Chemical Physics Impact最新文献

One-stop service for perovskite synthesis and characterization by laser trapping 一站式服务钙钛矿合成和表征的激光俘获

IF 3.8

Chemical Physics Impact Pub Date : 2025-05-18 DOI: 10.1016/j.chphi.2025.100889

Md. Jahidul Islam, Saiful Islam

{"title":"One-stop service for perovskite synthesis and characterization by laser trapping","authors":"Md. Jahidul Islam, Saiful Islam","doi":"10.1016/j.chphi.2025.100889","DOIUrl":"10.1016/j.chphi.2025.100889","url":null,"abstract":"<div><div>Lead halide hybrid perovskites represent a group of compounds exhibiting remarkable potential for applications in solar cells, optoelectronics, and LEDs. Understanding their photophysical properties through scientific techniques is crucial for optimizing their performance in these various fields. In this research our core technique is laser trapping<strong>,</strong> which utilizes a continuouswave (CW) laser at 800 nm with a power of 0.6 W to manipulate precursor solutions. This focused laser beam allows for trapping-induced crystallization<strong>,</strong> enabling the formation of high-quality perovskite crystals directly within the measurement setup. Steady-state photoluminescence (PL) measurements are then performed using two-photon excitation at 400 nm using the CW mode of trapping laser. Additionally, photoluminescence lifetime measurements are conducted using the same laser in pulsed mode with picosecond excitation. By analyzing the PL decay over 6 nanoseconds, researchers can gain insights into the excited state dynamics of the perovskite. This work demonstrates the effectiveness of a one-stop approach for perovskite characterization. Laser trapping facilitates controlled crystal growth, while combined steady state PL and PL lifetime measurements provide a comprehensive picture of the material's light-matter interaction. This approach paves the way for efficient and in-depth analysis of novel perovskite materials for next-generation technologies.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100889"},"PeriodicalIF":3.8,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135107","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

Morphology-controlled nickel oxide nanostructures: unlocking high-performance supercapacitor applications 形态控制的氧化镍纳米结构：解锁高性能超级电容器的应用

IF 3.8

Chemical Physics Impact Pub Date : 2025-05-17 DOI: 10.1016/j.chphi.2025.100888

Govindhasamy Murugadoss , Narthana Kandhasamy , Irina V. Zaporotskova , Nachimuthu Venkatesh , Sunitha Salla , Sakthivel Pandurengan

{"title":"Morphology-controlled nickel oxide nanostructures: unlocking high-performance supercapacitor applications","authors":"Govindhasamy Murugadoss , Narthana Kandhasamy , Irina V. Zaporotskova , Nachimuthu Venkatesh , Sunitha Salla , Sakthivel Pandurengan","doi":"10.1016/j.chphi.2025.100888","DOIUrl":"10.1016/j.chphi.2025.100888","url":null,"abstract":"<div><div>Nickel oxide (NiO) has garnered significant attention as a high-performance electrode material for energy storage devices due to its excellent electrochemical activity and high theoretical capacity. In this study, well crystalline cubic structure NiO with diverse morphologies-three-dimensional spherical (NiO-3D-S), two-dimensional sheet-like structure (NiO-2D), and three-dimensional asymmetric structure (NiO-3D-A) were synthesized via a simple hydrothermal method. The surface morphology was effectively tailored using polyvinylpyrrolidone (PVP) in combination with various surfactants, including ethylene glycol (EG), cetyltrimethylammonium bromide (CTAB), and glycerol. Among the synthesized structures, the 2D sheet-like porous NiO (NiO-2D) exhibited superior electrochemical performance, achieving a high specific capacitance of 853.17 F g⁻¹ at a current density of 1 mA g⁻¹. It also demonstrated excellent cycling stability, retaining approximately 92 % of its initial capacitance after 3000 charge–discharge cycles. This enhanced performance is attributed to its unique porous architecture composed of ultra-fine grains self-assembled into uniform 2D sheets, which facilitate rapid ion diffusion and efficient charge transport. To evaluate practical applicability, an asymmetric two-electrode device was fabricated using NiO-2D as the positive electrode. The device delivered an energy density of 3.2 Wh kg⁻¹ and a power density of 360 W kg⁻¹, and successfully powered a red light-emitting diode (LED), demonstrating its potential for real-world applications. These findings underscore the promise of 2D sheet-like porous NiO as an advanced electrode material for high-performance and durable electrochemical energy storage systems.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100888"},"PeriodicalIF":3.8,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144115888","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

Thermophoresis and Brownian motion effects on the Casson ternary hybrid nanofluid over a horizontal plate containing gyrotactic microorganisms 热泳动和布朗运动对卡森三元杂化纳米流体在含回旋微生物水平板上的影响

IF 3.8

Chemical Physics Impact Pub Date : 2025-05-07 DOI: 10.1016/j.chphi.2025.100887

N. Ramya , M. Deivanayaki , Sakthivel Pandurengan

引用次数: 0

Novel Al(OH)3 and Ti/Fe@Al(OH)3 nano catalyzed of N-(3-((E)-3-(4-Adamant-1-yl)-phenyl) acryloyl) phenyl) quinoline-2-carboxamide Synthesis and its Molecular Docking, Quantum chemical Studies 新型Al(OH)3和Ti/Fe@Al(OH)3纳米催化N-（3-（（E)-3-(4-Adamant-1-yl)-苯基）丙烯酰）苯基）喹啉-2-羧酰胺合成及其分子对接、量子化学研究

IF 3.8

Chemical Physics Impact Pub Date : 2025-05-05 DOI: 10.1016/j.chphi.2025.100886

C. Thirumurugan , R. Thirumalaisamy , A. Lalitha , P. Vadivel , R․Selva Kumar , Kalandar Ameer , Ramalingam Karthik Raja , Shyam Kumar Rajaram , Ponmurugan Karuppiah

{"title":"Novel Al(OH)3 and Ti/Fe@Al(OH)3 nano catalyzed of N-(3-((E)-3-(4-Adamant-1-yl)-phenyl) acryloyl) phenyl) quinoline-2-carboxamide Synthesis and its Molecular Docking, Quantum chemical Studies","authors":"C. Thirumurugan , R. Thirumalaisamy , A. Lalitha , P. Vadivel , R․Selva Kumar , Kalandar Ameer , Ramalingam Karthik Raja , Shyam Kumar Rajaram , Ponmurugan Karuppiah","doi":"10.1016/j.chphi.2025.100886","DOIUrl":"10.1016/j.chphi.2025.100886","url":null,"abstract":"<div><div>Using a green chemical Al(OH)<sub>3</sub> and Ti/Fe@Al(OH)<sub>3</sub> nanocatalyzed method, a number of new adamantyl substituted quinoline based chalcone derivative 1 to chalcone derivative 4 (CD1 to CD4) have been synthesized. The synthesized CD1 to CD4 compounds were examined using a range of spectroscopic methods, such as mass spectrometry, elemental analysis, ¹H<img>NMR, ¹³C<img>NMR, and FT-IR. These chalcone derivatives (CD1 to CD4) had significant docking scores of -8.06 kcal/mol and -8.94 kcal/mol towards EGFR receptor with more binding affinity, primarily targeting the quinazoline inhibitor (PDB ID: 1M17, Lapitinib), according to in silico molecular docking studies. Measurements using fluorescence and UV–Vis spectroscopy also revealed significant variations in the emission and absorption spectra. Compounds CD1 to CD4 HOMO and LUMO values were found using cyclic voltammetry (CV) investigations, which also showed the charge transfer properties between intramolecular atoms (D-π-A). A maximal red shift was seen in the emission spectra at 500 nm, and this value increased with solvent polarity. Current study green chemical synthesis method utilized for synthesizing novel therapeutic anti-cancer chalcone derivatives for clinical pertinence.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100886"},"PeriodicalIF":3.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143947659","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

Green synthesis of rGO/MgO nanocomposite using Hylocereus polyrhizuspeel extract for antibacterial activity and photocatalytic dye degradation study 利用多根茎皮提取物合成绿色氧化石墨烯/氧化镁纳米复合材料，进行抗菌活性和光催化染料降解研究

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-30 DOI: 10.1016/j.chphi.2025.100885

Sunil Kumar Abel , Saranya Amirtharajan , Arulprakasajothi Mahalingam , Srimanickam Baskaran , Sakthivel Pandurengan

{"title":"Green synthesis of rGO/MgO nanocomposite using Hylocereus polyrhizuspeel extract for antibacterial activity and photocatalytic dye degradation study","authors":"Sunil Kumar Abel , Saranya Amirtharajan , Arulprakasajothi Mahalingam , Srimanickam Baskaran , Sakthivel Pandurengan","doi":"10.1016/j.chphi.2025.100885","DOIUrl":"10.1016/j.chphi.2025.100885","url":null,"abstract":"<div><div>Current study demonstrates the preparation of rGO/MgO nanocomposite using Hylocereus polyrhizus due to its functional benefits, and green strategy method. Scanning electron microscopy (SEM) with Energy Dispersive X-ray analysis and X-ray diffraction were used to find the presence of crystal structure and the elemental analysis. XRD results revealed the cubic structure of the synthesized nanocomposite. The average crystallite size was 36.16 nm. The SEM portrays the agglomerated granular structure has larger scale web like structure are highly interconnected with large voids. The presence of graphene, magnesium and oxygen were analysed from the EDAX elemental studies. The presence of MgO and rGO diffraction planes is well matches with JCPDS card no. 04-0829 and 75-2078. Mg–O–C stretching vibrations and C–O stretching vibrations reflected from FTIR studies confirms the presence of Mg and C in prepared composite. Furthermore, the photocatalytic capability of green synthesized rGO/MgO nanocomposite were employed to investigate the Methylene Blue degradation under solar irradiation when exposed to sunlight for 90 min, about 93 % of the dye was degraded. Disc diffusion method was performed to test the antibacterial activity against <em>S. aureus</em> and <em>Escherichia coli</em> at higher concentration of nanocomposite reveals that <em>S. aureus</em> showed maximum zone of inhibition. rGO/MgO material in terms of bioremediation of domestic and industrial waste by killing pathogenic bacteria, breaking down of colourant. The rGO/MgO nanocomposite's promise in environmental remediation is demonstrated by these results, especially in wastewater treatment for dye degradation and harmful bacteria suppression.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100885"},"PeriodicalIF":3.8,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922150","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

High-sensitivity detection of trace metal impurities in aluminum alloys using CF-LIBS and CC-LIBS for industrial and environmental applications CF-LIBS和CC-LIBS用于工业和环境应用的铝合金中痕量金属杂质的高灵敏度检测

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-24 DOI: 10.1016/j.chphi.2025.100884

Kiran Fatima , Nasar Ahmed , Rajwali Khan , Z.A. Umar , M.A. Baig , Khaled Althubeiti , Sattam Al Otaibi , Sherzod Abdullaev , Noureddine Elboughdiri

{"title":"High-sensitivity detection of trace metal impurities in aluminum alloys using CF-LIBS and CC-LIBS for industrial and environmental applications","authors":"Kiran Fatima , Nasar Ahmed , Rajwali Khan , Z.A. Umar , M.A. Baig , Khaled Althubeiti , Sattam Al Otaibi , Sherzod Abdullaev , Noureddine Elboughdiri","doi":"10.1016/j.chphi.2025.100884","DOIUrl":"10.1016/j.chphi.2025.100884","url":null,"abstract":"<div><div>In this work, trace elements in an aluminum matrix were quantitatively analyzed using Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS) and Conventional Calibration Laser-Induced Breakdown Spectroscopy (CC-LIBS). When aluminum was used as the basis metal, impurities such as Copper (Cu), Zinc (Zn), Tin (Sn), Silicon (Si), and Lead (Pb) were added, and their distinctive emission lines were examined by a Q-switched Nd: YAG laser operating at 532 nm with 5 ns pulse width. The Al 394.4 nm line was used to standardize the intensities of the Cu, Zn, Sn, Si, and Pb spectral lines to improve accuracy and reduce experimental errors. The limit of detection (LOD) for each element was determined using calibration curves; the computed values for Cu, Zn, Sn, Si, Al, and Pb were 3.27, 4.5, 2.98, 4.46, 0.03, and 3.06 ppm, respectively. Additionally, the LODs for Al, Si, and Sn demonstrated enhancement over earlier reported values, while those for Pb, Cu, and Zn stayed identical, confirming the accuracy of our findings. Plasma variables were assessed using the Boltzmann plot technique, which used aluminum spectral lines to determine plasma temperature. The great sensitivity and accuracy of CF-LIBS and CC-LIBS revealed in this work make them ideal for metallurgical and alloy inspection, which ensures the purity and composition of aluminum-based products in the automotive, aerospace, and construction sectors. Furthermore, these approaches offer a quick and dependable way for aluminum recycling and trash management, facilitating the effective sorting and purification of metallic garbage. The capacity to identify harmful trace metal pollutants, such as Pb and Zn, has important implications for environmental monitoring, especially in businesses that employ aluminum in food packaging, medical equipment, and consumer electronics.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100884"},"PeriodicalIF":3.8,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898818","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

Toxic gas whisperers: Sensing dynamics of pristine and alloyed Cu nanoclusters 有毒气体低语者：原始和合金铜纳米团簇的传感动力学

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-22 DOI: 10.1016/j.chphi.2025.100883

Kumbagiri Madhavi , Namrata A Tukadiya , Prafulla Jha , Riddhi Sainda , Shweta D. Dabhi , Venu H. Mankad

{"title":"Toxic gas whisperers: Sensing dynamics of pristine and alloyed Cu nanoclusters","authors":"Kumbagiri Madhavi , Namrata A Tukadiya , Prafulla Jha , Riddhi Sainda , Shweta D. Dabhi , Venu H. Mankad","doi":"10.1016/j.chphi.2025.100883","DOIUrl":"10.1016/j.chphi.2025.100883","url":null,"abstract":"<div><div>The present study investigates the interactions of environmental pollutants, such as CO, NO, and NH₃, with copper nanoclusters Cuₙ (<em>n</em> = 2–6), given their significant applications in catalysis and gas sensing. Among the nanoclusters studied, Cu₄ and Cu₆ demonstrated the strongest interactions with toxic gases and exhibited aromatic properties. When alloyed with silver (Ag) and nickel (Ni) to form bimetallic nanoclusters (Cu₃M and Cu₆M, where <em>M</em> = Ag, Ni), these clusters displayed enhanced catalytic activities for gas sensing, storage, and removal of harmful chemicals. The study calculated the structural stability, infrared activity, formation energy, and binding energies. Cu₄ and Cu₆ clusters substituted with Ag and Ni yields binding energy values of -2.82 eV, -3.26 eV, -3.32 eV, and -3.62 eV, respectively. These results indicate that interactions with transition metals (TMs) are energetically favorable. The calculated adsorption energies for CO gas on pristine Cu₄, Cu₃Ag, and Cu₃Ni were determined to be -0.60, -0.40, and -0.56 eV, respectively, indicating weak physisorption in the case of Cu₃Ag. Similarly, the adsorption energies for NO gas on Cu₄, Cu₆, and Cu₃Ag were -0.79, -0.21, and -0.77 eV, respectively. Furthermore, NH₃ adsorption on Cu₃Ag resulted in an energy of -1.11 eV, suggesting stronger interaction compared to other gases. The optimal adsorption energy obtained suggests promising recovery times for CO and NO on Cu₃Ni and Cu₆, measured at 2.20 and 2.70 s, respectively, underscoring their effectiveness in molecular sensing. For NH₃, the recovery time of 3.85 s highlights the potential of both doped and pristine clusters for efficient NH₃ removal from the environment. Additionally, the study analysed the density of states (DOS), revealing significant changes in molecular orbitals, particularly in the HOMO-LUMO gap, which further supports the enhanced reactivity of the nanoclusters.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100883"},"PeriodicalIF":3.8,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887990","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

Shape factor analysis of water and aluminium oxide nanoparticles in a porous medium with slip effects 具有滑移效应的多孔介质中水和氧化铝纳米颗粒的形状因子分析

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-21 DOI: 10.1016/j.chphi.2025.100882

Prasun Choudhary , K. Loganathan , Kavita Jat , Kalpna Sharma , S. Eswaramoorthi

{"title":"Shape factor analysis of water and aluminium oxide nanoparticles in a porous medium with slip effects","authors":"Prasun Choudhary , K. Loganathan , Kavita Jat , Kalpna Sharma , S. Eswaramoorthi","doi":"10.1016/j.chphi.2025.100882","DOIUrl":"10.1016/j.chphi.2025.100882","url":null,"abstract":"<div><div>This article explores the flow of a nanofluid over a flat plate subjected to a magnetic field. The chosen nanofluid comprises Al₂O₃ nanoparticles mixed in water as the base fluid. Various nanoparticle shapes are analyzed to inspect fluid flow and thermal transfer features. The impacts of first-order velocity slip and a porous medium are also examined. The governing flow equations are nonlinear partial differential equations that are reduced into ordinary differential equations by similarity transformations, and these reduced equations are subsequently solved numerically with the bvp4c MATLAB solver. The achieved numerical outcomes are approved using an analytical approach known as the optimal auxiliary functions method. The implications of critical parameters on flow profiles and physical quantities are illustrated via graphs and tables. Different velocity curves correspond to magnetic parameter <span><math><mi>M</mi></math></span> showing that fluid velocity <span><math><mrow><msup><mi>f</mi><mo>′</mo></msup><mrow><mo>(</mo><mi>η</mi><mo>)</mo></mrow></mrow></math></span> decreases, while higher inputs of nanoparticle volume fraction <span><math><msub><mstyle><mi>Φ</mi></mstyle><mn>1</mn></msub></math></span> enhance fluid velocity. Higher inputs of porosity parameter <span><math><mrow><mi>P</mi><mi>s</mi></mrow></math></span> lead towards improved temperature distribution <span><math><mrow><mi>θ</mi><mo>(</mo><mi>η</mi><mo>)</mo></mrow></math></span>, while enhanced inputs of velocity slip parameter <span><math><msub><mi>S</mi><mi>v</mi></msub></math></span> provide reduced temperature profiles. This study also suggests that heat transfer enhancement varies much more significantly than the drag reduction effect in the obtained data. Streamlines and isotherm lines are also illustrated to examine the velocity and temperature characteristics for designated nanoparticle shapes.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100882"},"PeriodicalIF":3.8,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865028","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

Analysis of the structure and Mulliken charges in Tm3+-doped bismuth silicate crystals 掺Tm3+硅酸铋晶体结构及Mulliken电荷分析

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-20 DOI: 10.1016/j.chphi.2025.100881

Xuefeng Xiao , Yan Zhang , Yunlong Zhang , Yan Huang , Jiayi Chen , Han Zhang , Jiashun Si , Shuaijie Liang , Qingyan Xu , Huan Zhang , Lingling Ma , Cui Yang , Xuefeng Zhang , Jiayue Xu , Tian Tian , Hui Shen

{"title":"Analysis of the structure and Mulliken charges in Tm3+-doped bismuth silicate crystals","authors":"Xuefeng Xiao , Yan Zhang , Yunlong Zhang , Yan Huang , Jiayi Chen , Han Zhang , Jiashun Si , Shuaijie Liang , Qingyan Xu , Huan Zhang , Lingling Ma , Cui Yang , Xuefeng Zhang , Jiayue Xu , Tian Tian , Hui Shen","doi":"10.1016/j.chphi.2025.100881","DOIUrl":"10.1016/j.chphi.2025.100881","url":null,"abstract":"<div><div>In this paper, based on the first principles of density functional theory, the Materials Studio software was used to calculate and analyze the crystal structure and Mulliken charge distribution of bismuth silicate (Bi₄Si₃O₁₂, BSO) crystal doped with Tm<sup>3+</sup> ions. The virtual crystal approximation approach was utilized to examine the impact of varying Tm<sup>3+</sup> doping concentrations (1/12, 1/6, and 1/3) on BSO crystals. Our findings from the structural and Mulliken charge assessments reveal that a higher Tm<sup>3+</sup> doping level can disrupt the symmetry of the crystal lattice. As the Tm<sup>3+</sup> doping ratio rises, the Tm-O bond length initially shortens and subsequently lengthens, displaying covalent bond traits. The Tm-O bond length reaches its minimum when the Tm<sup>3+</sup> doping ratio is set at 1/6. Concurrently, the Bi-O bond length follows a similar pattern of initial reduction followed by an increase. The Bi-O bond length is also minimized at a Tm<sup>3+</sup> doping ratio of 1/6. This suggests that a Tm<sup>3+</sup> doping ratio of 1/6 leads to an enhancement in the covalent character between Tm-O and Bi-O atomic pairs within the BSO crystal.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100881"},"PeriodicalIF":3.8,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860104","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

QbD-based green synthesis and multifaceted characterization of silver nanoparticles from Mitragyna parvifolia leaves extract with enhanced bio-efficacy 基于qbd的绿色合成及生物功效增强的小叶莲叶提取物银纳米颗粒的多方面表征

IF 3.8

Chemical Physics Impact Pub Date : 2025-04-18 DOI: 10.1016/j.chphi.2025.100880

Sukanya Pote, Preeti Salve

{"title":"QbD-based green synthesis and multifaceted characterization of silver nanoparticles from Mitragyna parvifolia leaves extract with enhanced bio-efficacy","authors":"Sukanya Pote, Preeti Salve","doi":"10.1016/j.chphi.2025.100880","DOIUrl":"10.1016/j.chphi.2025.100880","url":null,"abstract":"<div><div>The current study demonstrates a novel, eco-friendly synthesis of silver nanoparticles (AgNPs) using <em>Mitragyna parvifolia</em> leaf extract, guided by a Quality by Design (QbD) approach to enhance their anti-inflammatory efficacy. Distinct from conventional chemical methods, this green strategy leverages phytochemicals as natural reducing and stabilizing agents. A central composite design was employed to optimize reaction temperature and incubation time, enabling controlled nanoparticle synthesis with improved bio-efficacy. The synthesized AgNPs were characterized using spectroscopic and microscopic techniques, confirming the formation of spherical, crystalline nanoparticles with a zeta potential of –27.1 mV, indicative of high stability. UV–Vis spectroscopy revealed a surface plasmon resonance peak at 438 nm, while FTIR analysis indicated the presence of functional groups (–NH, –CH, –<em>C</em> = <em>C</em>), confirming successful capping by <em>M. parvifolia</em> phytoconstituents. XRD analysis confirmed a face-centered cubic structure with an average crystallite size of 13.05 nm, and TEM analysis revealed well-dispersed spherical particles ranging from 18 to 22 nm, with SAED patterns supporting their crystalline nature. The anti-inflammatory potential of the synthesized AgNPs was evaluated in vitro, showing significant COX-2 inhibition (IC<sub>50</sub> = 56.49 µg/ml), protein denaturation inhibition (73.89 % at 300 µg/ml), and membrane stabilization (85.94 % at 100 µg/ml), substantially outperforming the crude extract. These enhancements are attributed to the nanoscale size and effective phytochemical interaction. This study underscores the promise of QbD-optimized, plant-mediated AgNPs as potential anti-inflammatory agents and highlights their relevance in the development of sustainable nanomedicine.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100880"},"PeriodicalIF":3.8,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877535","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