Results in Chemistry最新文献

{"title":"Synthesis, structure and substitution mechanism of manganese Mn doped barium hexaferrite BaFe12-xMnxO19","authors":"S.A. Gudkova ,&nbsp;V.E. Zhivulin ,&nbsp;G.M. Zirnik ,&nbsp;L.A. Pesin ,&nbsp;R.G. Chumakov ,&nbsp;A.S. Chernukha ,&nbsp;I.A. Solizoda ,&nbsp;K.P. Gafarova ,&nbsp;D.A. Vinnik","doi":"10.1016/j.rechem.2025.102458","DOIUrl":"10.1016/j.rechem.2025.102458","url":null,"abstract":"<div><div>Polycrystalline BaFe_{<em>12-x</em>}Mn_<em>x</em>O₁₉ samples (x = 0–2, step 0.5) were synthesized by the ceramic technique. The dopant content in the ceramics was controlled by its charge content. The results of energy dispersive X-ray analysis, X-ray diffraction, X-ray photoelectron spectroscopy (XPS) were discussed. The elemental analysis results confirm that the obtained composition of ceramics is close to that specified in the initial charge. X-ray diffraction analysis based on La Bail refinement demonstrated that all BaFe_{<em>12-x</em>}Mn_<em>x</em>O₁₉ samples are single phase ones with the <em>P63/mmc</em> magnetoplumbite structure. The effect of manganese substitution on the barium hexaferrite based solid state solutions crystal structure was studied. Fine structure different iron and manganese ions oxidation states were observed as the result of XPS investigation. For the highest substitution level sample brutto formula was specified as BaFe²⁺_3.3Fe³⁺_6.6Mn²⁺_0.5Mn³⁺_1.4Mn⁴⁺_0.2O₁₉. The two substitution mechanisms for case of divalent ions substitution in barium hexaferrite were formulated. The first one is when the divalent ion of iron or manganese takes the barium position, and the second one is when the dopant takes the Fe³⁺ position of the initial crystalline matrix and creates a broken bond with oxygen.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102458"},"PeriodicalIF":2.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144481632","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":"Eco-friendly synthesis of ZnO nanoparticles using pomegranate leaves and its antimicrobial, antioxidant, anticancer, angiogenic activity, and toxicity assessment","authors":"Pradnya Sunil Bapte ,&nbsp;Shreyas Pansambal ,&nbsp;Pranav P. Bardapurkar ,&nbsp;Suresh Ghotekar ,&nbsp;Seema Sachin Borgave","doi":"10.1016/j.rechem.2025.102460","DOIUrl":"10.1016/j.rechem.2025.102460","url":null,"abstract":"<div><div>Green-synthesized nanoparticles are cost-effective, environment-friendly, and less hazardous, with potentially diverse biological applications. Nanoparticles of zinc oxide (ZnO) were generated with an aqueous extract of dried pomegranate leaves and characterized using X-ray diffractometry, Infrared and UV–visible spectroscopy, and field emission scanning electron microscopy (FESEM) tools. The synthesized ZnO nanoparticles (NPs) demonstrated comparable and enhanced antioxidant potential to the leaf extract or zinc nitrate. These ZnO nanoparticles showed antimicrobial efficacy, noticeably against <em>C. albicans</em>, <em>E. faecalis</em>, and <em>P. aeruginosa</em>. Though the MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assays indicated more significant toxicity to normal cells (HaCaT) than malignant cells (MCF-7), the recorded anticancer efficacy of our nanoparticles was more pronounced than that of other reported nanoparticles. The chorioallantoic membrane assay, deployed to assess the angiogenic potential of the nanoparticles, unveiled dose-dependent promotion or inhibition of vascular sprouting activity. The toxicological effects of the synthesized nanoparticles on the early embryos were examined utilizing Zebrafish as a model organism. The death rate of early treated embryos was found to be directly proportional to the nanoparticle doses. At low doses, the ZnO nanoparticles did not hamper the development of embryos. In contrast, the embryos that survived higher ZnO concentrations exhibited developmental defects, primarily in hatching rate, eye pigmentation, and tail deformities, which were monitored until 72 h post-fertilization. The ZnO nanoparticles synthesized in the present study exhibited remarkable antioxidant, anticancer, and anti-angiogenic potentials, which warrant further thorough investigations into their potential applications in medicine.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102460"},"PeriodicalIF":2.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366338","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":"Delivery of crocetin by grafting onto the surface of poly-aminopropylmethyl-silsesquioxane: Biocompatibility and wound healing ability assessment","authors":"Ali Abbasi ,&nbsp;Mahdi Mirzaee ,&nbsp;Majid Salehi ,&nbsp;Moslem Jafari Sani ,&nbsp;Masoomeh Faghani","doi":"10.1016/j.rechem.2025.102459","DOIUrl":"10.1016/j.rechem.2025.102459","url":null,"abstract":"<div><div>poly-aminopropylmethyl-silsesquioxane (PAMSQ) has been prepared and it was used to graft crocetin. PAMSQ was characterized by UV–Vis, FT-IR, and SEM-EDS analyses, which confirmed the successful grafting of crocetin onto the surface of PAMSQ. Blood compatibility and MTT assay on the 3 T3 cell line confirmed the biocompatibility of this product. Therefore, the effect of the prepared sample was investigated on healing the 1.50 × 1.50 cm² induced wound in rats. The results of H&amp;E and MT staining established acceptable effect of this sample on lowering the healing period by increasing the rate of collagen production.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102459"},"PeriodicalIF":2.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338326","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 sulfenylation of imidazopyridines with sulfinic acids mediated by DTBP/HCl","authors":"Yu Wang ,&nbsp;Hongkun Huang ,&nbsp;Xueyu Fang ,&nbsp;Chun Ling ,&nbsp;Tian Chen ,&nbsp;Hua Yao ,&nbsp;Zhaohua Yan","doi":"10.1016/j.rechem.2025.102428","DOIUrl":"10.1016/j.rechem.2025.102428","url":null,"abstract":"<div><div>A direct sulfenylation reaction of imidazopyridines with sulfinic acid mediated by di-<em>tert</em>-butylperoxide (DTBP) and hydrochloric acid was developed leading to the introduction of C<img>S bonds into the imidazo[1,2-<em>a</em>]pyridine skeleton. The reaction proceeded under transition-metal-free conditions with good functional group tolerance and moderate to excellent yields.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102428"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297421","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":"Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries","authors":"Ju Ho Lee ,&nbsp;Sung Bum Park ,&nbsp;Byumseok Koh ,&nbsp;Jiwoo Kim ,&nbsp;Kyoung Jin Choi ,&nbsp;Jeonghui Im ,&nbsp;Byungho Lim ,&nbsp;Daesoo Kim ,&nbsp;Byungwook Lee ,&nbsp;Sunjong Yu ,&nbsp;Nam-Chul Cho ,&nbsp;Doyoun Kim ,&nbsp;Yuno Lee ,&nbsp;Hyun Jin Kim ,&nbsp;Ki Young Kim ,&nbsp;Jung-Nyoung Heo","doi":"10.1016/j.rechem.2025.102455","DOIUrl":"10.1016/j.rechem.2025.102455","url":null,"abstract":"<div><div>This study utilized DNA-encoded library (DEL) screening to identify novel inhibitors of carbonic anhydrase 9 (CA9), a key cancer target. Among the identified compounds, CA9–005 exhibited inhibitory activity and reduced cancer cell viability. Biolayer interferometry confirmed CA9–005's direct interaction with CA9, supported by structural modeling. These findings highlight the potential of DEL screening for drug discovery and establish CA9–005 as a anticancer candidate, warranting further structural and therapeutic optimization.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102455"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366336","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 Cu/Ni-based metal organic frameworks from waste PET bottles for wastewater treatment","authors":"Cyril O. Ehi-Eromosele ,&nbsp;Samuel O. Ajayi ,&nbsp;Chijindu N. Nwaturuocha ,&nbsp;Joshua O. Talabi","doi":"10.1016/j.rechem.2025.102454","DOIUrl":"10.1016/j.rechem.2025.102454","url":null,"abstract":"<div><div>In this study, waste polyethylene terephthalate (PET) was depolymerized into terephthalic acid (TPA) using uncatalyzed neutral hydrolysis. The TPA served as a linker source for preparing Cu/Ni-based metal-organic frameworks (MOFs) for the treatment of dye-polluted wastewater. The synthesized MOFs were characterized with TGA, XRD, FT-IR, BET, and SEM. Batch experiments were conducted on the optimal removal of methyl orange (MO) dye pollutants by the prepared Cu/Ni-based MOFs by varying the dye's initial concentration, contact time, and adsorbent dosage. Langmuir, Freundlich, and Tempkin adsorption isothermal models and adsorption kinetics models were evaluated. The maximum adsorption capacity (Q_m) of Cu-MOF and Ni-MOF are 925.38 mg/g and 925.93 mg/g, respectively. The Langmuir model best described the MO adsorption on Ni-MOF while the Freundlich and Temkin model isotherm best described the MO adsorption on Cu-MOF. Both adsorbents had excellent fits to the pseudo-second-order kinetics model, with calculated equilibrium adsorption capacity (qe) values of 18.518 mg/g for Ni-MOF adsorption and 3.589 mg/g for Cu-MOF adsorption. The study not only presents a green method to synthesize MOFs but it is also provided a sustainable waste PET and wastewater management technique.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102454"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366330","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":"Comparative extraction strategies for Adhatoda vasica: Unveiling bioactive profile via GC–MS and their scavenging potential","authors":"Abdul Jabbar ,&nbsp;Shahid Iqbal ,&nbsp;Umer Younas ,&nbsp;Arfaa Sajid ,&nbsp;Qaisar Manzoor ,&nbsp;Zohaib Saeed ,&nbsp;Anam Sajid ,&nbsp;Awais Ahmad ,&nbsp;Dongwhi Choi","doi":"10.1016/j.rechem.2025.102432","DOIUrl":"10.1016/j.rechem.2025.102432","url":null,"abstract":"<div><div><em>Adhatoda vasica (L.) Nees</em> holds prominence as a medicinal plant in Unani and Ayurvedic traditions. This study evaluates conventional versus modern extraction processes for isolating bioactive constituents from <em>Adhatoda vasica</em> leaves (AVL), using soxhlet extraction (SE), cold maceration (CM), microwave assisted extraction (MAE), and ultrasound assisted extraction (UAE) techniques and evaluate their scavenging potential. The maximum extraction yield (34.56 %) was achieved using MAE, followed by UAE, SE, and CM. The radical scavenging potential of AVL bioactive compounds was evaluated using 2,2-Diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), iron chelating (ICS), and 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) assays. Results indicated that DPPH and ABTS showed 38.45 ± 1.87 % and 76.19 ± 0.98 % inhibition, respectively. The reducing power capacity was observed as 461.56 ± 1.90 mmol AAE/10 g, while iron chelating activity was 65.3 ± 1.76 μg Na₂EDTA/10 g. The MAE fraction exhibited the highest contents of flavonoids (46.21 ± 1.96 μg ECE/g), phenolics (55.69 ± 1.54 mg GAE/g), tannins (5.77 ± 1.57 mg TAE/g), and ascorbic acid (36.4 ± 1.54 mg AA/100 g). Due to highest scavenging potential chemical profiling of MAE fraction was performed using gas chromatography–mass spectrometry (GC–MS) and high-performance liquid chromatography (HPLC). GC–MS analysis without derivatization identified fourteen compounds, while derivatization with <em>N</em>,<em>O</em>-bis(trimethylsilyl) trifluoro acetamide revealed twelve additional compounds; n-butanol and ethanol fractions exhibited two and four compounds, respectively. HPLC analysis confirmed the presence of major phytochemicals including quercetin, gallic acid, syringic acid, and vitamin C. The results exhibit that AVL are abundant with phenolic compounds, and microwave-assisted extraction are highly effective in maximizing the yield of bioactive components. Due to their potent radical scavenging properties, these bioactives hold significant potential for use in the food, pharmaceutical, and cosmetic industries.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102432"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322247","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":"Computational-aided understanding of metabolic mechanism: A case study","authors":"Zi-Xuan Wang ,&nbsp;Ming-Yu Bai ,&nbsp;Xing-Feng Ni ,&nbsp;Qian Liu ,&nbsp;Nuo Qiao ,&nbsp;Meng-Yuan Zhang ,&nbsp;Jin Yang ,&nbsp;Qing-Qing Li ,&nbsp;Ning Huang ,&nbsp;Meng Sun ,&nbsp;Zong-Hao Zhao ,&nbsp;Ning Ding ,&nbsp;Yan-Cheng Yu ,&nbsp;Xiao-Long Wang ,&nbsp;Shan-Liang Sun ,&nbsp;Chen-Xiao Shan ,&nbsp;Nian-Guang Li ,&nbsp;Zhi-Hao Shi","doi":"10.1016/j.rechem.2025.102453","DOIUrl":"10.1016/j.rechem.2025.102453","url":null,"abstract":"<div><div>This study presents an innovative computational method, combined with experimental validation, to predict and elucidate the metabolic pathways of <strong>SILA-123</strong>, a novel FLT3 inhibitor. Using UFLC/Q-TOF MS, we identified 21 metabolites generated through key reactions (oxidation, reduction, hydrolysis, cleavage, deamination, and glucuronidation). Advanced computational techniques were applied to identify key metabolic enzymes, with results confirmed experimentally. Our findings represent a significant advancement in the field of metabolic prediction. By integrating computational methods with experimental data, we have established a robust framework that can be applied to other therapeutic compounds. This approach not only enhances our understanding of <strong>SILA-123</strong>'s metabolic pathways but also provides a novel strategy for guiding metabolic prediction.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102453"},"PeriodicalIF":2.5,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313278","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":"Bio-based graphene-coated Co@CS catalysts are used to selectively hydrogenate nitriles to prepare primary amines via flow synthesis under mild conditions","authors":"Siyi Mi ,&nbsp;Jianguo Liu","doi":"10.1016/j.rechem.2025.102452","DOIUrl":"10.1016/j.rechem.2025.102452","url":null,"abstract":"<div><div>Amines are basic components of bioactive compounds, natural products, drugs, and functional materials. Catalytic hydrogenation of nitrile compounds to corresponding amines is a green and efficient production method. Compared with heterogenous metal catalyzed batch reactions in high pressure of hydrogen, the flow synthesis method using heterogeneous metal catalysts can achieve higher catalyst efficiency and productivity, as well as much safer practical application. Moreover, the development of multiple utilizations of sustainable biomass materials especially in developing biobased materials for catalysts is highly demanding. So in this work, advanced flow synthesis methodology was used to prepare primary amines via bio-based chitosan Co@CS heterogeneous catalyst through the catalytic hydrogenation of nitrile. The effects of temperature, pressure, ammonia concentration, and liquid flow rate on the flow reaction were investigated. Under the optimal reaction conditions, the benzonitrile (BN) conversion rate was greater than 99 %, and the selectivity of benzylamine exceeded 99 %. The synthesized graphene-encapsulated Co-based catalyst with chitosan as the carrier material was tested for a long time to verify the stability of the Co@CS catalyst. The substrate expansion experiments of various aromatic nitriles gave satisfactory primary amine yields. Due to its exceptional mass and heat transport properties, the H-Flow system offers an efficient route for the large-scale synthesis of primary amines from biomass platform compounds in industrial production. This study provides new ideas and references for preparing highly selective primary amines by industrial-scale hydrogenation of nitrile compounds.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102452"},"PeriodicalIF":2.5,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366335","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":"Electrochemical synthesis of poly 4, 4′-methylenedianiline /graphene oxide composite by in situ method as sensitive and selective sensor of thioanisole","authors":"Esmail Mohseni ,&nbsp;Abdolrasoul Rahmani ,&nbsp;Ali Kazemi ,&nbsp;Zahra Hamdi","doi":"10.1016/j.rechem.2025.102451","DOIUrl":"10.1016/j.rechem.2025.102451","url":null,"abstract":"<div><h3>Background</h3><div>Sulfur compounds with undesirable properties present in oil and petroleum products have become a global concern, prompting scientists to conduct research into the identification and removal of these compounds.</div></div><div><h3>Methods</h3><div>A voltammetric sensor based on a poly4.4′-methylenedianiline /graphene oxide electrode (PMDA/GO) has been developed for the sensitive and selective detection of thioanisole. The electrosynthesis of the polymer composite was performed by in situ method. No crosslinker was used for polymer synthesis. Non-covalent bonding such as π-π stacking effect between PMDA/GO and thioanisole, made the compact imprinted polymer and imprinted sites.Poly (4.4′-methylenedianiline)/graphene oxide were characterized by Field emission scanning electron microscopy, UV–Vis spectroscopy, Thermogravimetric analysis, Differential thermal analysis and differential scanning calorimetry. By Cyclic voltammetry was also found that the poly PMDA/GO exhibit good specific detection of thioanisol when used as molecular imprinted polymer (MIP) electrodes.</div></div><div><h3>Significant findings</h3><div>The obtained cyclic voltammograms of the MIP electrode showed one irreversible anodic peak at ∼1.5 V. The square wave cathodic current exhibits a linear response to thioanisol over a concentration range of 50(mg L⁻¹) to 200(mg L⁻¹) with a correlation coefficient (R²) of 0.979, a detection limit (LOD) 7 mg L⁻¹ and a quantification limit (LOQ) 26 mg L⁻¹. The proposed method for thioanisole detection shows that the imprinted sensor exhibits improved sensitivity to thioanisole compared to a non-imprinted polymer (NIP).</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"16 ","pages":"Article 102451"},"PeriodicalIF":2.5,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330155","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}