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Excessive emission of CO2 has caused a critical greenhouse effect that is emerging as a major threat to the environment. Electrocatalytic reduction of CO2 is an advanced technology where chemically inert CO2 is reduced and can be used to produce value-added fuels or chemicals. In this work, the electrocatalytic performance of a single Cu atom embedded in a MoS2 monolayer with a sulfur vacancy for the electroreduction of CO2 is studied using density functional theory (DFT) with dispersion correction. The single Cu atom is stably located in the sulfur vacancy of the MoS2 monolayer. The multiple pathways explored here involve proton–electron pair transfer in the CO2 reduction reaction (CO2RR) to yield a variety of C1 products, such as HCOOH, CO, CH3OH and CH4. These pathways were examined using the corresponding free energy profiles and overpotentials. Among the different C1 products, CH4 formation is more favored via the following optimized pathway: *CO2 → *OCHO → *OCHOH → *OCH2OH → *OCH2 → *OCH3 → *OHCH3 → *OH + CH4 → H2O. The MoS2 monolayer with embedded Cu has enhanced CO2RR activity with an appreciably low overpotential compared to pristine MoS2. This study provides a deep understanding of the structure–reaction relationships and various mechanistic pathways of the CO2RR, and could aid in the design of high-performance single-atom electrocatalysts. [ABSTRACT FROM AUTHOR]

Iron nanoparticles are typically made from inorganic precursors, but for the first time, we synthesized-Fe2O3-NCs from goat blood (a bio-precursor) employing the RBC lysis method (a molecular level approach). After that, γ-Fe2O3-NPs were coated with PEG and combined with DOX to form nanocarriers (NC) for drug delivery. PEG–DOX–γ-Fe2O3-NCs were physicochemically investigated using A549 lung cancer cells as a model for in vitro and in vivo studies. The result revealed that PEG–DOX–γ-Fe2O3-NCs were 60–70 nm in size, confirming the presence of PEG and DOX in γ-Fe2O3-NCs. Cytotoxicity, morphological abnormalities, and intracellular iron recognition were observed in a dose-dependent manner in the cell line investigation. The presence of robust DOX signals in the nucleus shows that PEG–DOX–γ-Fe2O3-NCs were used for nuclear chemotherapy and cell uptake. In vivo, the rapid release of PEG–DOX–γ-Fe2O3-NCs was also observed. DOX suppresses carcinogenesis and has no toxicity in the healthy organs of tumor-bearing mice, according to investigated histological study. As a result, PEG–DOX–γ-Fe2O3-NCs synthesized from natural sources will be preferable to commercially available synthetic sources and can be employed as an anticancer agent. This nanocarrier will be developed in the future with various drug carrier systems for targeted nuclear treatment of cancer and other related diseases. [ABSTRACT FROM AUTHOR]

In this communication, we report the switchable phase transition occurring between the crystalline (C) and amorphous (A) states of CuSO4·5H2O, influenced by dynamic shock waves, and the results have been evaluated by X-ray diffraction and Raman spectroscopic techniques. The present experimental findings could promote a paradigm shift in identifying new multifunctional switching materials influenced by impact of shock waves. [ABSTRACT FROM AUTHOR]

To date, according to the available sources obtained from a literature survey, shock-wave-induced switchable phase transitions are yet to be understood concretely as compared to irreversible phase transitions, which is probably due to a lack of understanding regarding the relationship existing between the crystal structure and shock pressure. In the present study, the switchable phase transition of sodium sulfate crystals has been formulated and demonstrated under shock conditions, and the observed switchable sequence of phase transitions is phase-V–V–III–V–V when the number of shock pulses is 0, 1, 2, 3, and 4, respectively. The above-mentioned switchable phase transition is categorically proven using diffraction, spectroscopic, and microscopic techniques, and the title material is suggested for use in switching molecules and sensor applications due to its higher shock sensitivity. [ABSTRACT FROM AUTHOR]

The performance of Ru(ii) dye-sensitized nanocrystalline TiO2 solar cells (DSSCs) is described with newly synthesized multivalent macromolecules, containing excellent optoelectronic acridinedione linked with 1,2,3-triazole units, via a novel and convenient Cu(I)-catalyzed alkyne and azide 1,3-dipolar cycloaddition (CuAAC) reaction. These unique macromolecules have proved to be highly suitable for utilizing additives in I−/I3− redox couple electrolytes. Among the various substitutions, the maximum photo-current conversion efficiency of about 6.4% with a Voc of 810 mV was obtained with electron rich substitutions in the nitrogen heteroatom. [ABSTRACT FROM AUTHOR]

We have developed a one-pot, three-component, and solvent-free reaction for the synthesis of 3-aminofurans using a calcium catalyst. In this cascade reaction, the key intermediate, C,N-diacyliminium ion, is formed in situ from glyoxal and lactam, which further reacted with phenolic nucleophiles to form furan derivatives in good yields with broad substrate diversity. We also present here the preliminary photophysical studies of selected compounds.

An eco-friendly acetylcholine iodide-ethylene glycol (ACI/EG) deep eutectic mixture mediated green protocol has been developed for the synthesis of hitherto unexplored multi-functionalized linear tricyclic spiropyrrolo[1,2- b ]isoquinoline analogues. The effects of the synthesized compounds on the osteoblast differentiation of hBMSC-TERT cell lines were investigated and promising results were observed with significant IC 50 values. In addition, molecular modeling simulations were also performed with the 3D structure of BMP-2 to reveal binding interactions and orientations of highly potent spiropyrrolo[1,2- b ]isoquinoline analogues., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)