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Understanding Anionic Hyperporphyrins: TDDFT Calculations on Peripherally Deprotonated -Tetrakis(4-hydroxyphenyl)porphyrin.
J Phys Chem A
January 2025
Department of Chemistry, UiT─The Arctic University of Norway, N-9037 Tromsø, Norway.
Presented herein is a DFT/TDDFT study of -tetrakis(4-hydroxyphenyl)porphyrin (H[THPP]) and its -deprotonated tetraanionic form; the latter was modeled as both a free tetraanion and with various counterions. Based on our calculations, the experimentally observed hyperporphyrin spectra are attributed to an admixture of phenol/phenoxide character into the a-type HOMO of tetraphenylporphyrin. The admixture results in an elevation of the orbital energy of the HOMO in relation to other frontier orbitals, which accounts for the observed spectral redshifts.
View Article and Find Full Text PDFThe field of π-conjugated organic materials has seen significant advances in recent years. However, enhancing the functionality of well-established, mass-produced compounds remains a considerable challenge, despite being an intriguing strategy for designing high-value organic materials with low production costs. In this context, vat dyes, known for their wide range of colors and extensive use in the textile industry are particularly attractive.
View Article and Find Full Text PDFDevelopment and validation of an integrated model for the diagnosis of liver cirrhosis with portal vein thrombosis combined with endoscopic characters and blood biochemistry data: a retrospective propensity score matching (PSM) cohort study.
Ann Med
December 2025
Endoscopic Diagnosis and Treatment Center, Gansu Provincial Hospital, Lanzhou, Gansu, China.
Background: Liver cirrhosis complicated by portal vein thrombosis (PVT) is a fatal complication with no specific manifestations but often misdiagnosed, it crucially increases the mortality worldwide. This study aimed to identify risk factors and establish a predictive model for diagnosis of venous thrombosis clinical by routine blood tests and endoscopic characteristics.
Methods: Patients from Gansu Provincial Hospital from October 2019 to December 2023 were enrolled.
Morphological Phylogeny of Dactylomyia Aldrich, 1894 (Diptera: Dolichopodidae: Neurigoninae), with Proposal of a New Synonym and Description of Five New Species.
Neotrop Entomol
January 2025
Museu de Zoologia, Univ de São Paulo, São Paulo, SP, Brazil.
Five new species of Dactylomyia Aldrich (Diptera: Dolichopodidae) are described from Brazil: Dactylomyia bipectinipes sp. nov. (Goiás, Mato Grosso do Sul, and Minas Gerais), D.
View Article and Find Full Text PDFSelf-reported determinants for subjective financial distress: a qualitative interview study with German cancer patients.
BMJ Open
January 2025
Department of Medical Oncology, Section Translational Medical Ethics, National Center for Tumor Diseases (NCT), NCT Heidelberg, a partnership between DKFZ and Heidelberg University Hospital, Medical Faculty Heidelberg, Heidelberg University, Heidelberg, Germany.
Objectives: Patient-reported financial effects of a tumour disease in a universal healthcare setting are a multidimensional phenomenon. Actual and anticipated objective financial burden caused by direct medical and non-medical costs as well as indirect costs such as loss of income can lead to subjective financial distress. To better understand subjective financial distress, the presented study explores self-reported determinants for subjective financial distress in German patients with cancer, aiming to inform a new German-language patient-reported outcome measure for determining the financial effects of a tumour disease.
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