Results in Chemistry最新文献_第2页

Phytochemical profiling, antioxidant potential, and in silico evaluation of Carica papaya seed oil 番木瓜籽油的植物化学分析、抗氧化潜力和计算机评价

IF 4.2

Results in Chemistry Pub Date : 2025-09-27 DOI: 10.1016/j.rechem.2025.102751

Sabir Khan , Zeemal Seemab Amin , Bushra Shakoor , Ali irfan , Muhammed Tilahun Muhammed , Katarzyna Kotwica-Mojzych , Yousef A. Bin Jardan , Mariola Glowacka , Shazia Perveen , Mariusz Mojzych

{"title":"Phytochemical profiling, antioxidant potential, and in silico evaluation of Carica papaya seed oil","authors":"Sabir Khan , Zeemal Seemab Amin , Bushra Shakoor , Ali irfan , Muhammed Tilahun Muhammed , Katarzyna Kotwica-Mojzych , Yousef A. Bin Jardan , Mariola Glowacka , Shazia Perveen , Mariusz Mojzych","doi":"10.1016/j.rechem.2025.102751","DOIUrl":"10.1016/j.rechem.2025.102751","url":null,"abstract":"<div><div><em>Carica papaya</em> seeds, traditionally used in folk medicine, have garnered scientific interest due to their potential therapeutic properties. The study investigates the antioxidant potential and compound composition of <em>Carica papaya</em> seed oil. Utilizing GC–MS analysis, we identified 42 significant compounds in the n-hexane fraction of the oil, with notable constituents including benzyl nitrile (3.43 %), pentadecanoic acid 14-methyl-methyl ester (5.23 %), and n-hexadecanoic acid (7.11 %). The antioxidant activity of the oil was assessed using DPPH radical scavenging assays, revealing a maximum inhibition activity of 61.13 % at a concentration of 100 mg/mL, compared to 76.23 % for the standard vitamin C. For further precise binding pose predictions, Schrödinger's Glide module was used for molecular docking. Docking scores and molecular interaction profiles were used to evaluate binding interactions after the produced ligands were docked into the receptor grid. The greatest docking score (−6.657) was shown by 6-chloro for 5B6N, 1H-Indole-2-carboxylic acid, which formed hydrogen bonds with PHE 207 and VAL 187, two essential residues for ligand stabilization. Further, the molecular dynamics simulation study disclosed that the complexes of the relatively active phytoconstituents with the target structures were stable. These findings highlight the therapeutic potential of <em>Carica papaya</em> seed oil as a natural antioxidant, suggesting its viability for further research and application in health-related fields.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102751"},"PeriodicalIF":4.2,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217099","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}

引用次数: 0

A benign and efficient two-pot PMHS reductive amidation of nitroarenes and carboxylic acids 硝基芳烃和羧酸的良性高效双罐PMHS还原酰胺化

IF 4.2

Results in Chemistry Pub Date : 2025-09-26 DOI: 10.1016/j.rechem.2025.102746

Musawenkosi H.L. Nyathi, Banele Vatsha, Paseka T. Moshapo

引用次数: 0

Repurposing mandarin peels for catalytically robust laccase production using Achromobacter denitrificans ISO16 利用反硝化无色杆菌ISO16对柑桔皮进行催化强力漆酶生产的再利用

IF 4.2

Results in Chemistry Pub Date : 2025-09-26 DOI: 10.1016/j.rechem.2025.102750

John Onolame Unuofin, Khomotso Semenya

{"title":"Repurposing mandarin peels for catalytically robust laccase production using Achromobacter denitrificans ISO16","authors":"John Onolame Unuofin, Khomotso Semenya","doi":"10.1016/j.rechem.2025.102750","DOIUrl":"10.1016/j.rechem.2025.102750","url":null,"abstract":"<div><div>Mandarin peels are an abundant and underutilized waste resource rich in polysaccharides, polyphenols and other essential nutrients. It is presumed that this resource can be harnessed for microbial fermentation processes, particularly catalytically-robust laccases production. This study investigated the bio-valorization of mandarin peels through response surface methodology (RSM). The model generated facilitated the computation of interactive experimental factors (pH: 5, mandarin peels: 12.5 g/L agitation: 100 rpm, NH<sub>4</sub>NO<sub>3</sub>: 1 g/L) that stimulate maximum yield of laccase (136 U/mL) secreted by <em>Achromobacter denitrificans</em> ISO16. Consequently, ISO16 laccase demonstrated tolerance, recouping at least 77 % activity after exposure to extremes in pH, temperature, salts, cations, anions and surfactants. Moreover, it was able to decolourize up to 0.2 % w v<sup>−1</sup> (2 g/L) concentrations of synthetic dyes and correspondingly facilitate a single-loop denim biobleaching. These characteristics pose ISO16 laccase as a potential industrial biocatalyst and emphasizes the importance of optimized valorization of mandarin peels to solve environmental pollution.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102750"},"PeriodicalIF":4.2,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217104","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}

引用次数: 0

Experimental and theoretical studies on the vibrational spectra and active sites of novel multisubstituted spirocycle isoindolinone-chromene hybrid derivatives 新型多取代螺环异吲哚啉-铬杂化衍生物的振动谱和活性位点的实验与理论研究

IF 4.2

Results in Chemistry Pub Date : 2025-09-25 DOI: 10.1016/j.rechem.2025.102744

DaYong Liu , JiangTao Han , MingXia Tang , ZiJian Wang , YuanYao Li , Di Zhao , GaoYu Yi , Ming Feng , Ge Guo

{"title":"Experimental and theoretical studies on the vibrational spectra and active sites of novel multisubstituted spirocycle isoindolinone-chromene hybrid derivatives","authors":"DaYong Liu , JiangTao Han , MingXia Tang , ZiJian Wang , YuanYao Li , Di Zhao , GaoYu Yi , Ming Feng , Ge Guo","doi":"10.1016/j.rechem.2025.102744","DOIUrl":"10.1016/j.rechem.2025.102744","url":null,"abstract":"<div><div>This study investigates the novel compound (Z)-2′-amino-3-(3,5-dichloro-4-hydroxybenzylidene)-6-(diethylamino)-3H-spiro[cyclopenta[<em>b</em>]chromene-9,1′-isoindolin]-3′-one(<strong>SPI</strong>), a spiroindolenone-chromene, through experimental and theoretical methods. Vibrational modes of SPI were identified using DFT and PED analyses, with calculated spectra matching experimental data. Frontier molecular orbital analysis revealed a HOMO-LUMO gap of 2.934 eV and ESP maps identified electrophilic regions. UV–Vis absorption spectra in various solvents were obtained and validated through TD-DFT simulations, elucidating electron transitions. Molecular docking with MDM2 protein showed strong binding (−10.72 kcal/mol) via hydrogen bonding and π-π stacking. Thermodynamic analyses indicated a transition in dynamics above 700 K, suggesting SPI's potential for drug delivery. This approach lays the groundwork for designing spiro protodrugs with tailored properties, combining spectroscopy, electronic structure theory, and biomolecular modeling.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102744"},"PeriodicalIF":4.2,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217051","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}

引用次数: 0

An optimized and affordable process for the synthesis of DL-Cloprostenol sodium for animal producers 为动物生产商提供了一种优化且经济的合成dl -氯前列醇钠的工艺

IF 4.2

Results in Chemistry Pub Date : 2025-09-25 DOI: 10.1016/j.rechem.2025.102748

Nagarjuna Reddy Guttikonda , Muvvala Venkatanarayana , Sharath Babu Haridasyam , Battula Sreenivasa Rao

引用次数: 0

Electrochemical lead detection in water using Nafion coated platinum electrodes: A sensitive approach 用钠离子涂覆铂电极电化学检测水中铅：一种灵敏的方法

IF 4.2

Results in Chemistry Pub Date : 2025-09-25 DOI: 10.1016/j.rechem.2025.102745

Yusra M. Obeidat , Abdel Monem Rawashdeh

{"title":"Electrochemical lead detection in water using Nafion coated platinum electrodes: A sensitive approach","authors":"Yusra M. Obeidat , Abdel Monem Rawashdeh","doi":"10.1016/j.rechem.2025.102745","DOIUrl":"10.1016/j.rechem.2025.102745","url":null,"abstract":"<div><div>Lead is a widespread environmental pollutant with significant adverse effects on human health, particularly through contamination of drinking water and soil. The pressing need for highly sensitive, selective, and rapid detection methods has spurred extensive research across multiple disciplines. This has spurred increased interest in developing rapid and highly sensitive methods for detecting lead ions (Pb). In this paper, an innovative electrochemical sensor based on a solid-state electrolyte is introduced for lead detection in water. The sensor incorporates disposable screen-printed electrodes, including a platinum working electrode, a platinum counter electrode, and a silver reference electrode. Key performance indicators such as linearity, sensitivity, reproducibility, and detection limits were carefully evaluated within a lead concentration range of 0 mM to 4 mM. Lead concentrations were determined by monitoring current changes at varying levels. The sensor exhibited remarkable sensitivity with minimal interference from coexisting metal ions and stable performance across varying anion concentrations, and a strong linear correlation (R<sup>2</sup> = 0.99) between current and lead concentration, with a detection limit as low as 0.5 nM. Furthermore, it demonstrated a quick response time of 1–3 s, showcasing its potential for rapid and accurate water quality monitoring.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102745"},"PeriodicalIF":4.2,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217100","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}

引用次数: 0

Facile synthesis of chiral C-doped cerium oxide nanoparticle assemblies in the presence of phenylalanine-derived surfactant and their non-enzymatic electrocatalysis of glucose 手性c掺杂氧化铈纳米粒子在苯丙氨酸衍生表面活性剂存在下的简单合成及其对葡萄糖的非酶电催化作用

IF 4.2

Results in Chemistry Pub Date : 2025-09-25 DOI: 10.1016/j.rechem.2025.102740

Rui Zhang, Cuixia Huang, Fang Meng, Yuanhua Ding

{"title":"Facile synthesis of chiral C-doped cerium oxide nanoparticle assemblies in the presence of phenylalanine-derived surfactant and their non-enzymatic electrocatalysis of glucose","authors":"Rui Zhang, Cuixia Huang, Fang Meng, Yuanhua Ding","doi":"10.1016/j.rechem.2025.102740","DOIUrl":"10.1016/j.rechem.2025.102740","url":null,"abstract":"<div><div>Designing the chirality of inorganic nanostructures, such as individual nanoparticles and their assemblies, will offer a new potent platform for bioanalysis, chiral catalysis and chiral sensors etc.. Herein, the chiral C-doped cerium oxide nanoparticle assemblies were successfully synthesized by inducing an amino acid-based surfactant (N-(2-hydroxydodecyl)-<em>L</em>-phenylalanine) in a hydrothermal process. The chirality of the C-CeO<sub>2</sub> nanoparticle assemblies originates from the asymmetric geometries of CeO<sub>2</sub> nanoparticles, which were assembled by the doped linkage of carbon species from the synchronously decomposed surfactant during the hydrothermal process. The resultant C-CeO<sub>2</sub> nanoparticle assemblies demonstrate unique chiral features, and their chirality can be regulated by adjusting the surfactant concentration. Based on the chiral selectivity, CeO<sub>2,</sub> as a chiral artificial nanoenzyme, can show excellent electrocatalytic activity in the process of glucose oxidation. The chiral C-CeO<sub>2</sub> nanoparticles modified electrode could detect glucose in the wide range of 0.60 μM–2.00 mM, and a low detection limit of 1.359 μM (S/N = 3). Furthermore, the as-fabricated electrodes demonstrated good stability and an interference-free performance in real samples. The chiral C-CeO<sub>2</sub> nanomaterials will promise the novel application in the field of chiral catalysis, enantiospecific separation and chiral electrochemical sensors.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102740"},"PeriodicalIF":4.2,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217097","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}

引用次数: 0

Jeffrey-Hamel flow with heat and mass transfer characteristics of Jeffrey Nanofluid in a diverging-Converging Channel Jeffrey纳米流体在发散-收敛通道中传热传质特性的Jeffrey- hamel流动

IF 4.2

Results in Chemistry Pub Date : 2025-09-24 DOI: 10.1016/j.rechem.2025.102725

Waqas Ahmad, Sohail Rehman, Usman Riaz, Muhammad Saqib

{"title":"Jeffrey-Hamel flow with heat and mass transfer characteristics of Jeffrey Nanofluid in a diverging-Converging Channel","authors":"Waqas Ahmad, Sohail Rehman, Usman Riaz, Muhammad Saqib","doi":"10.1016/j.rechem.2025.102725","DOIUrl":"10.1016/j.rechem.2025.102725","url":null,"abstract":"<div><div>The flow with heat and mass transfer features of viscoelastic fluid in narrow diverging-converging channels have significant applications in polymer processing in convergent dies, and microfluidic devices like nozzles and Jet designs. The objective of this research is to examine the magnetohydrodynamics (MHD) Jeffrey-Hamel flow (JHF) with heat and mass transfer characteristics using well-known Buongiorno model and thermal radiation. The velocity slip, MHD, viscous dissipation, thermophoresis, Brownian motion, and thermal radiation are all included in the governing equations. The resulting coupled nonlinear boundary value problem is solved numerically using the Bvp4c method. The findings shows that the wall slip uplift velocity in convergent channel because of favorable pressure gradient which decreases the skin friction. The influence of relaxation to retardation time due to stress tensor of viscoelastic Jeffrey fluid shows conflicting behavior in both channel. The temperature profile is more sensitive to radiation, fluid parameter, Brownian, thermophoresis and viscous dissipation in divergent channel. The concentration of nanoparticles decreases with increasing Deborah number. The divergent channel exhibit higher Nusselt and Sherwood number than convergent section. The findings of this study are crucial for improving viscoelastic fluid flow in industrial systems where heat and mass transfer occur in a narrow geometries.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102725"},"PeriodicalIF":4.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155021","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}

引用次数: 0

Co-ZnO/Co₃O₄ heterostructures for superior dye degradation: mid-gap energy level and intent contact 优异染料降解的Co- zno /Co₃O₄异质结构：中隙能级和意图接触

IF 4.2

Results in Chemistry Pub Date : 2025-09-24 DOI: 10.1016/j.rechem.2025.102743

Debebe Mikore , Degefa Bekele , Defaru Negera , S. Giridhar Reddy , C.R. Ravikumar , B. Avinasha , H.C. Ananda Murthy , Dereje Tsegaye , Buzuayehu Abebe

{"title":"Co-ZnO/Co₃O₄ heterostructures for superior dye degradation: mid-gap energy level and intent contact","authors":"Debebe Mikore , Degefa Bekele , Defaru Negera , S. Giridhar Reddy , C.R. Ravikumar , B. Avinasha , H.C. Ananda Murthy , Dereje Tsegaye , Buzuayehu Abebe","doi":"10.1016/j.rechem.2025.102743","DOIUrl":"10.1016/j.rechem.2025.102743","url":null,"abstract":"<div><div>Improvement in materials' optical and charge transfer properties through simultaneous doping and interfacial contact has received significant attention in the catalysis field. In this study, cobalt-doped ZnO/Co₃O₄ (CZnO) heterostructures have been synthesized. The XRD pattern peak shift and appearance of the Co₃O₄ new peak on the XRD analysis confirm the cobalt ion insertion and development of an interfacial contact. The obtained average crystallite sizes for ZnO and CZnO are 26.3 and 10.7 nm, respectively. The interfacial contact between ZnO (0.273 nm) and Co₃O₄ (0.241 nm) crystals was also ratified from the HRTEM image lattice fringes analysis. The obtained particle size for CZnO is in the range of 27–50 nm, confirming the synthesized material is in the nanoscale size range. The well-scattered cobalt dispersal on the ZnO surface and anticipated elemental composition without impurities were confirmed from the EDS-mapping analysis. The attained indirect bandgap for ZnO and CZnO is 3.05 and 1.71 eV, respectively. The occurrence of a charge transfer process through the ZnO and Co₃O₄ interfacial contact was understood from the total PL intensity reduction for CZnO, compared to the ZnO. The 4.5 times greater methylene blue dye degradation enhancement for the CZnO (<em>k</em> = 0.141 min<sup>−1</sup>) than ZnO (<em>k</em> = 0.0312 min<sup>−1</sup>) is due to the improved charge transfer and optical properties. Thus, this porous CZnO heterostructure synthesized using a simple combustion approach has a novel future outlook for scale-up application.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102743"},"PeriodicalIF":4.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155399","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}

引用次数: 0

Molecular hybrid design, physicochemical, and thermal properties of new five quinoline sulfonyl hydrazide Schiff base derivatives: bioinformatics and antibacterial investigation 新的五种喹啉磺酰肼希夫碱衍生物的分子杂化设计、物理化学和热性能：生物信息学和抗菌研究

IF 4.2

Results in Chemistry Pub Date : 2025-09-24 DOI: 10.1016/j.rechem.2025.102742

H. Qrareya , S. Sadi , L. Abdallah , A. Zarrouk , F. Al battah , I. Warad

{"title":"Molecular hybrid design, physicochemical, and thermal properties of new five quinoline sulfonyl hydrazide Schiff base derivatives: bioinformatics and antibacterial investigation","authors":"H. Qrareya , S. Sadi , L. Abdallah , A. Zarrouk , F. Al battah , I. Warad","doi":"10.1016/j.rechem.2025.102742","DOIUrl":"10.1016/j.rechem.2025.102742","url":null,"abstract":"<div><div>Quinoline-sulfonohydrazide Schiff bases (QSHSB) have been synthesized in a substantial amount through the reflux dehydration of quinoline-8-sulfonohydrazide with various functionalized aldehydes in absolute ethanol and 68–94 % yields. The condensation synthetic reaction of the new QSHSB was tracked via two primary spectroscopic tools such as UV–visible and FT-IR. The optical characteristics of the target QSHSB ligands Tauc's ΔE<sub>g</sub> = 2.75–4.21 eV were revealed by effectively coordinating the UV–visible spectra with the experimental Tuac energy gap. Moreover, all the desired QSHSB ligands compositions were subjected additionally to MS, (<sup>1</sup>H &<sup>13</sup>C) NMR, CHN-EA, and EDX analysis. According to the TG/DTG results, the ligands are a material with a stable one-step thermal breakdown up to 225 °C. Meanwhile, all QSHSB met the Lipinski's (Ro5) requirements, and the ideal molecular hybrid drug design was determined by docking bioinformatics study with −8.0-11.0 kcal/mol binding energies; the best design included QSHSB <strong>2</strong>, as 4H-bonds with 1BNA were recorded. Moreover, the antimicrobial properties of QSHSB ligands have been demonstrated against both gram-positive and negative bacteria via MIC (62.5–125 μg/mL for <strong>3</strong>), IZD (10–13 mm), and MBC (62.5–500 μg/mL) methods.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102742"},"PeriodicalIF":4.2,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155039","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}

引用次数: 0