Model Hamiltonians represent a convenient way of reducing complex problems of many-electron quantum mechanics to much simpler problems: they can fully reproduce the core behaviors of a system of interest by encoding only the dominant physical interactions and using only a small number of associated parameters. Model Hamiltonians have been successfully applied to describe many chemical and physical phenomena. Density matrix downfolding (DMD) [ 2015, 143 (10), 102814] allows the derivation of model Hamiltonians of any form in a systematically improvable fashion by matching the energy spectrum of Hamiltonians with those of the model Hamiltonians.
View Article and Find Full Text PDFWe sought to investigate the visual function, retinal features, and genotype-phenotype correlations of an Australian cohort of carriers. In this cross-sectional study, we evaluated carriers seen in Melbourne and Perth between 2013 and 2023 and healthy women seen between 2022 and 2023 in Melbourne. Visual acuity tests, fundus-tracked microperimetry, and retinal imaging were performed.
View Article and Find Full Text PDFBackground: Critically ill patients are at high risk of Intensive Care Unit (ICU) Acquired weakness, which negatively impacts clinical outcomes. Traditional muscle mass and nutritional status assessments are often impractical in the ICU. Ultrasound offers a promising, non-invasive alternative.
View Article and Find Full Text PDFClinical Relevance: The challenges of establishing retinal screening programs in rural settings may be mitigated by the emergence of deep-learning systems for early disease detection.
Background: Deep-learning systems have demonstrated promising results in retinal disease detection and may be particularly useful in rural settings where accessibility remains a barrier to equitable service provision. This study aims to evaluate the real-world performance of Thirona RetCAD for the detection of referable diabetic retinopathy and age-related macular degeneration in a rural Australian population.
Annually, 8.3 million tonnes of mismanaged plastic waste enter oceans, prompting the food packaging industry, a major contributor, to minimize its environmental footprint. Within the seafood sector, a nascent number of studies are exploring the impacts of various packaging solutions for distribution, yet clear insights remain elusive.
View Article and Find Full Text PDFSurv Ophthalmol
September 2024
Background: Dengue virus (DENV) nonstructural protein 1 (NS1) has multiple functions within infected cells, on the cell surface, and in secreted form, and is highly immunogenic. Immunity from previous DENV infections is known to exert both positive and negative effects on subsequent DENV infections, but the contribution of NS1-specific antibodies to these effects is incompletely understood.
Methods: We investigated the functions of NS1-specific antibodies and their significance in DENV infection.
Trackways provide essential data on the biogeographic distribution, locomotion and behaviour of dinosaurs. Cretaceous dinosaur trackways are abundant in the Americas, Europe, North Africa and East Asia, but are less well documented in Central Asia despite extensive exposure of Cretaceous terrestrial sedimentary rocks in the region. Here we report the presence of bipedal, tridactyl dinosaur trackways near the city of Mayluu Suu, Jalal Abad Oblast, north-western Kyrgyzstan, the first discovery of dinosaur trace fossils within the country.
View Article and Find Full Text PDFUlcerative colitis (UC) is a chronic inflammatory bowel disease characterised by relapsing and remitting mucosal inflammation of the colon. Despite primarily affecting the gastrointestinal tract, UC has various extraintestinal manifestations that often affect other organs and systems. Although pulmonary involvement is uncommon, organising pneumonia (OP), which affects the lung parenchyma, is one of the potential extraintestinal manifestations of UC.
View Article and Find Full Text PDFPurpose: To quantify the rate of idiopathic macular hole progression from presentation and identify factors that may influence stratification and urgency for surgical listing based on the initial optical coherence tomography scans.
Methods: The minimal linear diameter (MLD), base diameter (BD), and hole height on nasal and temporal sides of idiopathic macular hole were measured on spectral domain optical coherence tomographies, on initial presentation and just before surgery. Mean hole height, hole height asymmetry (absolute difference between nasal and temporal height), MLD/BD, and MLD change per day (MLD/day) were calculated for each patient.
Sci Total Environ
March 2023
Packaging is essential to protect food, inform consumers, and avoid food waste, yet it can also contribute to the environmental footprint of products. Recycling waste treatment potentially provides more environmental benefits than other options (e.g.
View Article and Find Full Text PDFThe classification of three-center two-electron (3c2e) bonds into supported (closed) or unsupported (open) was proposed by Lipscomb in his work on boranes and extended to transition metal complexes by Bau and co-workers. The species in which the interactions of the terminal atoms are negligible are called "unsupported bonds." Examples of chemical species that are said to exhibit such bonds are LiH, NaH, BH , Al(CH) , and [(μ-H)Cr(CO)] although the general criterion for distinguishing these types of bonds is somewhat qualitative.
View Article and Find Full Text PDFPhys Chem Chem Phys
July 2022
The nature of the three-center two-electron (3c2e) chemical bond is investigated by the Interference Energy Analysis (IEA) method and using a SC(2, 3) (spin coupled wave function with two electrons and three orbitals) approach for describing 3c2e bonds. In this approach, each center involved in the bonding contributes with a one-electron state for the interference process. The species H, Li, LiH, CH, CH, RCBeCR (R = H, CH), CH and CH are considered in the study.
View Article and Find Full Text PDFBackground: Actinomycosis is an uncommon endogenous bacterial infection caused by Actinomyces species, characterized by the development of abscesses, tissue fibrosis, and fistulisation. It remains a diagnostic challenge, due to its similarities with diverse aetiologies' presentation, such as neoplasms, tuberculosis, or fungal infections. Actinomyces bovis is a microorganism rarely reported as a cause of human disease.
View Article and Find Full Text PDFPhotochem Photobiol Sci
June 2022
The amplitude of the coronavirus disease 2019 (COVID-19) pandemic motivated global efforts to find therapeutics that avert severe forms of this illness. The urgency of the medical needs privileged repositioning of approved medicines. Methylene blue (MB) has been in clinical use for a century and proved especially useful as a photosensitizer for photodynamic disinfection (PDI).
View Article and Find Full Text PDFActa Ophthalmol
November 2022
Medical overuse-defined as the provision of health services for which potential harms exceed potential benefits-constitutes a paradigm of low-value care and is seen as a threat to the quality of care. Value in healthcare implies a precise definition of disease. However, defining a disease may not be straightforward since clinical data do not show discrete boundaries, calling for some clinical judgment.
View Article and Find Full Text PDFEur J Case Rep Intern Med
January 2022
Unlabelled: Primary adrenal lymphoma (PAL) is a very rare type of non-Hodgkin's lymphoma (NHL). Herein, we report a case of NHL of both adrenal glands in a 69-year-old man. The patient was admitted because of a 1-month history of B symptoms and symptomatic hypotension.
View Article and Find Full Text PDFCaffeine is an integral part of beverages, food, and medications. Severe intoxication of caffeine is rare, and reports are even scarcer. However, over-the-counter, unregulated sale of performance-enhancing compounds, such as caffeine, turns high-dose consumption into a real concern.
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