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The search for new antibacterial agents is an important task due to the emergence of resistance to widely used drugs. Bromine-, chlorine-, and nitro-substituted phenyl ring azomethines with long alkyl chains (C12, C14, C16, and C18) were synthesized and characterized using several experimental methods (NMR and IR spectroscopy, elemental analysis, mass spectrometry). Antibacterial and antifungal activity was tested on several cultures; the synthesized compounds show activity at the level of some commercial antiseptics. Lipophilicity (an important descriptor for predicting biological properties) of the experimentally synthesized and isomeric molecules was determined by three different approaches: quantum chemistry, machine learning (GraphormerLogP model), and an atom contribution model (RDKit library). The quantum-chemical method can account for any spatial arrangements and can be considered the most accurate of the approaches used, but it requires significant computational time. The atom contribution model is the fastest of the methods used, but it gives underestimated results, and different isomers have exactly the same values, in contrast to the quantum chemistry results. Machine learning-based methods (GraphormerLogP) demonstrate acceptable accuracy, sensitivity to isomerism, and orders-of-magnitude higher throughput, making them an optimal tool for high-throughput screening.

12 February 2026

Dependencies of relative energy from dihedral angle for ortho-(a) and meta-(b) isomers on the base of quantum-chemical calculations (r2SCAN-3c, vacuum). Bonds, forming a fixed dihedral angle, are shown in bold on the inserted structures. The arrow is shown near the bond around which the rotation occurs.

Effect of Unsaturation and Chain Length of Methyl Esters on the Corrosion Behavior of Aluminum

  • Oscar Enrique Catalan-Montiel,
  • Ana Karen Galvez-Larios and
  • José Gonzalo Gonzalez-Rodriguez
  • + 4 authors

In this study, the corrosion behavior of pure aluminum in methyl esters with different degrees of unsaturation and chain lengths, as found in biodiesel, was investigated using electrochemical techniques. The methyl esters evaluated included methyl acrylate (C4H6O2) and methyl linoleate (C19H34O2), which were added to methyl propionate (C4H8O2) and methyl oleate (C19H36O2), respectively. The electrochemical techniques employed were electrochemical impedance spectroscopy (EIS) and electrochemical noise (EN), complemented by detailed scanning electron microscopy (SEM) analyses. The results indicated that both the corrosion rate and the susceptibility to localized corrosion, such as pitting, increased with higher degrees of unsaturation and longer alkyl chain lengths. The corrosion process remained under charge transfer control and was not directly influenced by these factors. However, the charge transfer resistance decreased with increasing unsaturation and chain length, consistent with the observed increase in corrosion rate.

12 February 2026

Chemical structure of (a) methyl propionate, (b) methyl acrylate, (c) methyl oleate and (d) methyl linoleate.

The inadequate biosafety of MRI contrast agents (CAs) remains a challenging issue. Both increasing the magnetic relaxivity of CAs and targeting them through conjugation with folates are promising approaches to addressing this issue. Silica nanoparticles (SNs) with Mn2+ ions specifically localized in the outer layer were selected as the target for further surface modification for the covalent attachment of folates. It was shown that when Mn-containing SNs are conjugated with folates via preliminary amino modification of the surface silanol groups, the folate-conjugated SNs suffer from colloidal instability. Thus, precoating Mn-containing SNs with unfolded BSA exposes surface amino groups that successfully conjugate with folates without loss of colloidal stability. Partial washout of surface-localized Mn2+ follows folate conjugation of Mn-containing SNs, although residual Mn2+ ions provide r1(2) relaxivities of 62.1 (160.4) mM−1s−1 at 0.47 T.

11 February 2026

A synthetic scheme for optimizing the exposure time of folic acid for conjugation with nanoparticles to reduce manganese leaching. Results for SNs, designated as O-Mn(OX)@SNs-NH2-FA has been published in [14].

Throwing Light on -O–O- Bond: Organic Peroxides in Visible-Light Photocatalysis

  • Diana V. Shuingalieva,
  • Damir D. Karachev and
  • Alexander O. Terent’ev
  • + 4 authors

Visible-light photocatalysis enables the integration of classical electrophile/nucleophile chemistry with radical species (free radicals, radical cations, and radical anions) and metallocomplexes, significantly expanding the scope of organic transformations. Substrates capable of generating radicals via single-electron transfer (SET) are therefore of high value in this field. Among conventional radical precursors, organic peroxides occupy a distinctive position due to their unique reactivity. They can generate both oxygen-centered and carbon-centered radicals through either oxidative or reductive SET pathways. Furthermore, organic peroxides can act as radical precursors, nucleophiles, and oxidants. The review emphasizes the advancements of visible-light-mediated reactions utilizing the broad potential of organic peroxides for constructing various chemical bonds.

9 February 2026

Organic peroxides in photochemistry: a timeline of key discoveries [29,42,43,44,45,46].

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Chemistry - ISSN 2624-8549