Introduction: This paper presents a theoretical concept and methodological approach for identifying critical determinants for behavior change interventions. The approach is based on established theories and constructs but represents them in an intervention- instead of questionnaire-oriented form. Six discriminant and targetable dimensions of behavior determinants are proposed: Consideration, feasibility, instrumental evaluation, norms and goals, affective evaluation, and needs and tension states.
View Article and Find Full Text PDFThe rovibrational spectrum of the water molecule is the crown jewel of high-resolution molecular spectroscopy. While its significance in numerous scientific and engineering applications and the challenges behind its interpretation have been well known, the extensive experimental analysis performed for this molecule, from the microwave to the ultraviolet, is admirable. To determine empirical energy levels for , this study utilizes an improved version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) scheme, which now takes into account multiplet constraints and first-principles energy-level splittings.
View Article and Find Full Text PDFThe water molecule, crucial to the chemical composition and dynamics of the universe, is typically identified in its gas phase via radio and submillimeter transitions, with frequencies up to a few THz. To understand the physicochemical behavior of astronomical objects, accurate transition frequencies are required for these lines. From a set of 26 new and 564 previous Lamb dip measurements, utilizing our ultrasensitive laser-based spectrometers in the near-infrared region, ultrahigh-precision spectroscopic networks were set up for H O and H O, augmented with 40 extremely accurate frequencies taken from the literature.
View Article and Find Full Text PDFObjective: Total hip arthroplasty (THA) is essential for treating severe osteoarthritis. With various surgical approaches available, there has been a shift toward techniques that offer quicker recovery and fewer complications. In this study, contrast-enhanced ultrasound was used to evaluate the impact of the minimally invasive anterolateral versus conventional lateral approach in THA on the gluteus medius muscle, focusing on muscle vitality and functional outcomes.
View Article and Find Full Text PDFNetwork theory has fundamentally transformed our comprehension of complex systems, catalyzing significant advances across various domains of science and technology. In spectroscopic networks, hubs are the quantum states involved in the largest number of transitions. Here, utilizing network paths probed via precision metrology, absolute energies have been deduced, with at least 10-digit accuracy, for almost 200 hubs in the experimental spectroscopic networks of HO and HO.
View Article and Find Full Text PDFBackground: Traumatic Ulcerative Granuloma with Stromal Eosinophilia, commonly known as Eosinophilic Ulcer, is a reactive solitary and self-limiting benign lesion. It manifests as a punched-out ulcer with a distinct surrounding indurated border, often raising concerns about malignancy.
Methods: A 44-year-old male presented with a painless, indurated tongue ulcer evolving over three months.
Detailed structural, dynamical, and vibrational analyses have been performed for systems composed of linear triatomic molecules solvated by a single rare-gas atom, He, Ne, or Ar. Among the chromophores of these van der Waals (vdW) dimers, there are four neutral molecules (CO, CS, NO, and OCS) and six molecular cations (HHe, HNe, HAr, HHeNe, HHeAr, and HNeAr), both of apolar and polar nature. Following the exploration of bonding preferences, high-level four-dimensional (4D) potential energy surfaces (PESs) have been developed for 24 vdW dimers, keeping the two intramonomer bond lengths fixed.
View Article and Find Full Text PDFThis computational study of line-broadening effects is based on an accurate, analytical representation of the intermonomer potential energy surface (PES) of the CO ⋅ Ar van der Waals (vdW) complex. The PES is employed to compute collisional broadening coefficients for rovibrational lines of CO perturbed by Ar. The semiclassical computations are performed using the modified Robert-Bonamy approach, including real and imaginary terms, and the exact trajectory model.
View Article and Find Full Text PDFThe structure of the title complex, [RuCl(CHNO)], exhibits point group symmetry . The structure exhibits disorder around a axis. The 4-meth-oxy-pyridine ligands have a propeller-like arrangement around the Ru atom at 52.
View Article and Find Full Text PDFA non-linear spectroscopic study of the HDO molecule is performed in the wavelength range of 1.36-1.42 m using noise-immune cavity-enhanced optical-heterodyne molecular spectroscopy (NICE-OHMS).
View Article and Find Full Text PDFCattle ranching has increased globally in the last decades, and although pasture expansion is well documented across different regions, there is little understanding of the intensity at which cattle operate in these areas. With freely available Sentinel-2 satellite imagery, we mapped for the first time polyethylene silage bags used for forage conservation in a year with the Random Forest algorithm, and proposed them as a spatial indicator of cattle intensity. For this, we combined monthly silage area with land cover and climatic variables in a regression framework to understand cattle intensity metrics at regional and farm scales throughout 20 million hectares in the Dry Chaco.
View Article and Find Full Text PDFFollowing the full realization of the importance of noncovalent interactions, finding and characterizing stationary points (SP), of various order, for weakly bound oligomers have become important tasks for computational chemists. An efficient algorithm and an associated computer code, called oligoCGO, are described, facilitating constrained geometry optimization of oligomers of arbitrary structure and complexity and normal-mode vibrational analysis at nonstationary geometries. To minimize the adverse effects of nonzero forces on harmonic vibrational analyses at constrained stationary points (cSP), two residual gradient correction (RGC) schemes are proposed.
View Article and Find Full Text PDFChest radiograph (CXR) is the most common imaging performed for both inpatients and outpatients. With advances in medicine and technology, newer devices/prosthesis are being used in the treatment of cardiothoracic conditions. Some of these are common while others are seen only in a handful of cases, especially in patients being treated or referred from tertiary care centers.
View Article and Find Full Text PDFBackground: Due to their abstract nature and lack of real-world application, theory development and testing are often difficult concepts for PhD students to embrace, especially within a virtual learning environment. Although experiential learning is a preferred method, there is a lack of evidence regarding its use in online PhD programs.
Method: Four PhD nursing students enrolled in a Foundations of Theory course participated in an innovative experiential learning project designed to introduce the process of theory development and testing.
Study Design: Experimental in-vivo animal study.
Objective: The aim of this study was to evaluate an Artificial Intelligence (AI)-enabled ultrasound imaging system's ability to detect, segment, classify, and display neural and other structures during trans-psoas spine surgery.
Summary Of Background Data: Current methodologies for intraoperatively localizing and visualizing neural structures within the psoas are limited and can impact the safety of lateral lumbar interbody fusion (LLIF).
Frequency combs and cavity-enhanced optical techniques have revolutionized molecular spectroscopy: their combination allows recording saturated Doppler-free lines with ultrahigh precision. Network theory, based on the generalized Ritz principle, offers a powerful tool for the intelligent design and validation of such precision-spectroscopy experiments and the subsequent derivation of accurate energy differences. As a proof of concept, 156 carefully-selected near-infrared transitions are detected for HO, a benchmark system of molecular spectroscopy, at kHz accuracy.
View Article and Find Full Text PDFMotivated by the energetic and environmental relevance of methane clathrates, highly accurate ab initio potential energy surfaces (PESs) have been developed for the three possible dimers of the methane and water molecules: (H2O)2, CH4·H2O, and (CH4)2. While only a single monomer geometry was used for each monomer in the ab initio calculations, the PES parameterization makes it possible to produce distinct surfaces for all isotopologues within the rigid-monomer approximation. The PESs were fitted to computations at the frozen-core coupled-cluster level with single, double, and non-iterative triple excitations, employing basis sets of augmented triple- and quadruple-zeta quality plus bond functions, followed by extrapolations to the complete basis set limit.
View Article and Find Full Text PDFSeveral significant improvements are proposed to the computational molecular spectroscopy protocol MARVEL (Measured Active Rotational-Vibrational Energy Levels) facilitating the inversion of a large set of measured rovibrational transitions to energy levels. The most important algorithmic changes include the use of groups of transitions, blocked by their estimated experimental (source segment) uncertainties, an inversion and weighted least-squares refinement procedure based on sequential addition of blocks of decreasing accuracy, the introduction of spectroscopic cycles into the refinement process, automated recalibration, synchronization of the combination difference relations to reduce residual uncertainties in the resulting dataset of empirical (MARVEL) energy levels, and improved classification of the lines and energy levels based on their accuracy and dependability. The resulting protocol, through handling a large number of measurements of similar accuracy, retains, or even improves upon, the best reported uncertainties of the spectroscopic transitions employed.
View Article and Find Full Text PDFIntroduction: Sleep bruxism (SB) is defined as a repetitive jaw muscle activity whose epidemiology in adolescents has been little studied. This cross-sectional study aimed to determine the prevalence of sleep bruxism and associated factors in adolescents.
Methodology: The sample consisted of 594 students aged 11 to 14 years old from Teresina, Piauí, Brazil.
The focal-point analysis (FPA) technique is used for the definitive characterization of conformational interconversion parameters, including activation energy barriers, activation free energies, and kinetic rate coefficients at 298 K, of two n-alkanes, n-butane, and n-pentane, yielding the first complete analysis of their interconversion kinetics. The FPA implementation developed in this study is based on geometry optimizations and harmonic frequency computations carried out with density functional theory methods and single-point energy computations up to the CCSD(T) level of electronic structure theory using atom-centered Gaussian basis sets as large as cc-pV5Z. The anharmonic vibrational computations are carried out, at the MP2/6-31G* level of theory.
View Article and Find Full Text PDFBackground: Health behavior change theories usually claim to be universally and individually applicable. Most research has tested behavior change theories at the interindividual level and within young-to-middle-aged populations. However, associations at the interindividual level can differ substantially from associations at the intraindividual level.
View Article and Find Full Text PDFThis study aims to evaluate the overall prognosis, prognostic factors, and efficacy of treatment in patients with mesial temporal lobe epilepsy with hippocampal sclerosis (MTLE-HS) who have access to third generation anti-epileptic drugs but not to epilepsy surgery. Eighty-five MTLE-HS patients were retrospectively placed into a seizure-free (seizure-free for >1year) or drug-resistant group, and the two groups were compared on the basis of age, sex, age at onset of seizures, duration of epilepsy, side of lesion, handedness, EEG findings, history of CNS infection, history of febrile convulsions, history of head trauma, history of cognitive impairment, family history of seizures, number of current anti-epileptic drugs (AEDs), total number of AED trials, and presence of individual AEDs. Only 24.
View Article and Find Full Text PDFLeakage of small pockets of air in to soft tissues of cheek along vascular bundle is reported in a patient with ulcerated oral malignancy with history of recent biopsy. Leakage occurred during an attempt to puff the cheek during CT examination of oral cavity. Hereto undocumented phenomenon was self limiting and did not lead to clinical disability.
View Article and Find Full Text PDFAs part of the regulatory approval process in Europe, comparison of endogenous soybean allergen levels between genetically engineered (GE) and non-GE plants has been requested. A quantitative multiplex analytical method using tandem mass spectrometry was developed and validated to measure 10 potential soybean allergens from soybean seed. The analytical method was implemented at six laboratories to demonstrate the robustness of the method and further applied to three soybean field studies across multiple growing seasons (including 21 non-GE soybean varieties) to assess the natural variation of allergen levels.
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