Results in Chemistry最新文献

{"title":"Chiral amino acid–based anthraquinones: synthesis, structural characterization, and structure–activity relationships in cancer cell lines","authors":"Juana M. Pérez ,&nbsp;Jorge Rodriguez-Criado ,&nbsp;Francisco Quiñonero ,&nbsp;Natalia Gutiérrez-Segura ,&nbsp;Mireya E. López-Vargas ,&nbsp;Arantxa Forte-Castro ,&nbsp;Ana Belén Ruiz-Muelle ,&nbsp;Pablo Salcedo-Abraira ,&nbsp;Antonio Rodríguez-Diéguez ,&nbsp;Consolación Melguizo ,&nbsp;José Prados ,&nbsp;Ignacio Fernández","doi":"10.1016/j.rechem.2026.103121","DOIUrl":"10.1016/j.rechem.2026.103121","url":null,"abstract":"<div><div>A new family of chiral amino acid-based anthraquinones has been synthesized and fully characterized by multinuclear magnetic resonance (¹H, ¹³C and ¹⁵N), elemental analysis, UV–Vis spectroscopy, circular dichroism, single-crystal X-ray diffraction and infrared spectroscopy. These molecules have been studied in different cancer cell lines (PANC-1, MCF-7, A549, SF268, HCT116) and a non-tumoral cell line (L-929) through different in vitro assays. The results showed that these molecules had dose-dependent antitumor effects, with compound <strong>4e</strong> showing the lowest IC₅₀ values across most tumor cell lines. Its crystal structure confirmed the enantiomeric purity and revealed π–π stacking interactions between anthraquinone and phenylalanine rings, features that may contribute to its enhanced biological performance. In addition, it was observed that the compounds had the ability to decrease cell migration and clonogenicity in the treated cell lines, demonstrating their ability to inhibit tumor malignancy processes. After studying possible molecular routes through which they induce their effect, it was shown that they are capable of inducing apoptosis and that they do not cause intracellular damage through the production of ROS. Therefore, these new synthesized compounds showed therapeutic potential in cancer, although further study of the molecular mechanisms involved in this antitumor activity is still needed.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103121"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Regium bonds between MCN (M = Cu, Ag, Au) and organic halocarbons","authors":"Ziyang Yue ,&nbsp;Jiankang Yu","doi":"10.1016/j.rechem.2026.103109","DOIUrl":"10.1016/j.rechem.2026.103109","url":null,"abstract":"<div><div>A theoretical study was performed on the regium bonds formed in the complexes of C_spn-X···MCN (<em>n</em> = 1–3; X = F, Cl, Br and I; M = Cu, Ag and Au) Systems at the MP2/aug-cc-pVTZ level. When halocarbons act as Lewis bases to provide lone pair electrons, regium bonds are formed, with the contribution of polarization energy increasing with the electron-withdrawing ability of the carbon hybrid type and the atomic radius of the halogen atom. Meanwhile, regium bonds in the C_spn-X···MCN system exhibit partially covalent properties, which are affected by substitution and hybridization effects to some extent. Natural bond orbital (NBO) analysis, atoms in molecules (AIM) C_spn-X···MCN calculations, and basis set superposition error (BSSE) correction were performed for these complexes. NBO results show that charge transfer (0.0245–0.3241 e) is positively correlated with interaction energy; AIM analysis confirms that electrostatic interaction is the main driving force for the stability of regium-bonded complexes, with BSSE correction values ranging from 0.52 to 2.37 kcal/mol, ensuring the reliability of interaction energy data.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103109"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An optimized and practical synthesis of (−)-Ambrox from (R)-carvone","authors":"Bingyang Wang ,&nbsp;Zhenfang Lan ,&nbsp;Qian Yang,&nbsp;Jie Ren,&nbsp;Huaxing Peng,&nbsp;Xuepeng Yang","doi":"10.1016/j.rechem.2026.103104","DOIUrl":"10.1016/j.rechem.2026.103104","url":null,"abstract":"<div><div>(−)-Ambrox is a benchmark ambergris odorant with extensive applications in perfumery and related industries. While we have previously reported a synthesis from (<em>R</em>)-carvone, its practical utility was hampered by the use of hazardous reagents (hydrazine hydrate and tert-butyllithium) and a moderate overall yield of 26%. This work addresses these critical limitations by developing an improvement: a safe and efficient three-step sequence for installing the 2-hydroxyethyl side chain. This new protocol, employing a nucleophilic addition of an ethyl acetate enolate followed by dehydration and reduction, completely eliminates the need for explosive and pyrophoric reagents. More importantly, this strategic modification directly elevates the overall yield to 42%, representing a greater than 60% increase in efficiency. The optimized route thereby provides a safer, more productive, and operationally simpler access to (−)-Ambrox, enhancing its potential for scalable preparation.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103104"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Telluropeptide synthesis and self-assembly: microstructural organization and oxidative response","authors":"Abhishek Tripathi ,&nbsp;Sushil Swaroop Pathak","doi":"10.1016/j.rechem.2026.103123","DOIUrl":"10.1016/j.rechem.2026.103123","url":null,"abstract":"<div><div>Self-assembling short peptides have appeared as versatile molecular systems for constituting well-ordered nanostructures with potential applications in materials science, biotechnology, and nanotechnology. Among them, chalcogen (O, S, Se)-containing peptide residues are of specific interest due to their capability in modulating stability, reactivity, and supramolecular arrangements of peptides. However, tellurium-incorporated peptides remain largely unexplored. Therefore, we report the synthesis of a Te-containing tripeptide Ac-Tec(4-MeC₆H₄)-Gly-Ala-NH₂, which organizes into well-defined tape-like microstructures after incubation in a phosphate buffer (pH ∼7.4) solution. Interestingly, these tape-like microstructures undergo a morphological transformation into chain-like and random microstructures upon oxidation with hydrogen peroxide (H₂O₂). These findings highlight the potential of telluropeptides as emerging organochalcogen motifs for tunable supramolecular design.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103123"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasound-treated citrus peels as functional biomaterial for heavy metals adsorption: structural, kinetic and isotherm studies","authors":"Senda Ben Jmaa ,&nbsp;Ola Abdelhedi ,&nbsp;Hamdi Bendif ,&nbsp;Walid Elfalleh ,&nbsp;Mourad Jridi","doi":"10.1016/j.rechem.2026.103092","DOIUrl":"10.1016/j.rechem.2026.103092","url":null,"abstract":"<div><div>Biosorption is an ecofriendly process for removing metals from aqueous solutions, offering advantages such as high efficiency, low cost and reduced generation of chemical sludge. The adsorption of three metals, iron, copper and cadmium, was evaluated using ultrasound (US)-treated orange and lemon peels as natural adsorbent materials. The used biosorbents were named T-OP and T-LP for US treated-orange and lemon peels, and UT-OP and UT-LP for untreated orange and lemon peels. Experiments of batch adsorption were done, as a function of solute concentration, adsorbent dose and contact time. The adsorption of the heavy metals was selective in the order of Cu²⁺ &gt; Cd²⁺ &gt; Fe²⁺. The results indicated that optimum conditions for copper adsorption were achieved with a sorbent dose of 0.5 g and a contact time of 60 min, resulting in a maximum Cu²⁺ sorption capacity of 15.28 mg/g (76%) for T-LP compared to 12.52 mg/g (59.6%) for the untreated one (UT-LP). However, in the case of Cd²⁺, T-OP gave the best sorption capacity of 12.20 mg/g (61%) at a contact time of 30 min and a sorbent dose of 0.5 g, outperforming the untreated orange peel (UT-OP), which achieved 10.9 mg/g (54.5%). Structural modifications were observed in the infrared spectra and electron microscopy images after the sorption of each metal using US-treated samples. The results of the adsorption models showed that the calculated equilibrium data fitted well to Langmuir with correlation coefficient (R²) of 0.994 for copper and to Freundlich with coefficient (R²) of 0.93 for cadmium. The pseudo-second order (R² = 1 and R² = 0.999) fitted well the both metals Cu²⁺ and Cd²⁺, respectively, suggesting a chemisorption process with chemical bands interactions. According to these data, the orange and lemon peel powders could be effective and environmentally absorbents to remove Cu²⁺ and Cd²⁺ metal ions from wastewater.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103092"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146096114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nectamazin A from Piper crocatum as a bioactive compound against oral and throat diseases: In vitro and in silico study","authors":"Ditta Atsna Nuriya Salsabila,&nbsp;Tati Herlina,&nbsp;Dikdik Kurnia","doi":"10.1016/j.rechem.2026.103103","DOIUrl":"10.1016/j.rechem.2026.103103","url":null,"abstract":"<div><div><em>Piper crocatum</em> is a potential medicinal plant with antimicrobial activity. It is commonly used to treat mouth and throat health disease by microbial colonization and biofilm formation. This study aims to isolation and evaluate the potential of bioactive compounds from <em>Piper crocatum</em> against pathogens oral and throat diseases using <em>in vitro</em> and <em>in silico</em> studies. Isolation was performed using bioactivity-guided and column chromatography, nectamazin A (<strong>1</strong>) was successfully obtain for the first time in <em>P. crocatum</em>. Antimicrobial activity was evaluated using the Kirby–Bauer and microdilution methods, showing strong inhibition against <em>S. pyogenes</em> (156.3 μg/mL) and <em>C. albicans</em> (312.5 μg/mL), moderate against <em>S. mutans</em> (625 μg/mL), and weak against <em>S. sanguinis</em> (1250 μg/mL). Nectamazin A (<strong>1</strong>) was tested through molecular docking against the enzymes PBP (−7.20 kcal/mol), SrtA (−5.46 kcal/mol), CYP51 (−7.01 kcal/mol), ERG11 (−9.31 kcal/mol), GtfB (−4.11 kcal/mol), and GtfP (−5.77 kcal/mol). ADMET evaluation showed that nectamazin A (<strong>1</strong>) met drug criteria and was verified through molecular dynamics simulation, showing a stable complex with ERG11 (RMSD 1.611 Å). This study highlights that nectamazin A (<strong>1</strong>) not been reported in <em>P. crocatum</em> and have potential as an antimicrobial agent.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103103"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of mesenchymal stem cell-loaded electrospun 12-PLGA/graphene oxide nanofiber scaffolds incorporating BMP-2 and VEGF for bone regeneration in dental applications","authors":"Elham Saberian ,&nbsp;Andrej Jenča ,&nbsp;Andrej Jenča ,&nbsp;Adriána Petrášová ,&nbsp;Janka Jenčová ,&nbsp;Faezeh Amiri ,&nbsp;Hadi Zare-Zardini","doi":"10.1016/j.rechem.2026.103126","DOIUrl":"10.1016/j.rechem.2026.103126","url":null,"abstract":"<div><div>This study investigates the synergistic effect of mesenchymal stem cells (MSCs) and electrospun nanofiber scaffolds for bone regeneration in endodontics. Biodegradable electrospun nanofiber scaffolds of 12% poly(lactic-<em>co</em>-glycolic acid) (PLGA) incorporating 1.5% graphene oxide (GO) were developed with fiber diameters of 880–928 nm to mimic the extracellular matrix. Dental pulp stem cells (DPSCs) were seeded onto scaffolds functionalized with bone morphogenetic protein-2 (150 ng/mL) and vascular endothelial growth factor (75 ng/mL) designed to promote osteogenesis and angiogenesis by incorporating BMP-2 and VEGF. Scaffold characterization revealed enhanced hydrophilicity with water contact angle decreasing from 120.7 ± 2.6° (PLGA) to 102.1 ± 3.1° (PLGA/GO/BMP-2/VEGF), mechanical properties with Young's modulus of 75–126 MPa, and high adsorption capacity (72% for hydrocortisone, &gt;90% for trans-resveratrol). Cell viability assays demonstrated &gt;90% DPSC survival at day 10 on PLGA/GO/BMP-2/VEGF scaffolds compared to ∼70% on PLGA controls. The scaffolds maintained structural integrity with interconnected porosity after 22 days of culture. SEM analysis confirmed extensive cellular infiltration and spreading throughout the 3D scaffold structure. These results demonstrate that MSC-loaded, BMP-2/VEGF-functionalized nanofibrous scaffolds with optimized physicochemical properties offer significant quantitative improvements for bone regeneration in dentistry.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103126"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent-dependent spectroscopic, molecular reactivity, FT-IR, FT-Raman, UV–Vis, NMR, frontier orbital analyses and electronic properties of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl) carbamoyl] sulfamate: A TD-DFT and molecular docking perspective","authors":"L. Sasikala,&nbsp;M. Prabhaharan","doi":"10.1016/j.rechem.2026.103133","DOIUrl":"10.1016/j.rechem.2026.103133","url":null,"abstract":"<div><div>The quantum chemical and molecular docking investigations of (2-ethoxyphenyl) <em>N</em>-[(4,6-dimethoxypyrimidin-2-yl) carbamoyl] sulfamate (EDPCS) were performed using the functional theory B3LYP combined with 6-311G (d,p) method. The optimized bond lengths and Bond angles confirm structural stability, and simulated FT-IR and Raman spectra revealed functional groups. The simulated NMR chemical shift of C₂₃ has the highest value, 181 ppm, and the HOMO-LUMO gap of the titled compound was calculated to be in the range of 5.33 to 5.54 eV for different solvents, which indicates the electronic stability of EDPCS. The NBO analysis shows good intramolecular charge transfer and the stabilization energies of up to 53.28 kJ/mol, confirming the presence of resonance effects. The Mulliken charges indicated reactive sites, while the thermodynamic results established that there was a stable system with an SCF energy of −1726.50 Hartree (−454.46 kcal/mol) and a dipole moment of 7.93 D. ELF, LOL, and ESP analyses provide information about molecular electron density distributions and potential electrophilic sites within EDPCS in various solvents, and the toluene provided the highest ESP polarity. Weak attractive interactions between the EDPCS molecule are highlighted by RDG and NCI analyses as significant stabilizing forces. The binding energy associated with the protein (5EK2) was determined to be −6.92 kcal/mol, through hydrogen bonding and hydrophobic attractions, using molecular docking studies. A variety of topological indices (Zagreb M1 = 132, M2 = 148; Randic = 12.86; Hyper Zagreb = 640) were used to characterise molecular connectivity and degree of branching, thereby providing insight into the structural stability of EDPCS. The above results suggest that the electronic, structural, and biological properties of EDPCS have good potential applications in the field of pharmaceuticals.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103133"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Xanthene–prolinamide-based organocatalyst for asymmetric aldol reactions in green media","authors":"Hajar Benrzeil ,&nbsp;Bouchra Tazi ,&nbsp;Juan Lopez de Leon ,&nbsp;Diego Alonso ,&nbsp;Farhate Guenoun ,&nbsp;Gabriela Guillena","doi":"10.1016/j.rechem.2026.103122","DOIUrl":"10.1016/j.rechem.2026.103122","url":null,"abstract":"<div><div>A novel organocatalyst, 14-(4-(pyrrolidine-2-carboxamido)phenyl)-14H-dibenzo[<em>a</em>,<em>j</em>]xanthene(<strong>4-DBX</strong>), was synthesized in four steps from commercially available starting materials and subsequently evaluated in asymmetric aldol reactions. Benzaldehyde derivatives and a variety of ketones were employed as aldol partners under environmentally friendly reaction conditions, including water, deep eutectic solvent, and high-speed ball milling. Under optimized reaction conditions, the catalyst (10 mol%) exhibited excellent performance in water, affording aldol products in quantitative yields (99% in 2.6 h), with enantiomeric excesses of up to 99% and diastereomeric ratios reaching 82:18. Overall, this method provides an efficient asymmetric aldol reaction of electron-deficient benzaldehydes in water.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103122"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multiscale study on describing the decay law of gas-liquid micro foam for sclerotherapy applications","authors":"Lin Liang ,&nbsp;Wentao Jiang ,&nbsp;Taoping Bai","doi":"10.1016/j.rechem.2026.103101","DOIUrl":"10.1016/j.rechem.2026.103101","url":null,"abstract":"<div><h3>Background</h3><div>The decay law of gas-liquid micro foam is of great significance for characterizing the stability of foam in biomedical applications such as foam sclerotherapy (FS). However, there are few descriptions of gas-liquid micro foam decay in existing studies.</div></div><div><h3>Methods</h3><div>The bubble gap group in the numerical simulation section is 0.50–3.00 μm, with a diameter of 22 μm. Use the following bubble diameter groups: D1 (22 μm), D2 (16 μm), and D3 (10 μm). In the experiment part, the self-made micro foam preparation device was used to obtain the macro decay law of micro foam under different liquid gas ratios and temperature differences. Through numerical simulation and experimental laws, the mesoscopic to macroscopic decay laws of micro foam are described.</div></div><div><h3>Results</h3><div>Foams of different diameters had different merging methods. When two foams were merged, the vortex on the foam surface was more apparent. For an uneven foam group, the merge time of group A and group C were both 0.3 ms, and group B was faster by 0.06 ms. In the experimental part, the macro decay of micro foam shows a strong exponential form.</div></div><div><h3>Conclusion</h3><div>Foam coalescence time increases exponentially with an increase in the bubble gap. An expression that can describe the decay law of gas-liquid micro foam was obtained, providing insight into foam stability for clinical FS applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"22 ","pages":"Article 103101"},"PeriodicalIF":4.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}