Chemical Physics Impact最新文献

Tailored size control of silica nanoparticles for drug delivery: A systematic study of synthesis parameters 用于药物递送的二氧化硅纳米颗粒的定制尺寸控制：合成参数的系统研究

IF 3.8

Chemical Physics Impact Pub Date : 2025-07-16 DOI: 10.1016/j.chphi.2025.100914

Ghaseb Makhadmeh , Khaled Aljarrah , M-Ali H. Al-Akhras , Tariq AlZoubi , Abdulsalam Abuelsamen , Mahmoud Al Gharram , Samer Zyoud , Bojan Lazarevic , Mohamed A O Abdelfattah , Ahmad M. AL-Diabat

{"title":"Tailored size control of silica nanoparticles for drug delivery: A systematic study of synthesis parameters","authors":"Ghaseb Makhadmeh , Khaled Aljarrah , M-Ali H. Al-Akhras , Tariq AlZoubi , Abdulsalam Abuelsamen , Mahmoud Al Gharram , Samer Zyoud , Bojan Lazarevic , Mohamed A O Abdelfattah , Ahmad M. AL-Diabat","doi":"10.1016/j.chphi.2025.100914","DOIUrl":"10.1016/j.chphi.2025.100914","url":null,"abstract":"<div><div>Controlling the size of silica nanoparticles (SiNPs) is crucial for optimizing their efficacy in drug delivery applications. This study presents a micelle entrapment method utilizing triethoxyvinylsilane (TEVS) as a silica precursor, butanol as a solvent, Tween 80 as an anionic surfactant, and aqueous ammonia as a catalyst to finely control SiNP sizes. Systematic investigations into reaction temperature, butanol volume, and TEVS volume enabled precise nanoparticle sizing from 15 nm to 1800 nm. Specifically, raising the temperature from 22 °C to 47 °C and increasing butanol from 2 mL to 10 mL resulted in size increments ranging from 27 nm to 172 nm and 15 nm to 1800 nm, respectively. TEM analysis showed that increasing TEVS volume (1 mL to 4 mL) produced bimodal particle distributions with consistent particle sizes. Spherical morphology was confirmed via TEM and Malvern Zetasizer Nano ZS measurements. Predictive equations correlating synthesis parameters and nanoparticle sizes were established, providing a practical tool to achieve targeted SiNP sizes without additional experimentation.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100914"},"PeriodicalIF":3.8,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670581","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

NiS-ZnS quantum dots as visible-light photocatalysts for enhanced dye degradation in sustainable wastewater treatment NiS-ZnS量子点作为可见光催化剂在废水可持续处理中增强染料降解

IF 3.8

Chemical Physics Impact Pub Date : 2025-07-12 DOI: 10.1016/j.chphi.2025.100912

Vigneshwaran Alagarsamy , Nachimuthu Venkatesh , S Ahamed Roshan , Sakthivel Pandurengan , Lalitha Gnanasekaran , Kanagasabai Viswanathan , Govindhasamy Murugadoss

{"title":"NiS-ZnS quantum dots as visible-light photocatalysts for enhanced dye degradation in sustainable wastewater treatment","authors":"Vigneshwaran Alagarsamy , Nachimuthu Venkatesh , S Ahamed Roshan , Sakthivel Pandurengan , Lalitha Gnanasekaran , Kanagasabai Viswanathan , Govindhasamy Murugadoss","doi":"10.1016/j.chphi.2025.100912","DOIUrl":"10.1016/j.chphi.2025.100912","url":null,"abstract":"<div><div>Nickel Sulfide–Zinc Sulfide Quantum Dots (NiS-ZnS QDs) have gained attention as efficient photocatalysts for breaking down organic dyes due to their adjustable optoelectronic characteristics and improved photocatalytic efficiency. In the present work, NiS, ZnS, and NiS-ZnS QDs were prepared using a chemical precipitation approach and thoroughly analysed through characterization techniques. The incorporation of Ni into the ZnS lattice was found to significantly modulate the band gap, facilitating improved visible light absorption. The photocatalytic performance of the synthesized NiS-ZnS QDs was evaluated through the degradation of Methylene Blue (MB) and Rose Bengal (RB) under visible-light irradiation. The results demonstrated a substantial enhancement in dye degradation efficiency compared to ZnS QDs and NiS, attributed to the suppression of electron-hole recombination, increased generation of reactive oxygen species (ROS), and improved charge carrier separation. Remarkably, the NiS-ZnS QDs achieved degradation efficiencies of 96.91 % for MB and 97.12 % for RB under visible light exposure, showcasing their superior photocatalytic activity. These findings highlight the potential of NiS-ZnS QDs as a highly efficient and economically viable photocatalyst for sustainable wastewater treatment applications. Furthermore, the efficient degradation of mixed dye solutions highlights the practical applicability of the photocatalyst, underscoring its potential for real-world wastewater treatment applications. Tuning the optical and electronic properties of these quantum dots via nickel doping offers promising opportunities for designing advanced photocatalytic materials aimed at environmental cleanup.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100912"},"PeriodicalIF":3.8,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662621","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

Effect of Au catalyst on the growth of the nanostructures prepared using VPT technique for enhanced biosensing performance of ZnO matrix 金催化剂对VPT技术制备的纳米结构生长的影响，以增强ZnO基质的生物传感性能

IF 3.8

Chemical Physics Impact Pub Date : 2025-07-05 DOI: 10.1016/j.chphi.2025.100909

Neha Batra , Jatinder Pal Singh , Monika Tomar , Arijit Chowdhuri , Sonam Mahajan , Bilasini Devi Naorem

{"title":"Effect of Au catalyst on the growth of the nanostructures prepared using VPT technique for enhanced biosensing performance of ZnO matrix","authors":"Neha Batra , Jatinder Pal Singh , Monika Tomar , Arijit Chowdhuri , Sonam Mahajan , Bilasini Devi Naorem","doi":"10.1016/j.chphi.2025.100909","DOIUrl":"10.1016/j.chphi.2025.100909","url":null,"abstract":"<div><div>The current work investigates the influence of the Au catalyst layer on the development of ZnO nanostructures using the vapour liquid solid (VLS) modification of the vapour phase transport technique and their suitability as an efficient platform for detection of free cholesterol. ZnO nanostructures were prepared with and without the catalyst and subsequently, were characterized for structural, morphological, electrical and electrochemical properties. These ZnO nanostructures were deposited on platinum coated silicon (Pt/Si) to fabricate bioelectrodes forming ZnO/Pt/Si and ZnO/Au/Pt/Si configuration. The presence of catalyst was seen to considerably enhance the crystallinity, mobility, shape and morphology of the fabricated nanostructures. Most importantly, it was seen to enhance the electron transfer characteristics leading to a better electrochemical response. It was observed that the bioelectrode with Au as a catalyst layer leads to enhancement in sensitivity of ZnO nanostructures towards the detection of free cholesterol. The enhanced biosensing performance with sensitivity of 280 µAmM<sup>-1</sup>cm<sup>-1</sup>, linearity across a wide range from 0.12–12.93 mM of cholesterol and shelf life of 10 weeks is attributed to the presence of Au catalyst. Additionally, the study demonstrated that the Au-catalyzed ZnO nanostructures exhibit excellent reproducibility and stability, essential for practical biosensor applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100909"},"PeriodicalIF":3.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588752","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

Enhanced solar energy harvest in dye-sensitized solar cells using silver-doped TiO2 Photoelectrodes via Spray Pyrolysis 通过喷雾热解方法利用掺杂银的TiO2光电极增强染料敏化太阳能电池的太阳能收获

IF 3.8

Chemical Physics Impact Pub Date : 2025-07-03 DOI: 10.1016/j.chphi.2025.100910

Piranave Sritharan , Meena Senthilnanthanan , Punniamoorthy Ravirajan , Dhayalan Velauthapillai , Gamaralalage Rajanya Asoka Kumara , Balraju Palanisamy

{"title":"Enhanced solar energy harvest in dye-sensitized solar cells using silver-doped TiO2 Photoelectrodes via Spray Pyrolysis","authors":"Piranave Sritharan , Meena Senthilnanthanan , Punniamoorthy Ravirajan , Dhayalan Velauthapillai , Gamaralalage Rajanya Asoka Kumara , Balraju Palanisamy","doi":"10.1016/j.chphi.2025.100910","DOIUrl":"10.1016/j.chphi.2025.100910","url":null,"abstract":"<div><div>This study focuses on doping TiO<sub>2</sub> with trace amounts of Ag⁺ ions, employing spray pyrolysis to prepare the Ag-doped TiO<sub>2</sub> photoelectrode for application in Dye-Sensitized Solar Cells (DSSCs). In this regard, Ag-doped TiO<sub>2</sub> nanomaterials were initially synthesized from Titanium(IV) isopropoxide (TTIP) with varying concentrations of Silver nitrate (AgNO<sub>3</sub>). The structural and optical characterizations of the synthesized nanomaterials confirmed the presence of TiO<sub>2</sub> in pure anatase phase and enhanced light absorption, respectively. The morphological characterization of Ag-doped TiO<sub>2</sub> nanomaterials revealed spherical shaped particles. Subsequently, the DSSCs were fabricated using Ruthenium-based N719 dye and imidazolium iodide/ triiodide redox couple as the sensitizer and electrolyte, respectively. Photovoltaic performances were evaluated under simulated solar irradiation (100 mW cm<sup>−2</sup>, 1 sun, AM 1.5). The optimized device with 3 mmol % Ag-doped TiO<sub>2</sub> photoelectrode exhibited PCE (η) of 8.32 %, which was about 13 % greater than the device with un-doped TiO<sub>2</sub> (η = 7.35 %). The observed upsurge in PCE is due to the 10 % increase in short-circuit current density (<em>J<sub>SC</sub></em>) value resulting from enhancement in visible light absorption which was confirmed by UV–Visible spectroscopic analysis. Moreover, an improved electron transport in the Ag-doped TiO<sub>2</sub> based device was confirmed by electrochemical impedance spectroscopic study which is ascribed to the significant reduction in charge recombination. These findings demonstrate the potential of Ag-doped TiO<sub>2</sub> for enhanced DSSC performance, offering a viable pathway for improving solar energy conversion efficiency.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100910"},"PeriodicalIF":3.8,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588753","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

Platinum nanoclusters incorporated on zinc oxide nanosheets with enhanced mass activity for efficient hydrogen production 铂纳米团簇结合在氧化锌纳米片上，具有增强的质量活性，可以有效地生产氢

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-28 DOI: 10.1016/j.chphi.2025.100911

Khaled M. AlAqad

{"title":"Platinum nanoclusters incorporated on zinc oxide nanosheets with enhanced mass activity for efficient hydrogen production","authors":"Khaled M. AlAqad","doi":"10.1016/j.chphi.2025.100911","DOIUrl":"10.1016/j.chphi.2025.100911","url":null,"abstract":"<div><div>A two-step process using hydrothermal and chemical reduction methods was employed to integrate platinum nanoclusters onto zinc oxide nanosheets (ZnO NSs). The intense interaction between the nanoclusters (Pt) and ZnO NSs enhanced the electron transfer rate, resulting in exceptional electrocatalytic activity toward the HER and outstanding durability. In an acidic medium (0.5 M), the developed Pt/ZnO NSs electrocatalyst achieved an overpotential of -44 mV vs. RHE, affording a current density of -10 mA cm<sup>−2</sup> with a low Tafel slope of 25 mV dec<sup>−1</sup>. The Pt/ZnO NSs electrode showed high mass activity (194.3 mA mg<sup>−1</sup>), 3.4-fold higher than the 20 % Pt/C (57.14 mA mg<sup>−1</sup>) at an overpotential of -44 mV. The turnover frequency of the Pt/ZnO NSs (0.52 s<sup>−1</sup>) is higher than that of the 20 % Pt/C (0.166 s<sup>−1</sup>) electrode. The impedance spectroscopy measurements investigated the strong coupling interaction between the platinum nanoclusters and ZnO NSs, which supports the high HER activity and facilitates electron transfer kinetics. Furthermore, the charge transfer resistance of the Pt/ZnO NSs is less than that of the 20 % Pt/C, which might be ascribed to the strong interaction between ZnO and Pt and the facile electron mobility from the conduction band of ZnO to Pt metal</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100911"},"PeriodicalIF":3.8,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536174","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

Low-temperature sinterable silver paste for die-attachment of wide band gap power electronics 宽带隙电力电子模具附件用低温烧结银浆料

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-27 DOI: 10.1016/j.chphi.2025.100908

Yun Ah Kim , Zhiyan Li , GiPyo Kim , Min-Su Kim , Min Ju Yu , Hyun Kook Kim , Dong Hwan Park , Byungkwon Lim

{"title":"Low-temperature sinterable silver paste for die-attachment of wide band gap power electronics","authors":"Yun Ah Kim , Zhiyan Li , GiPyo Kim , Min-Su Kim , Min Ju Yu , Hyun Kook Kim , Dong Hwan Park , Byungkwon Lim","doi":"10.1016/j.chphi.2025.100908","DOIUrl":"10.1016/j.chphi.2025.100908","url":null,"abstract":"<div><div>Herein, we introduce a simple fabrication method of the Ag paste for low-temperature sintering for die-attachment of WBG power electronics. Silver nanoparticles (Ag NPs) were chosen for the die-attachment materials for their superior electrical and thermal conductivity and capability of low-temperature sintering driven by nano-sized structures. Ag paste was fabricated by simply mixing Ag NPs with general organic solvents without any organic additives. The optimal composition of the Ag paste was selected with 2-butoxyethanol as a solvent and the Ag content with 70 wt. %. The optimized Ag paste showed good processability to the screen-printing method with a low-roughness surface without visible cracks. We obtained a superior shear strength of 55.5 MPa with fast sintering for 150 s at 180 °C. Despite the low sintering temperature and short holding time, Ag NPs could be rapidly melted and densified due to their large surface areas and low-temperature decomposable organic ligands around the Ag NPs. Dense Ag joint also exhibited low porosity under 6 % leads to robust structures. Based on these results, we confirm that our low-temperature sinterable Ag paste has the potential as a promising material for die-attachment of WBG power electronics.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100908"},"PeriodicalIF":3.8,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144556766","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

Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone 新型有机晶体2-溴-3-（对溴苯磺酰）-5,5-二甲基环己酮的合成、结构解析和计算分析

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-25 DOI: 10.1016/j.chphi.2025.100900

A.S. Jeevan Chakravarthy , N.R. Sreenatha

{"title":"Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone","authors":"A.S. Jeevan Chakravarthy , N.R. Sreenatha","doi":"10.1016/j.chphi.2025.100900","DOIUrl":"10.1016/j.chphi.2025.100900","url":null,"abstract":"<div><div>The synthesized compound, 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethylcyclohexanone (<strong>3</strong>) was characterized through NMR spectroscopy and single-crystal X-ray diffraction analysis. The X-ray studies reveals that compound <strong>(3)</strong> is crystallized in a monoclinic lattice system with the space group:<span><math><msub><mrow><mi>P</mi></mrow><mrow><msub><mrow><mn>2</mn></mrow><mrow><mn>1</mn><mo>/</mo><mi>c</mi></mrow></msub></mrow></msub></math></span>. The structure of molecule as whole adopts a non-planar geometry with puckering environment. The hydrogen bonding interactions of the type C<img>H…O were observed in the crystal packing of title compound <strong>(3)</strong>. These interactions were recognized through computational approach by generating three-dimensional Hirshfeld surfaces with various properties and they are quantified by two-dimensional graphical tool viz. fingerprint analysis. Additionally, the stability and integrity of the crystal packing were assessed by calculating three-dimensional interaction energies using the HF/3-21G energy density model.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100900"},"PeriodicalIF":3.8,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517428","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

Plant-mediated biosynthesis of Nickel (II) oxide nanoparticles from Calpurnia Aurea Leaf extract: A promising photocatalyst for malachite green degradation 金莲叶提取物中氧化镍纳米颗粒的植物介导生物合成：一种有前途的降解孔雀石绿的光催化剂

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-24 DOI: 10.1016/j.chphi.2025.100906

Abrha Berhe, Fentahun Tilahun, Amogne Wendu, Worku Lakew

{"title":"Plant-mediated biosynthesis of Nickel (II) oxide nanoparticles from Calpurnia Aurea Leaf extract: A promising photocatalyst for malachite green degradation","authors":"Abrha Berhe, Fentahun Tilahun, Amogne Wendu, Worku Lakew","doi":"10.1016/j.chphi.2025.100906","DOIUrl":"10.1016/j.chphi.2025.100906","url":null,"abstract":"<div><div>The current work investigation involves the synthesis of NiO NPs using <em>Calpurnia Aurea</em> leaf aqueous extract-based phytocompounds as NPs facilitating agents for application as effective photocatalyst in the degradation of MG. The obtained NiO NPs were characterized using various techniques, including FTIR, XRD, and SEM. The XRD analyses of NiO NPs indicated the crystalline nature of NiO NPs showed that face- center cubic structure with the average crystalline size, the specific surface area, and percent of crystallinity are 17.61 nm, 49.5 m<sup>2</sup>/g, and 91.4 % respectively. FTIR analysis showed the presence of a stretching frequency peak at 438 and 557cm<sup>-1</sup>, confirming the Ni–O band stretching. Results demonstrated that NiO NPs showed high photo-catalytic rates with 98.17 % degradation of Malachite green (MG) within 30 min under visible light irradiation. Moreover, NiO NPs calcined at 400 °C was more efficient photo-catalyst than the other NiO NPs calcined at 300 °c, and 500 °C with 1.41, and 2.96 times higher kinetic rates for the removal of MG, respectively. The active species involved in degradation process were systematically investigated and a photo-catalytic mechanism was proposed. In addition, NiO NPs showed good recyclability and reusability of resistance to photo-corrosion even after 120 min of consecutive photo-catalytic activity. Overall, the green synthesized NiO NPs exhibited considerable potential for fast and eco-friendly removal of harmful organic dyes.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100906"},"PeriodicalIF":3.8,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510783","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

In vitro pharmacological activities and phytochemical investigation of Cinnamomum walaiwarense Kosterm 肉桂体外药理活性及植物化学研究

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-22 DOI: 10.1016/j.chphi.2025.100905

M. Manojkumar , M. Mayilsamy

{"title":"In vitro pharmacological activities and phytochemical investigation of Cinnamomum walaiwarense Kosterm","authors":"M. Manojkumar , M. Mayilsamy","doi":"10.1016/j.chphi.2025.100905","DOIUrl":"10.1016/j.chphi.2025.100905","url":null,"abstract":"<div><div>Cinnamon trees are small evergreens with aromatic bark and leaves. The spice, consisting of the dried inner aromatic bark, brown in color and has a delicately fragrant aroma. The present study explores pharmacological properties of Lauraceae Family - <em>Cinnamomum walaiwarense</em>, a lesser-known and critically endangered species, is endemic to the biodiverse South-Western Ghats of India. The spices from the dried inner bark, is brown with a sweet, aromatic fragrance. Bark samples were sequentially extracted in organic solvents ethylacetate into five different concentrations. The resulting extracts were evaluated for presence of secondary metabolites through standard phytochemical assays. Saponins were identified as the most abundant phytoconstituents, along with other known compounds. To assess the therapeutic significance of secondary metabolites, the ethyl acetate extract further examined for anti-cancer, anti-inflammatory, antioxidant, and anti-diabetic properties through established in-vitro assays. The extract demonstrated promising bioactivity across the carried assays, suggesting a broad-spectrum pharmacological potential. These findings reveals valuable preliminary evidence supporting the medicinal significance of <em>C. walaiwarense</em>, while also underpinning the ecological determination of conserving this rare endemic species. This study supports further pure compound isolation and in-vivo validation, spotlighting the untapped therapeutic potential of the underexplored species</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100905"},"PeriodicalIF":3.8,"publicationDate":"2025-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557332","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

Investigation of free radical scavenging activities of some Isatin Schiff bases (OH versus NH). A DFT Study 一些Isatin Schiff碱（OH和NH）清除自由基活性的研究。DFT研究

IF 3.8

Chemical Physics Impact Pub Date : 2025-06-16 DOI: 10.1016/j.chphi.2025.100904

Habiba Boudiaf , Nadjia Latelli , Roumaissa Khelifi , Salima Hamadouche , Lynda Merzoud , Christophe Morell , Henry Chermette

{"title":"Investigation of free radical scavenging activities of some Isatin Schiff bases (OH versus NH). A DFT Study","authors":"Habiba Boudiaf , Nadjia Latelli , Roumaissa Khelifi , Salima Hamadouche , Lynda Merzoud , Christophe Morell , Henry Chermette","doi":"10.1016/j.chphi.2025.100904","DOIUrl":"10.1016/j.chphi.2025.100904","url":null,"abstract":"<div><div>In the present study we analyze various mechanisms of primary antioxidant action of a series of Schiff bases of isatin and its derivatives. For the purpose, theoretical calculations have been performed by means of density functional theory (DFT), using the hybrid functional M05–2X, range-separated functional LC-ωPBE and 6–31+G (d, p) basis set. The reactivity of these Schiff bases has been investigated and interpreted using chemical reactivity descriptors in gas and solvents phase. The two computational approaches used provide identical mechanisms trends in gas and non -polar phase and they are shown that the hydrogen atom transfer (HAT) mechanism is more favored. In contrast, the polarity of the solvent plays a crucial role in the antioxidant activity mechanism, as a higher solvent polarity enhances the contribution of the sequential proton loss electron transfer (SPLET) mechanism. It is found that the isatin group did not suppress the antioxidant effect of the disubstituted Schiff bases products as suggested by the experimental results.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100904"},"PeriodicalIF":3.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335890","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