Push-pull π-conjugated molecules are one of the paradigms of second order nonlinear optical (NLO) materials and have been extensively explored. However, high-performance second order NLO materials with an optimum electron donor (D), π-bridge (π) and acceptor (A) under this paradigm are still the most sought-after. In the present work, D-π-A molecules with optimal D, π and A combination for strong second order NLO properties are proposed based on molecular orbital theories. The optimal D-π-A push-pull molecule achieves an unprecedentedly strong NLO response under the D-π-A paradigm, , the static first hyperpolarizability reaches -453.92 × 10 esu per heavy atom using azulene as part of the π-bridge and acceptor to synergistically reinforce the strength of the acceptor. The protocols of D-π-A NLO molecule design through frontier molecular orbital matching of D, π and A with optimal combination of electron donating and accepting strengths shed light on future molecular NLO materials exploration. The simulated two-dimensional second order spectra provide useful information (, sum frequency generation) on the applications of those D-π-A push-pull molecules in nonlinear optics.
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http://dx.doi.org/10.1039/d3cp03756h | DOI Listing |
BMC Cardiovasc Disord
December 2024
Department of Cardiology, The Second Affiliated Hospital of Wannan Medical College, 10# Kangfu road, Wuhu, Anhui Province, 241000, China.
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Methods: A retrospective analysis was conducted on 303 inpatients diagnosed with COVID-19 who visited a tertiary Grade A hospital in China between August 2022 and December 2023. Inclusion criteria required patients to have at least two electrocardiogram (ECG) recordings at three specific time points: before COVID-19 infection, during acute infection, and after recovery (more than one month post-infection).
Psychogeriatrics
January 2025
Heilongjiang Academy of Chinese Medicine Sciences, Harbin, China.
Background: Depression, as a common mental illness, is harmful and burdensome. As a country with a large elderly population, China has a heavy burden of depression going in the future. The study aims to portray the current situation of depression occurrence in middle-aged and elderly people in China and capture the risk triggers, in order to provide a theoretical basis for the improvement of the mental health status of middle-aged and elderly people, and the development of depression prevention, control and intervention strategies.
View Article and Find Full Text PDFTalanta
December 2024
State Key Laboratory of Natural Medicines, China Pharmaceutical University, China Pharmaceutical University, Nanjing, 211198, PR China. Electronic address:
A manganese porphyrin wrapped DNA dendrimer (Mn-DD) was developed through enzyme-free DNA self-assembly and simple and mild groove binding of porphyrin. The Mn-DD not only possessed plenty of manganese porphyrin to amplify the chemiluminescence (CL) signal, but also can be modified with diverse groups via DNA hybridization. Combined with an immunosensor array, Mn-DD can be utilized for CL immunoassay of multiple mycotoxins as a universal tag.
View Article and Find Full Text PDFPsychiatry Res
December 2024
Clinical Research Center, Shanghai Mental Health Center, Shanghai Jiao Tong University School of Medicine, Shanghai, China; Shanghai Key Laboratory of Psychotic Disorders, Shanghai, China. Electronic address:
Major depressive disorder (MDD) is one of the most prevalent and disabling mental disorders with high recurrence rate. There is often a gap between scientific evidence related to the effective and cost-effective treatment of depression and clinical practice. Implementation science is a field of inquiry that aims to advance the process of applying evidence-based interventions to real-world problems.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
December 2024
Department of Environmental Sciences and Technology, Central University of Punjab, Bathinda, 151001, Punjab, India.
In this study, water extract from Indian rosewood tree leaves was used to synthesize copper oxide nanoparticles (CuO NPs), further loaded on graphene oxide sheets to synthesize a novel nanocomposite (CuO@GO@IR). The maximum tetracycline removal was achieved at optimum conditions of pH 3, adsorbent dose 0.03g/50 mL, and 240 min contact time.
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