Dataset Information

The Tail Wags the Dog: The Far Periphery of the Coordination Environment Manipulates the Photophysical Properties of Heteroleptic Cu(I) Complexes.

ABSTRACT: In this work we show, using the example of a series of [Cu(Xantphos)(N^N)]+ complexes (N^N being substituted 5-phenyl-bipyridine) with different peripheral N^N ligands, that substituents distant from the main action zone can have a significant effect on the physicochemical properties of the system. By using the C≡C bond on the periphery of the coordination environment, three hybrid molecular systems with -Si(CH3)3, -Au(PR3), and -C2HN3(CH2)C10H7 fragments were produced. The Cu(I) complexes thus obtained demonstrate complicated emission behaviour, which was investigated by spectroscopic, electrochemical, and computational methods in order to understand the mechanism of energy transfer. It was found that the -Si(CH3)3 fragment connected to the peripheral C≡C bond changes luminescence to long-lived intra-ligand phosphorescence, in contrast to MLCT phosphorescence or TADF. The obtained results can be used for the design of new materials based on Cu(I) complexes with controlled optoelectronic properties on the molecular level, as well as for the production of hybrid systems.

SUBMITTER: Paderina A

PROVIDER: S-EPMC9000333 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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The Tail Wags the Dog: The Far Periphery of the Coordination Environment Manipulates the Photophysical Properties of Heteroleptic Cu(I) Complexes.

Paderina Aleksandra A Melnikov Alexey A Slavova Sofia S Sizov Vladimir V Gurzhiy Vladislav V Petrovskii Stanislav S Luginin Maksim M Levin Oleg O Koshevoy Igor I Grachova Elena E

Molecules (Basel, Switzerland) 20220330 7

In this work we show, using the example of a series of [Cu(Xantphos)(N^N)]+ complexes (N^N being substituted 5-phenyl-bipyridine) with different peripheral N^N ligands, that substituents distant from the main action zone can have a significant effect on the physicochemical properties of the system. By using the C≡C bond on the periphery of the coordination environment, three hybrid molecular systems with -Si(CH3)3, -Au(PR3), and -C2HN3< ...[more]

PMID: 35408648

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Project description:ObjectiveTo describe the characteristics of high-frequency hospital users (four or more hospitalizations in a year) and the consequences of including or excluding their data from a readmission-based measure.Data sources2015 and 2016 Massachusetts Medicaid data.Study designWe compare demographics, morbidity burden, and social risk factors for high- and low-frequency hospital users, and membership in 17 accountable care organizations. We evaluate how excluding hospitalizations of high-frequency users from a 30-day readmission measure (with or without risk adjustment) changes its rate and variability and affects performance rankings of accountable care organizations. The outcome is readmission within 30 days; each live discharge from a hospital contributes one observation.Data collection/extraction methodsWe studied 74 706 hospitalizations of 42 794 MassHealth members, 18-64 years old, managed-care-eligible, and ever hospitalized in 2016.Principal findingsAmong adult managed-care-eligible MassHealth members with at least one acute hospitalization, 8.7% were high-frequency hospital users; they contributed 30.2% of hospitalizations and 69.4% of readmissions. High-frequency users were more often male (77.1% vs. 50.0%; P < 0.001) and sicker (mean medical morbidity score was 3.3 vs. 1.9; P < 0.001) than others. They also had significant social risks: 33.1% with housing problems, 44.1% disabled, 83.2% with serious mental illness, and 77.1% with substance abuse disorder (vs. 22.0%, 27.3%, 60.2%, and 50.0%, respectively, for other hospital users [all P values <0.001]). Fully 50.7% of hospitalizations for high-frequency users led to 30-day readmissions (vs. 9.7%), contributing 72.0% of the variance in 30-day readmission, and substantially affecting judgments about the relative performance of accountable care organizations.ConclusionsA small group of high-frequency hospital users have a disproportionate effect on 30-day readmission rates. This negatively affects some Medicaid ACOs, and more broadly is likely to adversely affect safety net hospitals. How these metrics are used should be reconsidered in this context.

Dataset Information

The Tail Wags the Dog: The Far Periphery of the Coordination Environment Manipulates the Photophysical Properties of Heteroleptic Cu(I) Complexes.

Publications

The Tail Wags the Dog: The Far Periphery of the Coordination Environment Manipulates the Photophysical Properties of Heteroleptic Cu(I) Complexes.

Similar Datasets

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