Thieno[2,3-c]isoquinolines: A novel chemotype of antiproliferative agents inducing cellular apoptosis while targeting the G2/M phase and Tubulin.

In the era of modern synthetic methodology and advanced bio-evaluation techniques and considering the notorious history of hepatocellular carcinoma (HCC), hopeful expectations regarding novel bioactive chemotypes have grown dramatically. Among the widely versatile motifs in drug discovery studies are isoquinoline and thieno[2,3-b]pyridine. Herein, the molecular merging of both motifs evoked thieno[2,3-c]isoquinoline as a novel antiproliferative chemotype being hardly studied against HCC. Accordingly, compound series 4, 5, 7 and 8 were synthesized and bioevaluated against the HepG2 cell line. The role of C7-Ac/C8-OH substituents, C8-C9 unsaturation, 1H-pyrrol-1-yl ring closure at C1-NH2 and C6-Ph p-halo-substitution were biologically studied and successfully furnished the lead 5b while showing safe profile against Vero cells. Further, flow cytometric and Annexin V-FITC/PI apoptotic bio-investigations of 5b unveiled remarkable cell cycle arrest at the G2/M phase besides a 60-fold increase in apoptosis. The use of a DFT conformational study followed by Molecular docking and molecular mechanics/generalized born surface area scoring evoked potential tubulin-targeting activity of 5b at colchicine-binding site, which was confirmed by experimental evidence (Tub Inhib IC50 = 71 µM vs. 14 µM for colchicine). Accordingly, preserving C7-acetyl and optimizing halogen position while preserving [6S,7R]-stereochemistry is crucial for optimum binding to colchicine binding site of tubulin.

Correction: A cerium-based MOFzyme with multi-enzyme-like activity for the disruption and inhibition of fungal recolonization.

Correction for 'A cerium-based MOFzyme with multi-enzyme-like activity for the disruption and inhibition of fungal recolonization' by Hani Nasser Abdelhamid et al., J. Mater. Chem. B, 2020, DOI: 10.1039/d0tb00894j.

Comparison between Benzothiadizole-Thiophene- and Benzothiadizole-Furan-Based D-A-π-A Dyes Applied in Dye-Sensitized Solar Cells: Experimental and Theoretical Insights.

Three novel donor-acceptor-π-acceptor-type compounds (WS5, WS6, and WS7) were synthesized and investigated in dye-sensitized solar cells (DSSCs) exploring the effect of conjugated linkers on device performance. The new dyes showed strong light-harvesting ability in the visible region with relatively high molar absorption coefficients (>21 800 M-1 cm-1). This can be attributed to their intrinsic charge transfer (CT) from the arylamine to the acceptor group. Density functional theory (DFT) calculations revealed a favorable lowest unoccupied molecular orbital (LUMO) energy level, allowing efficient injection into the semiconductor conduction band after excitation. Upon application in DSSC devices, the WS5 dye containing 4,7-di(furan-2-yl)benzo[c][1,2,5]thiadiazole as conjugated linker mediated the highest device power conversion efficiency (PCE) amounting to 5.5%. This is higher than that of the WS6-containing dye based on the 4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole linker (3.5%) and the WS7 dye based on the 4-(thiophen-2-yl)benzo[c][1,2,5]thiadiazole linker (4.3%) under AM 1.5 G illumination. The present results show furan-based dye linker systems to have a significant potential for improving DSSC efficiencies.

Erratum: Superior Stability and Efficiency Over 20% Perovskite Solar Cells Achieved by a Novel Molecularly Engineered Rutin-AgNPs/Thiophene Copolymer.

[This corrects the article DOI: 10.1002/advs.201800568.].

Molecular Engineering of D-D-π-A-Based Organic Sensitizers for Enhanced Dye-Sensitized Solar Cell Performance.

A series of molecularly engineered and novel dyes WS1, WS2, WS3, and WS4, based on the D35 donor, 1-(4-hexylphenyl)-2,5-di(thiophen-2-yl)-1H-pyrrole and 4-(4-hexylphenyl)-4H-dithieno[3,2-b:2',3'-d]pyrrole as π-conjugating linkers, were synthesized and compared to the well-known LEG4 dye. The performance of the dyes was investigated in combination with an electrolyte based on Co(II/III) complexes as redox shuttles. The electron recombination between the redox mediators in the electrolyte and the TiO2 interface decreases upon the introduction of 4-hexylybenzene entities on the 2,5-di(thiophen-2-yl)-1H-pyrrole and 4H-dithieno[3,2-b:2',3'-d]pyrrole linker units, probably because of steric hindrance. The open circuit photovoltage of WS1-, WS2-, WS3-, and WS4-based devices in combination with the Co(II/III)-based electrolyte are consistently higher than those based on a I-/I3 - electrolyte by 105, 147, 167, and 75 mV, respectively. The WS3-based devices show the highest power conversion efficiency of 7.4% at AM 1.5 G 100 mW/cm2 illumination mainly attributable to the high open-circuit voltage (V OC).

Erratum: Novel and Stable D-A-π-A Dyes for Efficient Solid-State Dye-Sensitized Solar Cells.

[This corrects the article DOI: 10.1021/acsomega.7b00067.].

Encapsulation of Biosynthesized Nanosilver in Silica Composites for Sustainable Antimicrobial Functionality.

Silver nanoparticles (AgNPs) have become known as a broad-spectrum antimicrobial agent. The antimicrobial activity of AgNPs is dependent on the particle size and the dispersion status. In this study, a simple and effective approach is developed for sequestering the biosynthesized AgNPs in silica composites during the gel formation of MCM-41. Composites with different Ag concentrations of 0.034% (Ag1@MCM-41), 0.151% (Ag2@MCM-41), and 0.369% (Ag3@MCM-41) are synthesized and then heated at 400 °C to produce Ag1@MCM-41H, Ag2@MCM-41H, and Ag3@MCM-41H, respectively. The samples are characterized by flame atomic absorption spectrometry, Fourier-transform infrared spectroscopy, X-ray diffraction, N2 physisorption, scanning electron microscopy, transmission electron microscopy, and thermogravimetric analysis. The AgNPs are confirmed to be highly dispersed in the amorphous silica framework. The antimicrobial activity of the AgNP-silica samples is investigated against Staphylococcus aureus, Escherichia coli, and Candida albicans using the cup-plate and the plate-count techniques. The results show an excellent antimicrobial effect of these samples against the studied microorganisms. Importantly, the AgNP-silica samples are found to be stable up to 58 months under ambient conditions. These stable and powerful antimicrobial composites provide a more practical and effective strategy for combating biomedical pathogens and public health threats.

Superior Stability and Efficiency Over 20% Perovskite Solar Cells Achieved by a Novel Molecularly Engineered Rutin-AgNPs/Thiophene Copolymer.

Perovskite solar cells (PSCs) with efficiencies greater than 20% have been realized mostly with expensive spiro-MeOTAD hole-transporting material. PSCs are demonstrated that achieve stabilized efficiencies exceeding 20% with straightforward low-cost molecularly engineered copolymer poly(1-(4-hexylphenyl)-2,5-di(thiophen-2-yl)-1H-pyrrole) (PHPT-py) based on Rutin-silver nanoparticles (AgNPs) as the hole extraction layer. The Rutin-AgNPs additive enables the creation of compact, highly conformal PHPT-py layers that facilitate rapid carrier extraction and collection. The spiro-MeOTAD-based PSCs show comparable efficiency, although their operational stability is poor. This instability originated from potential-induced degradation of the spiro-MeOTAD/Au contact. The addition of conductive Rutin-AgNPs into PHPT-py layer allows PSCs to retain >97% of their initial efficiency up to 60 d without encapsulation under relative humidity. The PHPT-py/ Rutin-AgNPs-based devices surpass the stability of spiro-MeOTAD-based PSCs and potentially reduce the fabrication cost of PSCs.

Novel and Stable D-A-π-A Dyes for Efficient Solid-State Dye-Sensitized Solar Cells.

Two novel organic donor-acceptor-π-acceptor sensitizers, W7 and W8, have been applied in efficient solid-state dye-sensitized solar cells (ssDSSCs). Using 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenyl-amine) 9,9'-spirobifluorene (Spiro-OMeTAD) as hole-transport material (HTM), an excellent power conversion efficiency of 6.9% was recorded for W7, together with an excellent photocurrent of 10.51 mA cm-2 and a high open-circuit voltage of 880 mV under standard AM 1.5 G illumination (100 mW cm-2). The solid-state solar cells based on W8 showed an efficiency of 5.2%, with a good photocurrent of 9.55 mA cm-2 and an open-circuit voltage of 870 mV. Compared to that of the well-known WS2 sensitizer, the results show that the performance of the ssDSSC devices can be significantly improved by introducing triphenylamine moiety into their structure. In addition, results of photoinduced absorption spectroscopy show efficient dye regeneration for W7- and W8-based devices. A higher hole conductivity of the W7/HTM and W8/HTM layers compared to that of the WS2/HTM layer was observed, indicating an efficient charge transfer at the interfaces. The results obtained offer insights into the design of reliable and highly efficient ssDSSCs for large-scale applications.