Inkjet printing was used for the preparation of ternary polymer/polymer/fullerene layers for organic solar cell application, as part of a combinatorial setup for the preparation and characterization of thin-film libraries. Poly(phenylene-ethynylene)-alt-poly(phenylene-vinylene) (PPE-alt-PPV) and poly(diketopyrrolopyrrole-alt-fluorene) (P(DPP-alt-F)) were systematically blended with poly(3-octylthiophene) (P3OT) and investigated by UV-vis spectroscopy to improve the photon harvesting by extending the absorption range. The blends with the broadest absorption range (20 and 40 wt % of PPE-alt-PPV and P(DPP-alt-F), respectively) were mixed with mono(1-[3-(methoxycarbonyl)propyl]-1-phenyl)-[6,6]C61 (PCBM). The blend with the low band gap polymer P(DPP-alt-F) revealed the most extended absorption, which ranges over the whole visible spectrum (350 to 750 nm). The mixing with PCBM (ratio 1/3) led to an optimal emission quenching and revealed a smooth film formation. In this contribution, we show that the combinatorial screening using inkjet printing represents an effective, time- and material-saving workflow for the investigation of polymer blend libraries, which is of high interest for the development of new materials for active layers in organic photovoltaics.
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http://dx.doi.org/10.1021/co400006q | DOI Listing |
Digit Discov
January 2025
School of Natural and Environmental Sciences, Newcastle University Newcastle Upon Tyne NE1 7RU UK
FEgrow is an open-source software package for building congeneric series of compounds in protein binding pockets. For a given ligand core and receptor structure, it employs hybrid machine learning/molecular mechanics potential energy functions to optimise the bioactive conformers of supplied linkers and functional groups. Here, we introduce significant new functionality to automate, parallelise and accelerate the building and scoring of compound suggestions, such that it can be used for automated design.
View Article and Find Full Text PDFBMC Bioinformatics
January 2025
Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing, 100190, China.
In recent years, combined drug screening has played a very important role in modern drug discovery. Generally, synergistic drug combinations are crucial in treatment for many diseases. However, the toxic side effects of drug combinations are probably increased with the increase of drugs numbers, so the accurate prediction of toxic side effects of drug combinations is equally important.
View Article and Find Full Text PDFNature
January 2025
Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, CA, USA.
The human genome contains millions of candidate cis-regulatory elements (cCREs) with cell-type-specific activities that shape both health and many disease states. However, we lack a functional understanding of the sequence features that control the activity and cell-type-specific features of these cCREs. Here we used lentivirus-based massively parallel reporter assays (lentiMPRAs) to test the regulatory activity of more than 680,000 sequences, representing an extensive set of annotated cCREs among three cell types (HepG2, K562 and WTC11), and found that 41.
View Article and Find Full Text PDFCell Death Dis
January 2025
Center for Precision Medicine Research, Marshfield Clinic Research Institute, Marshfield Clinic Health System, Marshfield, WI, USA.
The orphan nuclear receptor NR2E3 has emerged as a potential tumor suppressor, yet its precise mechanisms in tumorigenesis require further investigation. Here, we demonstrate that the full-length protein isoform of NR2E3 instead of its short isoform activates wild-type p53 and is capable of rescuing certain p53 mutations in various cancer cell lines. Importantly, we observe a higher frequency of NR2E3 mutations in three solid tumors compared to the reference population, highlighting its potential significance in tumorigenesis.
View Article and Find Full Text PDFActa Pharm Sin B
December 2024
School of Pharmacy, Institute of Hepatology and Metabolic Diseases, Department of Hepatology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou 311121, China.
Specific tumor-targeted gene delivery remains an unsolved therapeutic issue due to aberrant vascularization in tumor microenvironment (TME). Some bacteria exhibit spontaneous chemotaxis toward the anaerobic and immune-suppressive TME, which makes them ideal natural vehicles for cancer gene therapy. Here, we conjugated ZIF-8 metal-organic frameworks encapsulating eukaryotic murine interleukin 2 () expression plasmid onto the surface of VNP20009, an attenuated strain with well-documented anti-cancer activity, and constructed a TME-targeted delivery system named /ZIF-8@.
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