Results in Chemistry最新文献

{"title":"Native electrospray ionization mass spectrometry reveals the interaction variances between different bisphenol analogues and myoglobin","authors":"Jieyao Ma ,&nbsp;Tingsheng Ma ,&nbsp;Yalan Wu ,&nbsp;Huiling Liu ,&nbsp;Xian Wang ,&nbsp;Huaming Xiao","doi":"10.1016/j.rechem.2025.102767","DOIUrl":"10.1016/j.rechem.2025.102767","url":null,"abstract":"<div><div>Bisphenol analogues (BPs) are crucial industrial materials extensively utilized in the production of consumer goods. However, it is still unknown whether they will affect the structure of myoglobin (Mb) and cause adverse impacts. This study systematically investigates the interactions between eleven BPs and their structural analogs with Mb using native electrospray ionization mass spectrometry (native ESI-MS), and further verified their interaction by fluorescence spectroscopy (FLS), circular dichroism (CD), and molecular docking (MD). Specifically, native ESI-MS analysis revealed that four ligands form stable complexes with Mb, and their binding constants were quantitatively determined. Thermodynamic data derived from FLS and CD analyses indicated that ligand binding induces conformational changes in Mb by reducing its α-helix content. MD simulations further elucidated that the binding sites for these ligands are located near the heme pocket of Mb, involving key interactions including hydrogen bonding and hydrophobic forces. Structure-activity relationship analysis suggested that sulfonyl and hydroxyl groups play critical roles in the ligand-Mb binding, where hydrophobic atoms enhance binding affinity by increasing molecular hydrophobicity, and ortho-substituted hydroxyl groups significantly influence binding strength. The integration approaches provide valuable information for the design and toxicity assessment of those bisphenol analogues in environmental implications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102767"},"PeriodicalIF":4.2,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262820","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":"Role of biocompatible PMMA-PEG@Ag nanocomposite in the specific delivery of doxorubicin and resveratrol","authors":"S. Kamal Santh ,&nbsp;Tharini Jeyapragasam ,&nbsp;Isreal Mani ,&nbsp;Deepiga Ramachandran ,&nbsp;Mohan Pandi ,&nbsp;Jamespandi Annaraj","doi":"10.1016/j.rechem.2025.102761","DOIUrl":"10.1016/j.rechem.2025.102761","url":null,"abstract":"<div><div>Doxorubicin (DOX) is the most widely employed chemotherapeutic drug, despite it is frequently associated with severe adverse effects. Resveratrol (RES) is a polyphenolic stilbene derivative found in red wine and grapes, and it is well known for its antioxidant properties. Numerous reports have been proved its excellent potential in anti-inflammatory, anti-aging, and cancer-treatment. Among various cancer deaths, an appealing solution to this might be the targeted distribution of DOX, combined with such natural biomaterials via nanoscale level drug carriers. Earlier, we have reported PEG-PMMA copolymer based nano-carriers that could delivered curcumin only to tumours in a pH-dependent manner and yield an enhanced therapeutic impact. In this connection, here we have proposed a PMMA-PEG@Ag nanocomposite to deliver these natural and commercial drugs (RES and DOX) towards the harmful human tumours. Powder X-ray diffraction (XRD) and scanning electron microscopy (SEM) in conjunction with various spectral techniques were used to investigate its morphology, size (nano-cube like structure around ∼2 nm) and other physical properties. Their potential toxicity towards HEK293, A549, and HeLa cancer cell lines was investigated via 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay and also the half maximal inhibitory concentration (IC₅₀) values were determined from the MTT assay. The observed in-vitro results revealed that they are effective nanocarriers for biological medications. Furthermore, this PMMA-PEG@Ag nanocomposite loaded with two medicines (RES and DOX) has displayed amazing pharmacokinetic and pharmacodynamic behaviour. Due to their multifunctional properties, this finding may be able to overcome the drawbacks of traditional cancer therapy and open up new therapeutic prospects.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102761"},"PeriodicalIF":4.2,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262821","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":"The elucidation of major groove binding of Dinitro-ortho-cresol herbicide to DNA: a multi-approach of voltammetric, spectroscopic, and computational modeling methods","authors":"Ali Akbar Alizadeh ,&nbsp;Ali Golkar ,&nbsp;Asieh Hosseini ,&nbsp;Mohammad Ali Daneshmehr ,&nbsp;Farhad Ahmadi","doi":"10.1016/j.rechem.2025.102764","DOIUrl":"10.1016/j.rechem.2025.102764","url":null,"abstract":"<div><div>This study examined the binding of Dinitro-<em>ortho</em>-cresol (DNOC) herbicide with Calf thymus deoxyribonucleic acid (Ct-DNA) using spectroscopic, voltammetric, docking, and molecular dynamics methods. Cyclic voltammetry results showed two irreversible cathodic peaks (peaks I and II) at the potentials of −0.48 and −0.76 V, which are related to the reduction of -NO₂ groups of DNOC to -NHOH groups. The cyclic voltammetry results measured the binding constant and binding site size of DNOC to DNA at 3.58 × 10³ and 0.85, respectively. Also, the diffusion constants for DNOC (<em>D</em>_<em>f</em>) and DNOC-DNA complex (<em>D</em>_<em>b</em>) were 3.4 × 10⁻³ and 6.5 × 10⁻⁵, respectively. A great decrease in the intensity of vibrations related to guanine and cytosine functional groups was observed compared to adenine and thymine. These changes show that DNOC has a greater tendency to interact with guanine and cytosine rather than adenine and thymine. All voltammetric and fluorescence spectroscopy data shows that the interaction between the DNOC and DNA is more thorough in the major groove. These experimental data are in agreement with theoretical data.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102764"},"PeriodicalIF":4.2,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262819","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":"In silico study of the solubility of fullerene derivatives in chlorobenzene","authors":"Melek Türker Saçan ,&nbsp;Gulcin Tugcu ,&nbsp;Natalja Fjodorova ,&nbsp;Katja Venko ,&nbsp;Durbek Usmanov ,&nbsp;Bakhtiyor Rasulev ,&nbsp;Safiye Sağ Erdem ,&nbsp;Marjana Novič","doi":"10.1016/j.rechem.2025.102754","DOIUrl":"10.1016/j.rechem.2025.102754","url":null,"abstract":"<div><div>Since the seminal discovery of fullerene in 1985, fullerene C60 and its derivatives have emerged as versatile nanostructured materials with applications spanning optics, electronics, cosmetics, and biomedicine. The synthesis of various fullerene derivatives (FDs) involves the addition of functional groups to C60. Primary production costs are intricately tied to the extraction and purification of C60, given its limited solubility in both polar and many organic solvents. A critical physicochemical characteristic defining FDs' industrial utility is their solubility, a factor integral to substance distribution in the environment.</div><div>The application of fullerenes, particularly in renewable energy, has driven extensive Quantitative Structure-Property Relationship (QSPR) research into their performance-related properties. This study assesses FD solubility in chlorobenzene. Solubility in organic solvents is essential, as it is linked to bioaccumulation. We have generated linear and nonlinear machine learning-based QSPR models, validated for their robustness and accuracy. These models are based on experimental solubility data obtained for a set of FDs in chlorobenzene. Subsequently, these models were deployed to predict the solubility of a novel set comprising 117 FDs. The examined dataset encompasses diverse groups attached to the C60- and C70-core structures, with side chains strategically linked to the cyclopropane group.</div><div>The insights drawn from this study bear significance in understanding how FDs with varying solubility levels can be assessed for distinct applications. By exclusively relying on developed “in silico” models and circumventing extensive testing, these QSPR models offer early evaluative tools, shedding light on FDs with optimal solubility for specific application domains. The outcomes of this research hold promise for advancing our comprehension of fullerene derivatives and streamlining their application in diverse industrial sectors.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102754"},"PeriodicalIF":4.2,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262822","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":"The photocatalytic degradation of organic pollutants-a comprehensive overview","authors":"Tigabu Bekele ,&nbsp;Getachew Alamnie","doi":"10.1016/j.rechem.2025.102758","DOIUrl":"10.1016/j.rechem.2025.102758","url":null,"abstract":"<div><div>Photocatalytic degradation is a promising and eco-friendly technology that effectively removes organic pollutants from both air and water. This process relies on light-activated semiconductor catalysts such as TiO₂, ZnO, CeO₂, g-C₃N₄, and various heterojunction composites. These materials generate highly reactive species, including hydroxyl radicals and superoxide anions, which are capable of breaking down persistent contaminants into harmless byproducts like carbon dioxide (CO₂) and water (H₂O). The efficiency of photocatalytic reactions is influenced by several factors, including the catalyst's composition, morphology, crystallinity, bandgap energy, surface area, light intensity, and wavelength. Operational conditions such as pH, contaminant concentration, and the presence of scavengers also play a significant role in determining the effectiveness of the process. Recent advancements in photocatalysis have focused on addressing challenges associated with conventional catalysts, such as limited response to visible light and fast recombination of charge carriers. Techniques such as surface modification, doping, the development of Z-scheme and S-scheme heterojunctions, and integration with carbon-based materials have been explored to enhance performance. This review provides an overview of the fundamental principles of photocatalysis, recent innovations in catalyst design, and the mechanisms involved in pollutant degradation. To translate this technology into practical, scalable solutions for reducing organic waste in the modern era, further interdisciplinary research and the development of cost-effective, visible-light-responsive, and durable photocatalysts are essential.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102758"},"PeriodicalIF":4.2,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217056","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":"Fabrication of polyvinyl alcohol/gelatin/laminin scaffold for neural tissue engineering","authors":"Khadijeh Zeinali ,&nbsp;Mohammad Taghi Khorasani ,&nbsp;Maryam Ataie","doi":"10.1016/j.rechem.2025.102756","DOIUrl":"10.1016/j.rechem.2025.102756","url":null,"abstract":"<div><div>Neural tissue injuries pose significant therapeutic challenges due to the intricate structure of nerve tissue and the limited regenerative capability of the central nervous system. To overcome these obstacles, we have developed an innovative three-dimensional scaffold composed of Polyvinyl alcohol (PVA), gelatin, and laminin to enhance neural tissue regeneration. The PVA/Gelatin scaffold was physically crosslinked via a freeze-thaw process and subsequently fabricated through freeze-drying to create a porous structure. Laminin protein was then immobilized onto the scaffold surface to improve its bioactivity. Comprehensive characterization using scanning electron microscopy revealed a highly porous scaffold with interconnected pores conducive to cell infiltration. In vitro fibroblast culture assays demonstrated enhanced cell attachment and viability, with accelerated neural differentiation observed on laminin-modified scaffolds. These results confirm that the fabricated scaffold possesses desirable physicochemical and biological properties, making it a promising candidate for neural tissue engineering applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102756"},"PeriodicalIF":4.2,"publicationDate":"2025-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217055","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":"Improving the sensitivity and detection speed of methane gas at room temperature using a nanosensor based on lead sulfide (PbS) colloidal quantum dots","authors":"Milad Farahmandpour ,&nbsp;Fardin Sadeghfar ,&nbsp;Arash Asfaram ,&nbsp;Mehrorang Ghaedi ,&nbsp;Hamedreza Javadian","doi":"10.1016/j.rechem.2025.102760","DOIUrl":"10.1016/j.rechem.2025.102760","url":null,"abstract":"<div><div>In this study, lead sulfide colloidal quantum dots (PbS CQDs) were used to fabricate a methane-sensitive nanosensor. First, a silver microelectrode was patterned on a glass substrate via lithography. The PbS CQDs were then synthesized through a chemical method and deposited onto the doped microelectrodes, forming the methane-detection sensor. The morphology and crystal structure of the PbS CQDs were characterized using field-emission scanning electron microscopy (FE-SEM), Energy-dispersive X-ray analysis (EDX) and X-ray diffraction (XRD). Sensor performance in methane gas was evaluated at room temperature, and the underlying mechanism for enhanced sensing, along with the influence of temperature, was analyzed. The synthesized nanoparticles had an average particle size of approximately 15 nm. The prototype demonstrated a linear detection range for methane from 5000 to 70,000 ppm, with response and recovery times of 15 s and 300 s, respectively, and a maximum sensitivity of 53.53 % at 70,000 ppm.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102760"},"PeriodicalIF":4.2,"publicationDate":"2025-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217054","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":"Biochemical and anticancer properties of Stellaria media extract in breast Cancer","authors":"Niloofar Eftekhari ,&nbsp;Maryam Moudi ,&nbsp;Homa Mollaei ,&nbsp;Pouya Ghamari Kargar","doi":"10.1016/j.rechem.2025.102741","DOIUrl":"10.1016/j.rechem.2025.102741","url":null,"abstract":"<div><div>In today's industrialized world, cancer is a leading cause of death worldwide. Among cancers, breast cancer is particularly prevalent in women and leads to high mortality rates globally. One of the contributors to cancer development is the presence of free radicals, which disrupt the body's normal processes. Natural antioxidants, commonly found in plants, play a crucial role in neutralizing these free radicals. This study focuses on <em>Stellaria media (L.) Vill</em>., known as chickweed, from the Caryophyllaceae family, which has a long history of medicinal use. This research aims to evaluate the plant's secondary metabolites and its anticancer potential. Research showed that among the aqueous, methanolic, ethanolic, water/ethanol, and water/methanol extracts of <em>S. media</em> (chickweed), the methanolic extract contained the highest levels of secondary metabolites and exhibited strong antioxidant properties. Additionally, it demonstrated inhibitory effects on breast cancer cells. The cytotoxic effects of <em>S. media</em> extract were tested on MCF-7 breast cancer cells and HDF normal cells using the MTT assay over 24, 48, and 72 h. The concentration induced 50 % of cell death (IC₅₀ for MCF-7 cells, about 250 μg/mL was obtained. In other words, after 24, 48, and 72 h at a concentration of about 250 μg/mL, the extract was able to increase cell proliferation by about 50 % (IC₅₀). Results demonstrated a significant reduction in MCF-7 cell viability with increasing extract concentrations, while normal cells were less affected.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102741"},"PeriodicalIF":4.2,"publicationDate":"2025-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217098","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":"Photodegradation of cephalexin and amoxicillin through green-synthesized MgO@folic acid nanoparticles","authors":"Khadijeh Hamidian ,&nbsp;Hosien Shahdadi ,&nbsp;Mina Sarani ,&nbsp;Mojtaba Samareh Delarami ,&nbsp;Mohsen Hamidian","doi":"10.1016/j.rechem.2025.102757","DOIUrl":"10.1016/j.rechem.2025.102757","url":null,"abstract":"<div><div>One of the most important aspects of nanotechnology is development of environmentally and non-toxic methods in the production of nanoparticles (NPs). In current study, magnesium oxide nanoparticles (MgO NPs) and MgO NPs combined with folic acid (MgO@F NPs) prepared using <em>Ferula assa-foetida</em> extract. The techniques utilized were Powder X-ray Diffraction (PXRD), Ultraviolet-visible (UV–vis), Dynamic Light Scattering (DLS), Field Emission Scanning Electron Microscope (FESEM), Energy Dispersive X-Ray (EDX), Fourier-Transform Infrared (FT-IR) and zeta potential, which were applied to identify the physicochemical characteristics of MgO and MgO@F NPs. PXRD confirmed the cubic crystal structure of NPs. The EDS finding indicated the presence of main elements of synthesized NPs and their purity. FESEM images showed a spherical and uniform morphology for MgO NPs, which it was changed by adding folic acid to it. The band gaps of 3.5 eV and 2.3 eV were determined using Tauc plots derived from UV–vis absorption data for MgO and MgO@F NPs, respectively. MgO NPs indicated a negative zeta potential, with an average value of −19.8 mV, while zeta potential of MgO@F obtained −8.9 mV. The MgO and MgO@F NPs exhibited degradation efficiencies of 71.92 %, and 80.3 % for CPX and 74.09 % and 84.06 % for AMX, respectively, within 150 min under visible light that follows a first-order reaction model. The separation of charge, the production of reactive oxygen species (ROS), synergistic effects of adsorption and photocatalysis have significantly improved photocatalytic activity. Consequently, the innovative MgO@F NPs exhibits substantial potential for the remediation of wastewater contaminated with pharmaceuticals.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102757"},"PeriodicalIF":4.2,"publicationDate":"2025-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217103","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":"Synthesis of tunable aryl alkyl ionic liquid-stabilized NiO nanoparticles supported reduced graphene oxide as highly efficient hole transport layer in perovskite solar cell","authors":"Khalid Althumayri ,&nbsp;Ahmed M. Eldesoky ,&nbsp;Norah F. Alqahtani ,&nbsp;Lamia A. Ismail ,&nbsp;Reda F.M. Elshaarawy ,&nbsp;Rozan Zakaria","doi":"10.1016/j.rechem.2025.102759","DOIUrl":"10.1016/j.rechem.2025.102759","url":null,"abstract":"<div><div>This research presents a new method for synthesizing nickel oxide (NiO) nanoparticles, which are stabilized using tunable aryl alkyl ionic liquids (TAAILs) and anchored onto reduced graphene oxide (RGO). The result is a nanocomposite hole transport layer (HTL) designed for perovskite solar cells (PSCs). A major advancement of this approach is its solution to the persistent issue of impurity ion contamination typically seen in conventional NiO synthesis. By introducing the imidazolium-based ionic liquid during the formation of the nanoparticles, the process effectively blocks the adsorption of nitrate ions. This leads to formation of highly pure and crystalline NiO NPs with consistent size and uniform dispersion. The RGO-NiO-IL nanocomposite seems to make the hole-transport layer rougher and more porous, which may help move charge faster and cut down recombination. In a perovskite cell it gave about 11.2 % efficiency, about twice what a plain RGO layer did. The open-circuit voltage was around 0.97 V (±0.02) and the short-circuit current about 16.2 mA/cm² (±0.18). Its fill factor sat near 0.71 (±0.59). After four months in normal air device kept 75 % of original power. The study suggests using an ionic liquid to grow nanoparticles together with RGO can fix many problems of pure NiO HTLs, pointing to a cheaper, more stable route for large-scale solar production.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102759"},"PeriodicalIF":4.2,"publicationDate":"2025-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217059","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}