Multi-Component Syntheses of Spiro[furan-2,3'-indoline]-3-carboxylate Derivatives Using Ionic Liquid Catalysts.

Two previously described Brønsted acidic ionic liquids, 3,3'-(1,6-hexanediyl)bis(1-methyl)-1H-imidazolium hydrogen sulfate (Cat1) and 1,1'-(1,6-hexanediyl)bis(pyridinium) hydrogen sulfate (Cat2), were used as catalysts for the preparation of spiro[furan-2,3'-indoline]-3-carboxylate derivatives via a three-component reaction of anilines, isatins (N-alkyl-indoline-2,3-diones), and diethyl acetylenedicarboxylate, in high yields. The use of ultrasonic (US) irradiation led to the targeted products (1a-15a) in high yields ranging from 80% to 98%. Under the same conditions, the use of sulfuric acid and acetic acid as a Brønstedt catalyst did not yield the desired benchmark product 1a.

Evolutionary-scale prediction of atomic-level protein structure with a language model.

Recent advances in machine learning have leveraged evolutionary information in multiple sequence alignments to predict protein structure. We demonstrate direct inference of full atomic-level protein structure from primary sequence using a large language model. As language models of protein sequences are scaled up to 15 billion parameters, an atomic-resolution picture of protein structure emerges in the learned representations. This results in an order-of-magnitude acceleration of high-resolution structure prediction, which enables large-scale structural characterization of metagenomic proteins. We apply this capability to construct the ESM Metagenomic Atlas by predicting structures for >617 million metagenomic protein sequences, including >225 million that are predicted with high confidence, which gives a view into the vast breadth and diversity of natural proteins.

Polyethylenimine Grafted onto Nano-NiFe2O4@SiO2 for the Removal of CrO42-, Ni2+, and Pb2+ Ions from Aqueous Solutions.

Polyethyleneimine (PEI) has been reported to have good potential for the adsorption of metal ions. In this work, PEI was covalently bound to NiFe2O4@SiO2 nanoparticles to form the new adsorbent NiFe2O4@SiO2-PEI. The material allowed for magnetic separation and was characterized via powder X-ray diffraction (PXRD), showing the pattern of the NiFe2O4 core and an amorphous shell. Field emission scanning electron microscopy (FE-SEM) showed irregular shaped particles with sizes ranging from 50 to 100 nm, and energy-dispersive X-ray spectroscopy (EDX) showed high C and N contents of 36 and 39%, respectively. This large amount of PEI in the materials was confirmed by thermogravimetry-differential thermal analysis (TGA-DTA), showing a mass loss of about 80%. Fourier-transform IR spectroscopy (FT-IR) showed characteristic resonances of PEI dominating the spectrum. The adsorption of CrO42-, Ni2+, and Pb2+ ions from aqueous solutions was studied at different pH, temperatures, metal ion concentrations, and adsorbent dosages. The maximum adsorption capacities of 149.3, 156.7, and 161.3 mg/g were obtained for CrO42-, Ni2+, and Pb2+, respectively, under optimum conditions using 0.075 g of the adsorbent material at a 250 mg/L ion concentration, pH = 6.5, and room temperature.

A Cu(ii) complex supported on Fe3O4@SiO2 as a magnetic heterogeneous catalyst for the reduction of environmental pollutants.

Today, the presence of pollutants in the environment has become one of the serious problems and concerns of human beings. To eliminate these pollutants, researchers have made many efforts. One of the most important of these efforts is the reduction of such contaminants in the presence of effective catalysts. Two of the most important and widespread types of these pollutants are nitro compounds and organic dyes. In this paper, we report the synthesis of an efficient and reusable magnetic catalyst using Fe3O4@SiO2 core-shell nanoparticles (NPs), N-(4-bromophenyl)-N'-benzoylthiourea, and copper(ii). Specifically, the Cu(ii)-N-(4-bromophenyl)-N'-benzoylthiourea complex supported on Fe3O4-core magnetic NPs (CM)/SiO2-shell (SS) (CM@SS-BBTU-Cu(ii)) has been prepared. CM@SS-BBTU-Cu(ii) was characterized by FT-IR (Fourier transform infrared spectroscopy), XRD (X-ray diffraction), TEM (transmission electron microscopy), HRTEM (high resolution transmission electron microscopy), FFT (fast Fourier transform), VSM (vibrating sample magnetometry), TG-DTA (thermogravimetry-differential thermal analysis), STEM (scanning transmission electron microscopy), EDS (energy-dispersive X-ray spectroscopy), and elemental mapping. The synthesized CM@SS-BBTU-Cu(ii) was applied for the reduction of 4-nitrophenol (4-NP), Congo red (CR), and methylene blue (MB) in the presence of NaBH4 (sodium borohydride) at room temperature. CM@SS-BBTU-Cu(ii) can be recycled and reused 5 times. Our results displayed that the performance of the catalyst was not significantly reduced by recycling.