ChemistrySelect最新文献

Heavy metal pollution poses significant environmental threats due to the non-biodegradable, persistent, and toxic nature of these metals. They accumulate in various environmental components, leading to contamination of water, soil, and air, which adversely affects ecosystems and human health. In the current study, a new set of 3-benzyloxy aniline-derived Schiff bases have been synthesized. Various spectroscopic techniques, including ¹H and ¹3C NMR, IR, TGA, and mass spectrometry have been used to characterize the synthesized Schiff Bases, 4(a-d). Among them, 4c demonstrated exceptional selectivity and sensitivity for Al(III) characterized by a color change from colorless to pale yellow with a detection limit of 14.2 × 10⁻⁸ M. Metal, complex of 4c and Al(III) has been synthesized and characterized using (¹H and ¹³C) NMR, FT-IR and mass spectrometry. Compound 4c was assessed for its efficacy against aluminum toxicity in Vigna radiata (Mung bean) and exhibited significant results in promoting plant survival under extreme metal stress. The potential biological applications of Schiff Base, 4c were investigated through in-silico studies targeting the protease enzyme pathway, which is crucial for the replication, survival, and various cellular functions of the dengue virus. The findings revealed a low inhibition constant of 383.45 nm and a high binding energy of −8.75 Kcal mol⁻¹, suggesting that ligand 4c may serve as an effective inhibitor against the dengue virus.

RETRACTION: P. Pradeepkumar, R. Sangeetha, S. Gunaseelan, P. Varalakshmi, A. A Chuturgoon, and M. Rajan, “Folic Acid Conjugated Polyglutamic Acid Drug Vehicle Synthesis through Deep Eutectic Solvent for Targeted Release of Paclitaxel,” ChemistrySelect 4, no. 35 (2019): 10225–10235, https://doi.org/10.1002/slct.201902256.

The above article, published online on 17 September 2019 in Wiley Online Library (wileyonlinelibrary.com), has been retracted by agreement between the journal Editor-in-Chief, Preeti Vashi; the publishing Chemistry Europe societies; and Wiley-VCH GmbH.

The retraction has been agreed following an investigation by the editorial office and Wiley. Part of the experimental data provided by the authors was found to be fabricated. The authors were not able to provide a satisfactory explanation. Accordingly, the conclusions of this manuscript have to be considered insufficiently supported.

Madurai Kamaraj University did not respond to requests by Wiley to investigate. The authors disagree with the decision to retract.

This study explores the role of cellulose paper composition—comprising holocellulose, hemicellulose, cellulose, and lignin—on the physical and chemical properties of eco-friendly green roof tiles. The investigation focuses on key performance metrics including hardness, water absorption, flammability, thermal stability, and overall composition. By incorporating recycled cellulose paper, these tiles not only contribute to reducing environmental waste but also support a circular economy in the construction industry. The results demonstrate that these eco-friendly tiles exhibit a significant increase in hardness (20 HCR units higher than commercial tiles), a reduced water absorption rate of approximately 13%, and good ignition resistance up to 284 °C, enhancing their durability and fire safety. Advanced analytical techniques, including Scanning Electron Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR), confirm the effective integration of cellulose fibers within the tile matrix, leading to a homogeneous chemical distribution. Statistical analysis further validates that these sustainable tiles outperform conventional materials in key performance areas. The findings emphasize the transformative potential of cellulose paper composition in creating sustainable, high-performance roofing materials.

This study explores the corrosion inhibition performance of novel organic compounds (C1–C10) on the Fe (110) metal surface using density functional theory (DFT) and Monte Carlo simulations (MC). The electronic properties, including HOMO (−5.209 to −5.294 eV), LUMO (−1.458 to −1.483 eV), and energy gaps (3.734–3.811 eV), were calculated. Compounds with lower energy gaps, such as C4 (3.734 eV), exhibited higher reactivity due to enhanced electron-donating ability. Global hardness (1.867–1.906 eV) and softness (0.262–0.268 eV⁻¹) further confirmed stability trends. Electron transfer (ΔN: 1.770–1.790) and back-donation energies from (−0.467 to −0.476 eV) indicated strong inhibitor-metal interactions. Monte Carlo simulations revealed adsorption energies ranging from −143.821 to −184.859 kcal/mol, confirming spontaneous adsorption. C10 demonstrated the highest adsorption energy (−184.859 kcal/mol) indicating superior stability and inhibition efficiency. The systematic addition of ─CH3 groups influenced electronic properties and adsorption behavior, with longer alkyl chains enhancing hydrophobic protection and electron-donating effects. The dipole moment values of the studied compounds (C1–C10) increase significantly from the gas phase to the aqueous phase (DMSO) indicating enhanced polarity and improved solubility in polar solvents. This study provides insights into designing effective corrosion inhibitors and highlights the utility of computational methods in predicting their performance.

Food and textile dye effluents cause major health issues. organic dyes in industrial effluent are hazardous which can be purified by adsorption. But carbon recycling is difficult, thus recyclable adsorbents are advantageous. In this context, SBA-15/propyl-NH₂ was synthesized, characterized, and used to adsorb food dyes (brilliant blue, allura red, tartrazine) in water. The removal effectiveness (%) of adsorbent was examined considering pH, dose, concentration, time, and temperature. The mechanism of adsorption was examined using pseudo-first- and pseudo-second-order kinetics. Langmuir, Freundlich, and Temkin isotherms were used to evaluate adsorbent-adsorbate interactions. The thermodynamic parameters (∆G°, ∆S°, and ∆H°) were evaluated and compared. Langmuir adsorption isotherm showed monolayer adsorption for all dyes with R² values around 1. With rate constant (k₂) of 0.0003 to 0.0013 g/mg min, the kinetics followed pseudo-second-order model. The adsorption capacity of SBA-15/propyl-NH₂ for tartrazine, brilliant blue, allura red was estimated at 403.22 mg/g, 395.25 mg/g, 485.43 mg/g respectively. Adsorption occurs with a decrease in free energy, a negative enthalpy, and a decrease in entropy at 25 °C. The adsorbent recyclability was confirmed over three cycles, with no reduction in removal effectiveness (%). Therefore, the SBA-15/propyl-NH₂ nanocomposite effectively separates food and textile dyes from water-based solutions.

Dative bond is an important term in chemistry. Research on the formation of dative bonds in fullerene molecules can further expand the applications of these important molecules. In this study, we found that the strain release of fullerene molecules can drive the formation of dative bonds. The greater the strain release of the fullerene molecule, the more stable the resulting dative bonds. The strain-release processes of fullerenes, on the one hand, allow fullerenes to act as electron acceptors to form the N→C dative bonds with NH₃, and on the other hand, enable fullerenes to act as electron donors to form the C→B dative bonds with BH₃. Further studies have found that the N→C dative bonds are of covalent bonds, while the C→B dative bonds are of charge-shift bonds. The conclusions of this study can also be extended to other molecules with strain that form dative bonds.

In this study, a new lawsone derivative molecule (2) was synthesized, and sensors were prepared using it as electroactive material (ionophore). These sensors exhibited selectivity towards Cr³⁺ ions among different cationic species. The polymer membrane contained 3.0% ionophore, 64.0% dibutyl phthalate (DBP), 32.0% polyvinylchloride (PVC) and 1.0% lipophilic additive (KTpClPB). For this novel potentiometric sensor, linear concentration range, Nernstian slope, detection limit, pH working range and response time were determined as 1.0 × 10⁻¹–1.0 × 10⁻⁷  M, 21.8 ± 1.7 mV/decade, 7.65 × 10⁻⁸  M, 5.0–9.0 and 8 s, respectively. The analytical application of the sensor was carried out by determining Cr³⁺ in samples to which certain amounts of Cr³⁺ ions were added. The newly developed sensor was able to determine Cr³⁺ ions in different samples with very high recoveries.

RETRACTION: R. A. Praphakar, A. A. Alarfaj, M. A. Munusamy, V. N. A. Dusthackeer, S. K. Subbiah, and M. Rajan, “Phosphorylated κ-Carrageenan-Facilitated Chitosan Nanovehicle for Sustainable Anti-Tuberculosis Multi Drug Delivery,” ChemistrySelect 2, no. 24 (2017): 7100–7107, https://doi.org/10.1002/slct.201701396.

The above article, published online on 22 August 2017 in Wiley Online Library (wileyonlinelibrary.com), and its correction (https://doi.org/10.1002/slct.202004729) have been retracted by agreement between the journal Editor-in-Chief, Preeti Vashi; the publishing Chemistry Europe societies; and Wiley-VCH GmbH.

The retraction has been agreed following an investigation based on allegations that the results were fabricated, which were raised by a third party after publication of the Correction. The experimental data provided by the authors was not comprehensive and contained additional inconsistencies. The authors were not able to provide a satisfactory explanation. Accordingly, the conclusions of this manuscript have to be considered insufficiently supported.

Madurai Kamaraj University did not respond to requests by Wiley to investigate. The authors disagree with the decision to retract.

A sustainable and efficient synthesis of new spiro[pyrrolo[1,2-a]pyrazin]-2-ones was developed using N-protected isatins, N-substituted piperazines, and chalcones under ultrasonic conditions in [C₁₂C₁₂BIm]Br, a green ionic liquid. The reaction proceeds through a 1,3-dipolar cycloaddition between an in situ generated azomethine ylide and chalcone. This approach offers several advantages, including its environmental friendliness, mild reaction conditions, and the recyclability of the ionic liquid.