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Molecules, Volume 30, Issue 3

February-1 2025 - 326 articles

Cover Story: This study presents the complete 1H and 13C NMR assignments for borneol, isoborneol, and their protected derivatives in multiple solvents. The protection of the hydroxyl groups induced distinct downfield/upfield chemical shift changes in the protons and carbons on the bicyclic rings, enabling unambiguous structural assignments. The experimental chemical shifts showed strong correlations with those calculated by the density functional theory (DFT). The iso-chemical shielding surface (ICSS) analysis further quantified the anisotropic effects of the benzene rings introduced by the protecting groups in the hydroxyl positions, revealing substituent-dependent shielding patterns. The systematic approach combining experimental NMR, computational modeling, and ICSS visualization provides powerful tools for the structural elucidation of complex natural products. View this paper
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Articles (326)

  • Article
  • Open Access
1 Citations
1,173 Views
9 Pages

6 February 2025

N,N-dimethylformamide’s (DMF) participation in domino reactions has been developed. Starting from substituted halogenobenzenes and selenium powder, versatile biologically active Se-phenyl dimethylcarbamoselenoate derivatives were efficiently sy...

  • Article
  • Open Access
3 Citations
2,088 Views
26 Pages

6 February 2025

A novel Schiff base, (E)-4-acetyl-N-(4-hydroxy-3-methoxybenzylidene)aniline (abbreviated as ANHMA), was synthesized and characterized using infrared and 1H- and 13C-NMR spectroscopies. Optical properties in different solvents were evaluated using UV-...

  • Article
  • Open Access
1 Citations
1,446 Views
12 Pages

Visible-Light-Mediated Aerobic α-Oxygenation of Tetrahydroisoquinolines and Isoindolines Without External Photocatalysts

  • Taiqiang Ye,
  • Yuzheng Li,
  • Feng Zhao,
  • Aorou Song,
  • Zhaoxia Zhong,
  • Shenpeng Tan and
  • Feng Li

6 February 2025

A visible-light-mediated strategy for the direct oxygenation of N-substituted tetrahydroisoquinolines and isoindolines to the corresponding benzo-fused lactams under clean conditions without using any external photocatalysts has been developed. The r...

  • Article
  • Open Access
11 Citations
4,965 Views
15 Pages

6 February 2025

Absorption of exudates is crucial for moist wound treatment, particularly in chronic wound care applications. However, controlling wound exudates with current gel-based wound dressings has challenges, such as the risk of bacterial infection during lo...

  • Article
  • Open Access
1,848 Views
15 Pages

6 February 2025

Peptides are an important class of biomolecules that perform many physiological functions and which occupy a significant and increasing share of the pharmaceutical market. Methods to determine the solid-state structures of peptides in different envir...

  • Article
  • Open Access
5 Citations
3,050 Views
14 Pages

Tuning the d-Band Center of Nickel Bimetallic Compounds for Glycerol Chemisorption: A Density Functional Study

  • Carlos M. Ramos-Castillo,
  • Luis Torres-Pacheco,
  • Lorena Álvarez-Contreras,
  • Noé Arjona and
  • Minerva Guerra-Balcázar

6 February 2025

The modification of catalytic activity through the use of metallic promoters is a key strategy for optimizing performance, as electronic factors play a crucial role in regulating catalytic behavior. This study explores the electronic factors behind t...

  • Article
  • Open Access
3 Citations
2,570 Views
13 Pages

6 February 2025

The Gibbs free energies of gallic acid (GA) and its anionic forms in aqueous solution were computed utilizing density functional theory (DFT) at the LSDA, M062X, B3LYP/QZVP levels, in conjunction with the SMD solvation model. The pKa values correspon...

  • Article
  • Open Access
7 Citations
3,215 Views
19 Pages

Oleanolic Acid Slows Down Aging Through IGF-1 Affecting the PI3K/AKT/mTOR Signaling Pathway

  • Yan Xu,
  • Jianlei Wei,
  • Wang Wang,
  • Zebin Mao,
  • Didi Wang,
  • Tao Zhang and
  • Pengxia Zhang

6 February 2025

Objective: A pentacyclic triterpene, oleanolic acid (OA), has anti-inflammatory activity. The role of oleanolic acid in aging is poorly understood, and the regulatory mechanism of IGF-1 signaling in aging is still not fully understood. Thus, we hypot...

  • Review
  • Open Access
4 Citations
3,648 Views
28 Pages

Raman Spectroscopy of Fullerenes: From C60 to Functionalized Derivatives

  • Yifan Qin,
  • Jilian Xu,
  • Zhewen Liang,
  • Haijun Teng,
  • Da Zhan and
  • Hai Xu

6 February 2025

Fullerenes, a unique allotrope of carbon, have captured significant attention in multiple scientific fields. As a non-destructive characterization technique, Raman spectroscopy has proven indispensable for investigating fullerenes and their derivativ...

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Molecules - ISSN 1420-3049