report assessments per day over consecutive days. Unlike traditional patient-reported outcome measures or interviews, such methods offer the possibility to capture the temporal fluctuations of experiences in daily environments, making them valuable for studying the daily lives of people with advanced illness. Yet, their use in palliative care research is limited.

The Restoration of the Prearthritic Joint Line Does Not Guarantee the Natural Knee Kinematics: A Gait Analysis Evaluation Following Primary Total Knee Arthroplasty.

Background: Unrestricted kinematic alignment (uKA) in total knee arthroplasty (TKA) has the theoretical advantage of reproducing patients' constitutional alignment and restoring the pre-arthritic joint line position and obliquity. However, modifications of the original uKA technique have been proposed due to the potential risk of mechanical failure and instability. Given the significant variability in soft tissue behavior within the same bony morphology group, uKA pure knee resurfacing could be occasionally detrimental.

Key role played by mesophyll conductance in limiting carbon assimilation and transpiration of potato under soil water stress.

Introduction: The identification of the physiological processes limiting carbon assimilation under water stress is crucial for improving model predictions and selecting drought-tolerant varieties. However, the influence of soil water availability on photosynthesis-limiting processes is still not fully understood. This study aimed to investigate the origins of photosynthesis limitations on potato () during a field drought experiment.

Combined use of pritelivir with acyclovir or foscarnet suppresses evolution of HSV-1 drug resistance.

The widespread use of antivirals in immunocompromised individuals has led to frequent occurrences of drug-resistant herpes simplex virus 1 (HSV-1) infections. Current antivirals target the viral DNA polymerase (DP), resulting in cross-resistance patterns that emphasize the need for novel treatment strategies. In this study, we assessed whether combining antivirals with different targets affects drug resistance emergence by passaging wild-type HSV-1 under increasing concentrations of acyclovir (ACV), foscarnet (phosphonoformic acid, PFA), or the helicase-primase inhibitor pritelivir (PTV), individually or in combination (ACV + PTV or PFA + PTV).

Efficacy and Safety of Bintrafusp Alfa, a Bifunctional Fusion Protein Targeting Transforming Growth Factor-β and Programmed Death-Ligand 1, Plus Chemotherapy in Patients With Stage IV NSCLC.

Introduction: In a phase 1 study, bintrafusp alfa was found to have an encouraging clinical activity in patients with previously treated advanced NSCLC. This study evaluated the safety and efficacy of bintrafusp alfa with chemotherapy in patients with stage IV NSCLC regardless of the programmed death-ligand 1 (PD-L1) expression status.

Methods: In this open-label, phase 1b/2 study (NCT03840915), eligible patients were assigned to one of four cohorts.

A multi-model approach identifies ALW-II-41-27 as a promising therapy for osteoarthritis-associated inflammation and endochondral ossification.

Low-grade inflammation and pathological endochondral ossification are key processes underlying the progression of osteoarthritis, the most prevalent joint disease worldwide. In this study, we employed a multi-faceted approach, integrating publicly available datasets, analyses, experiments and models to identify new therapeutic candidates targeting these processes. Data mining of transcriptomic datasets identified EPHA2, a receptor tyrosine kinase associated with cancer, as being linked to both inflammation and endochondral ossification in osteoarthritis.

Mapping environmental perceptions in Romania: A mixed-methods research.

The present study investigates environmental perceptions in Romania, emphasizing their role in shaping individual and collective responses to ecological challenges. By exploring how people understand and interact with their natural environment, the research aims to explore values, needs, behaviors, and motivations that drive pro-environmental actions. We used a mixed-methodology approach, combining qualitative and quantitative analyses to capture a comprehensive view of these perceptions.

Unveiling the role of sintering temperatures in the physical properties of Cu-Mg ferrite nanoparticles for photocatalytic application.

This research presents an explicit analysis of the effects of sintering temperature (T) on the structural, morphological, magnetic, and optical properties of CuMgFeO nanoferrites synthesized via the sol-gel method. To accomplish it, Cu-Mg ferrite NPs were sintered at temperatures ranging from 300 to 800 °C in increments of 100 with a constant holding duration of 5 h. Thermogravimetric analysis was used to observe the degradation of organic components and the thermally stable zone of the material.

Multidisciplinary consensus-based statement on the current role of middle meningeal artery embolization (MMAE) in chronic SubDural hematoma (cSDH).

Introduction: Middle Meningeal Artery Embolization (MMAE) in patients with chronic SubDural Hematoma (cSDH) is a novel treatment approach, albeit the specific role of MMAE in the treatment of cSDH is not yet defined.

Research Question: The aim of this work is to provide a consensus-based statement from a multidisciplinary panel on the current role of MMAE in patients with cSDH.

Materials And Methods: A literature search was performed using the keywords MMAE and cSDH.