Seventeen electronic states of the dication VH were characterized by the SA-CASSCF/icMRCI methodology using very extended basis sets; 11 were described for the first time. Potential energy curves were constructed and the associated spectroscopic parameters evaluated. Triplet and quintet states correlating with the V + H channel are thermodynamic stable.
View Article and Find Full Text PDFBond dissociation energies (BDEs) and spectroscopic parameters for the ground states of YbO and NoO were calculated at the Brueckner doubles (BD(T)) level and for NoO at the coupled cluster CCSD(T) level based on the closed-shell configurations Yb(4f)O(2p) and No(5f)O(2p). For YbO, the BD(T) BDE (3.93 eV) and vibrational frequency (686.
View Article and Find Full Text PDFThis paper presents a new approach to measuring eyelid movement using millimeter wave (mmW) radar technology. A two-step method is proposed, involving the observation of a small resolution cell corresponding to the monitored eye and the evaluation of the phase evolution over the measurement period. Simulations are conducted to support radar system optimization and data interpretation with a focus on detecting eyelid movement patterns and compensating for interference from other parts of the body.
View Article and Find Full Text PDFThe nature of the Ni-S bond is investigated due to its role in the absorption of atmospheric Lewis acid gases such as SO and SO onto Ni surfaces. The vibrational frequency and electronic structure of NiS were predicted using CCSD(T), CASSCF, and internally contracted multireference configuration interaction (icMRCI) + Q. 43 density functional theory (DFT) functionals were benchmarked.
View Article and Find Full Text PDFPaget disease of bone (PDB) is a chronic skeletal disorder caused by abnormal bone remodeling. Although neurological complications are uncommon, they may arise in advanced cases, particularly with skull involvement.
View Article and Find Full Text PDFThe nature of the Ni-O bond is relevant to catalytic and environmental applications. The vibrational frequency and electronic structure of NiO were calculated using CASSCF, icMRCI+Q, CCSD(T), and DFT. CASSCF predicted a quintet state (Σ) ground state for the equilibrium bond distance with a state crossing at 1.
View Article and Find Full Text PDFHigh-level electronic structure calculations were conducted to examine the bonding and spectroscopic properties of the UO and UF diatomic molecules. The low-lying Ω states were described by using multireference SO-CASPT2 calculations. The adiabatic electronic affinity (AEA), adiabatic ionization energy (IE), and bond dissociation energy (BDE) were calculated at the Feller-Peterson-Dixon (FPD) level.
View Article and Find Full Text PDFVEXAS syndrome is a recently described autoinflammatory syndrome caused by the somatic acquisition of mutations in myeloid precursors and is frequently associated with hematologic malignancies, chiefly myelodysplastic syndromes. Disease presentation can mimic several rheumatologic disorders, delaying the diagnosis. We describe a case of atypical presentation resembling late-onset axial spondylarthritis, later progressing to a systemic inflammatory syndrome with chondritis, cutaneous vasculitis, and transfusion-dependent anemia, requiring high doses of steroids.
View Article and Find Full Text PDFUnlabelled: Background & Objectives: No prior studies have examined how length of training may influence wellness. As part of the Length of Training Pilot (LoTP), we explored resident and new graduate well-being according to program year and length of training in 3- and 4-year family medicine residency training programs.
Methods: Two surveys captured data included in these analyses.
The angular spectrum method is a rigorous method to synthesize near and far-field electromagnetic beams from planar field distributions. However, this limitation of planar surfaces has restricted its applicability to beams with simple focal planes. We propose a curved boundary integral method (CBIM) to synthesize electromagnetic beams from arbitrary surfaces to address this limitation and expand the method's scope to synthesize beams from and between shaped objects.
View Article and Find Full Text PDFTerahertz spectroscopy is a promising method to diagnose ocular diseases, where the cornea is typically imaged by Gaussian beams. However, the beam's mismatch with the cornea's spherical surface produces a 5-10 % error in analysis. We investigate cornea spectroscopy with wavefront-modified vector beams, reducing the original analysis error to less than 0.
View Article and Find Full Text PDFMie theory is a powerful method to model electromagnetic scattering from a multilayered sphere. Usually, the incident beam is expanded to its vector spherical harmonic representation defined by beam shape coefficients, and the multilayer sphere scattering is obtained by the T-matrix method. However, obtaining the beam shape coefficients for arbitrarily shaped incident beams has limitations on source locations and requires different methods when the incident beam is defined inside or outside the computational domain or at the scatterer surface.
View Article and Find Full Text PDFCase Report: A 68-year-old male treated with secukinumab for psoriatic arthritis suspended treatment for three months due to COVID pandemic. Upon secukinumab reintroduction, anorexia and weight loss ensued and four months later he had an abrupt onset of low-grade fever, fatigue, flu-like symptoms, dyspnoea and widespread inflammatory arthralgias. Laboratory investigations showed de novo anaemia, leukopenia, lymphopenia, cytocholestasis, elevated acute phase reactants, C3 complement consumption, proteinuria (1630mg/24h), active urine sediment, positive antinuclear (1:1280) and anti-double-stranded DNA (212.
View Article and Find Full Text PDFBackground And Objectives: Most research in residency training has focused on quality improvement within a single program. We explored resident involvement in curricular and clinical practice change, the learning environment, and resident satisfaction in 3-year family medicine residencies compared to matched 4-year residencies.
Methods: We used two surveys to capture data.
Morphological microwave imaging has shown interesting results on reconstructing biological objects inside the human body, and these parameters represent their actual biological condition, but not their biological activity. In this paper, we propose a novel microwave technique to locate the low-frequency (f≃1 kHz) -modulated signals produced by a microtag mimicking an action potential and proved it in a cylindrical phantom of the brain region. A set of two combined UWB microwave applicators, operating in the 0.
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