Journal of Chemical Sciences最新文献

{"title":"Structural and biological properties of isoproterenol, comparison with epinephrine and norepinephrine","authors":"Marija Milosavljević,&nbsp;Đura Nakarada,&nbsp;Marta Gostiljac,&nbsp;Jasmina Dimitrić Marković,&nbsp;Violeta Jevtović,&nbsp;Aleksandra Rakić,&nbsp;Dušan Dimić","doi":"10.1007/s12039-025-02381-y","DOIUrl":"10.1007/s12039-025-02381-y","url":null,"abstract":"<div><p>Isoproterenol (ISO) is a sympathomimetic amine, an analog of epinephrine (E) and norepinephrine (NE), characterized by the <i>N</i>-alkyl substitution. The crystallographic structure was optimized by several common functionals (B3LYP, CAM-B3LYP, B3PW91, M05-2X, M06-2X) in conjunction with the 6-311++G(d,p) basis set. The appropriate level of theory was determined by comparing the experimental and theoretical bond lengths and angles. Different isomers of ISO were examined, and their stability interactions were quantified by the Natural Bond Orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) approaches. The experimental spectra (infrared, Raman, NMR, and UV-Vis) were simulated and assigned after the optimization at the M05-2X/6-311++G(d,p) level of theory. The antiradical activity was determined towards two model (DPPH^• and ABTS^•+) and two biologically relevant (HO^• and Asc^•) radical species and compared to the activity of E and NE. The structural features governing activity and preferred mechanism were elucidated by the quantum chemical methods. The Sequential Proton Loss Electron Transfer (SPLET) mechanism was a dominant one both thermodynamically and kinetically. The protein binding affinity towards Bovine Serum Albumin (BSA) was investigated by spectrofluorimetric titration and molecular docking simulations. The most important interactions were outlined. The importance of <i>N</i>-alkyl substitution proved substantial for the interactions with amino acids, but it did not affect the antiradical activity.</p><h3>Graphical abstract</h3><p>Structure, spectra, intramolecular interactions, protein binding affinity and antioxidant capacity of isoproterenol, a sympathomimetic amine, were examined by a combination of experimental and theoretical methods and compared to those of epinephrine and norepinephrine. The importance of ending groups attached to amino nitrogen atoms and the radical scavenging mechanism were discussed.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of mechanical and self-healing properties of hydroxyl-terminated polybutadiene functionalized with 2-ureido-4-pyrimidinone","authors":"Mohsen Kazazi,&nbsp;Mehran Hayaty,&nbsp;Ali Mousaviazar","doi":"10.1007/s12039-025-02383-w","DOIUrl":"10.1007/s12039-025-02383-w","url":null,"abstract":"<div><p>Hydroxyl-terminated polybutadiene (HTPB) resin is the most widely used material for producing polyurethane elastomers due to its ability to maintain elastomeric properties at very low temperatures. Moreover, its high solid-loading capacity makes it an ideal binder for composite manufacturing. Replacing this resin with a self-healing HTPB resin, in addition to the aforementioned properties, can increase the service life of components and reduce potential damage to parts fabricated with this resin. In this study, thermal and mechanical properties of self-healing HTPB resin are compared with those of conventional HTPB resin. Low-temperature differential scanning calorimetry (DSC) analysis indicates that the elastomeric properties of the resin have not changed significantly, and glass transition temperature (<i>T</i>_g) increased only about 5°C. Additionally, both resins exhibit similar and predictable thermal behaviour in thermogravimetric analysis (TGA). Tensile testing reveals a 45% increase in tensile strength and a 75% increase in Young’s modulus, while elongation at break decreases by 64%. Viscosity changes show a three-fold increase compared to the original resin, and finally, the quantitative self-healing efficiency obtained through tapered double cantilever beam (TDCB) testing is ~96% after 24 h.</p><h3>Graphical abstract</h3><p>Self-healing hydroxyl-terminated polybutadiene (HTPB) resin, in addition to exhibiting excellent elastomeric properties and high solid loading, possesses the ability to repair cracks and scratches that may form within its structure. Intrinsic self-healing process commences immediately upon crack initiation, and over time, the resin gradually reverts to its original state, with up to 96% of the damage being repaired within 24 h.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ligand engineering for designing atomically precise metal nanoclusters and cluster-assemblies for potential applications","authors":"Eyyakkandy Nida Nahan,&nbsp;Ravari Kandy Aparna,&nbsp;Priyanka Chandrashekar,&nbsp;Noohul Alam,&nbsp;Glory James,&nbsp;Sukhendu Mandal","doi":"10.1007/s12039-025-02373-y","DOIUrl":"10.1007/s12039-025-02373-y","url":null,"abstract":"<div><p>Atom-precise metal nanoclusters have emerged as a class of materials with unique structural and electronic properties, driven by quantum size effects and precise atomic arrangements. This review delves into recent advancements in the field, focusing on key aspects, such as ligand exchange reactions, structural characterization and catalytic properties of copper nanoclusters (NCs), development of silver cluster-assembled materials with enhanced stability and properties, and stabilization of NCs in metal–organic frameworks (MOFs). Synthesis of specific clusters for desired applications can be attained through ligand exchange transformation reaction. Among the coinage metal ions, the research on copper NCs is less explored due to low redox potential. Still, there are some reports with unique structural architecture that exhibit catalytic properties. Stability and properties of clusters can be enhanced by linking the cluster to higher dimensional or embedded into the porous MOF structures.</p><h3>Graphical abstract</h3><p>This review discusses some of the recent advancements achieved in the field of nanoclusters and their assemblies, ranging from fundamental studies to structure-property correlation and applications.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aroylhydrazone-based transition metal complexes: Structural features, coordination diversity and catalytic applications","authors":"Nishana Lahinakillathu,&nbsp;Ayyamperumal Sakthivel,&nbsp;Maliyeckal R Prathapachandra Kurup","doi":"10.1007/s12039-025-02352-3","DOIUrl":"10.1007/s12039-025-02352-3","url":null,"abstract":"<div><p>Aroylhydrazones are compounds characterized by a double bond between carbon and nitrogen atoms. They are notable in coordination chemistry for their versatile coordination modes and a wide range of applications. These compounds are synthesized by condensing hydrazides with aromatic aldehydes or ketones, forming stable imine linkages. Their coordination diversity comes from their ability to act as multidentate ligands, coordinating through nitrogen, oxygen, and sometimes sulfur atoms, resulting in various metal complexes with different geometries and properties. Factors like pH, solvent, and the nature of the metal ions influence this diversity. Aroylhydrazones are crucial in medicinal chemistry, material science, and catalysis, serving as antimicrobial agents, anti-inflammatory drugs, and sensors, and in developing organic-inorganic hybrid materials. In catalysis, they stabilize transition states and facilitate organic transformations, proving valuable in both industrial and synthetic organic chemistry. Aroylhydrazone-based complexes have shown efficiency in reactions such as oxidation, epoxidation, alkylation, and nitro-aldol condensation. Their structural versatility and catalytic efficiency make them valuable for developing new catalytic systems and materials. This review article provides an overview of the coordination diversity and significant catalytic applications of metal complexes derived from aroylhydrazone compounds.</p><h3>Graphical abstract</h3><p>Aroylhydrazones exhibit significant importance due to their versatile coordination diversity, enabling the formation of various metal complexes. These complexes demonstrate notable catalytic applications in organic transformations, highlighting their potential in industrial and pharmaceutical process. The multifaceted nature of aroylhydrazones underscores their value in advancing catalysis and coordination chemistry.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of dopamine-loaded microbeads for antioxidant activity and controlled drug release","authors":"Kumar Janakiraman,&nbsp;Vaidevi Sethuraman,&nbsp;Abilesh Ramesh,&nbsp;Divya Kennedy","doi":"10.1007/s12039-025-02375-w","DOIUrl":"10.1007/s12039-025-02375-w","url":null,"abstract":"<p>Present study involved the creation of microbeads loaded with dopamine, which were utilized as carriers for antioxidants, exhibiting regulated drug release characteristics. Synthesis of microbeads was achieved using a straightforward, yet efficient technique that entailed the crosslinking of dopamine and integration of antioxidants into the polymer matrix. To attain the desired swelling index and drug-loading efficiency, the formulation parameters were optimized. Encapsulation efficiency of the developed DP-bead was found to be 94 ± 1.2% and the swelling index was (155 ± 1.4%) (trial 2). Regulated release of dopamine from the microbeads were found to be 94 ± 0.3% and 47 ± 1.7% from <i>in vitro</i> drug release tests conducted under physiological (pH 7.4) and acidic conditions (pH 1.2), respectively. Antioxidant activity of the developed DP-bead was found to be 78.21%, which indicates the free radical elimination done by dopamine. Thereby, the developed DP-bead could be a promising antioxidative and controlled release application.</p><p>The fabrication of microbeads was achieved using emulsion encapsulation techniques. Through the process of crosslinking dopamine with a calcium chloride and sodium alginate as polymeric matrix was optimised. The synthesized microbeads loaded with dopamine was employed for delivering antioxidants, these nanobeads tested to demonstrated controlled drug release properties.\u0000</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145145613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An inexpensive protein source for the encapsulation of small molecules","authors":"Susmit Narayan Chaudhury,&nbsp;Sultana Parveen,&nbsp;Swagata Dasgupta","doi":"10.1007/s12039-025-02372-z","DOIUrl":"10.1007/s12039-025-02372-z","url":null,"abstract":"<div><p>In recent years, nanoparticles have found widespread use in several fields ranging from pharmaceuticals, mechanical devices and electronics. Their uses for therapeutic purposes originate from their uniform size that can be fabricated or engineered to be tuned to a specific requirement. Biomaterials like proteins/peptides are an excellent medium to design structural materials to act as carrier systems for small molecules. Nanoparticles possess the ability to encapsulate various types of small molecules, including therapeutic and imaging agents for disease treatment and diagnosis. However, due to the presence of nonspecific intermolecular interactions, the release of the associated small molecules from nanoparticles poses a challenge. In this article, we demonstrate the preparation of protein nanoparticles from an inexpensive source, rich in proteinaceous material. The nanoparticles thus prepared are capable of encapsulation of multifunctional small molecules and regulation of sustained release under specific stimuli is possible.</p><h3>Graphical abstract</h3><p><b>Synopsis</b> Our study presents a cost-effective source for preparing protein nanoparticles from discarded cataractous eye lens proteins. These nanoparticles efficiently encapsulate curcumin and enable its sustained release under physiological stimuli. The biocompatible system shows potential as a novel vehicle for delivering hydrophobic drugs, with implications for targeted therapeutic applications. </p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145145518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and cytotoxic studies of novel azo-Schiff base derivatives against Hela and MCF7 cell lines","authors":"Ozge Kozgus Guldu,&nbsp;Seda Yuksekdanaci","doi":"10.1007/s12039-025-02364-z","DOIUrl":"10.1007/s12039-025-02364-z","url":null,"abstract":"<div><p>A new azo-Schiff base derivative compounds have been synthesized and characterized by FTIR, ¹HNMR, ¹³CNMR and elemental analysis techniques. The azo-Schiff base compounds were evaluated for their cytotoxicity against human epithelial breast adenocarcinoma (MCF7) and human epithelial cervix adenocarcinoma (HeLa) cell lines using the MTT assay. Compound <b>4a</b> exhibited potent <i>in vitro</i> antiproliferative activity with IC₅₀ 120.0 and 140.8 <i>μ</i>M against HeLa and MCF7 cell lines, respectively. As a result of the cell migration study, compound <b>4a</b> achieved 38%, recovery in HeLa cells at 48 hours and 59% in MCF7 cells at 48 hours. Compound <b>4b</b> achieved 12% recovery in HeLa cells at 48 hours and 49% in MCF7 cells at 48 hours. Apoptosis analysis studies show that the synthesized compounds (<b>4a</b>-<b>b</b>) can induce apoptosis in the HeLa and MCF7 cells.</p><h3>Graphical Abstract</h3><p>The IC₅₀ dose of compound <b>4a</b> was found to be 120.0 <i>µ</i>L in the HeLa cell line and 140.8 <i>µ</i>L in the MCF7 cell line. Furthermore, it has also been observed that compounds <b>4a</b> and <b>4b</b> can increase the apoptotic effect in both cell lines significantly compared with control group.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144125865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic strategies to pyrido fused heterocycles","authors":"Tamanna Khandelia,&nbsp;Bhisma K Patel","doi":"10.1007/s12039-025-02369-8","DOIUrl":"10.1007/s12039-025-02369-8","url":null,"abstract":"<div><p>Pyridine fused heterocycles are vital in material sciences, medicinal chemistry, and organic synthesis due to their distinct structural feature. These compounds, consisting of two or more heterocyclic rings, share one or more hetero atoms. They exhibit enhanced stability, varied electronic properties, and improved biological activity compared to their non-fused counterparts. The fusion of heterocyclic rings often leads to a rigid, planar structure that can interact more efficiently with biological targets, making them valued in advancing pharmaceuticals, particularly for intricate diseases. Additionally, fused heterocycles are important in designing functional materials, such as organic semiconductors and catalysts, due to their ability to impart desired electronic and optical properties. Their broad pertinence and the ability to fine-tune their characteristics through synthetic modifications continue to drive advancements in basic and applied chemistry. The fused heterocycles discussed in this review are furo-pyridine, pyrrolo-pyridine, and other assorted fused heterocycles. Their biological importance and synthetic procedures have been discussed.</p><h3>Graphical abstract</h3><p>The fused heterocycles discussed are furo-pyridine, pyrrolo-pyridine, and other assorted fused heterocycles. The biological importance and synthetic procedures of these fused heterocycles have been discussed. Pyridine fused heterocycles are vital in material sciences, medicinal chemistry, and organic synthesis due to their distinct structural feature.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144073633","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ceria-coated cordierite monolith: A recyclable catalyst for palladium and ligand-free Suzuki–Miyaura coupling in water","authors":"Prasanna","doi":"10.1007/s12039-025-02366-x","DOIUrl":"10.1007/s12039-025-02366-x","url":null,"abstract":"<div><p>Phase-pure CeO₂ was synthesized by the solution combustion method, which crystallized in its cubic fluorite structure. The synthesized catalyst was characterized by SEM, EDX analysis, powder XRD, H₂-TPR and FTIR to confirm its structure. This precious metal-free catalyst shows excellent activity towards the ligand-free Suzuki–Miyaura coupling reaction in aqueous media. Various biaryls, such as symmetrical, asymmetrical and heterocyclic moieties were obtained from corresponding aryl halides and arylboronic acid with good yields. The ceria can be coated on cordierite monolith, which acts as a catalyst cartridge, employed with ease in recycling experiments. An attempt for scale-up reaction is also carried out with a good yield.</p><h3>Graphical abstract</h3><p>The phase pure CeO₂ was synthesized by the solution combustion method which crystallized in its cubic fluorite structure. This precious metal-free catalyst shows excellent activity towards the ligand-free Suzuki-Miyaura coupling reaction in aqueous media. Recycling and scale-up reactions are carried out by employing catalyst coated cordierite monolith with ease.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143919054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor","authors":"Vishnu A Gite,&nbsp;Virendra K Rathod","doi":"10.1007/s12039-025-02355-0","DOIUrl":"10.1007/s12039-025-02355-0","url":null,"abstract":"<div><p>The orange flavour, <i>n</i>-octyl acetate, was synthesized in the presence of ultrasound (US) over an H₅PW₁₀V₂O₄₀ /FAC catalyst. The effect of parameters such as temperature (A), alcohol to acid ratio (B), duty cycle (C) and ultrasound power (D) on the conversion was optimised using response surface methodology. Various experiments were designed as per the central composite design method using the design of expert software. The relation between operating variables and conversion was established by a quadratic mathematical model equation. The relation of independent variables and their effect on conversion was explained by executing the statistical analysis and analysis of variance. The optimum solution of the maximum conversion of 78.2% in 180 minutes was obtained in the presence of US horn at parameters viz temperature (373 K), mole ratio (<i>n</i>-octyl alcohol to acetic acid) (2), duty cycle (80%) and ultrasound power (100 W). The intensification by US horn was compared to conventional processes.</p><h3>Graphical abstract</h3><p>The <i>n</i>-octyl acetate was synthesized over an H₅PW₁₀V₂O₄₀/FAC catalyst in the presence of ultrasound irradiation. It has many applications in cosmetics, hair products, and skin locations. The synthesis of <i>n</i>-octyl acetate in the ultrasound process was compared with the conventional synthesis. There was a considerable reduction in reaction time in ultrasound-assisted synthesis.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}