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CdSe: Ag - An advanced semiconductor material for next-generation energy storage and photochemical applications CdSe: Ag -一种用于下一代储能和光化学应用的先进半导体材料
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1016/j.jics.2026.102478
Dalal N. Alhilfi , Kahtan A. Mohammed , Alaa S. Al-kabbi
Silver-doped CdSe (CdSe: Ag) thin films were prepared by chemical precipitation to investigate the effects of silver doping (1, 2, and 3 wt%) on their properties and potential applications in electrochemical systems. FESEM analysis revealed that a low Ag content (1%) resulted in uniform spherical nanoparticles with enhanced crystallinity, whereas higher Ag concentrations led to lattice distortions and particle agglomeration. XRD confirmed the coexistence of hexagonal and cubic phases, with slight modifications owing to Ag incorporation. The electrical conductivity increased from 8.62 × 10−5 to 2.43 × 10−4 S/cm as the Ag content increased, while the energy activation decreased. Electrochemical impedance spectroscopy revealed a decrease in resistance and an increase in capacitance under illumination, indicating enhanced charge-carrier dynamics. Galvanostatic charge-discharge measurements demonstrated a high specific capacitance of 413.22 F/g and an energy density of 36.64 Wh/kg at a low current density, with a stable performance observed at higher current densities. Photoelectrochemical tests showed an increase in photocurrent density from 1.61 to 3.08 mA/cm2 upon addition of Ag nanoparticles. These results confirm the potential of CdSe: Ag as a promising material for Photoelectrochemical cells and energy storage applications, underscoring the effective role of doping in improving performance.
采用化学沉淀法制备了银掺杂CdSe (CdSe: Ag)薄膜,研究了银掺杂(1、2和3 wt%)对薄膜性能的影响及其在电化学系统中的潜在应用。FESEM分析表明,低银含量(1%)可以得到均匀的球形纳米颗粒,结晶度增强,而高银浓度会导致晶格畸变和颗粒团聚。XRD证实了六方相和立方相的共存,由于银的掺入而有轻微的改变。随着Ag含量的增加,电导率从8.62 × 10−5 S/cm增加到2.43 × 10−4 S/cm,而能量活化度降低。电化学阻抗谱显示在光照下电阻减小,电容增大,表明电荷载流子动力学增强。恒流充放电测试表明,在低电流密度下,恒流充放电比电容高达413.22 F/g,能量密度为36.64 Wh/kg,在高电流密度下,恒流充放电性能稳定。光电化学测试表明,加入银纳米粒子后,光电流密度从1.61 mA/cm2增加到3.08 mA/cm2。这些结果证实了CdSe: Ag作为光化学电池和储能材料的潜力,强调了掺杂在提高性能方面的有效作用。
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引用次数: 0
Synthesis and development of polyaniline-manganese dioxide composite thick films for acute detection of ethanol gas 乙醇气体急性检测用聚苯胺-二氧化锰复合厚膜的合成与研制
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-02-04 DOI: 10.1016/j.jics.2026.102450
Manasi S. Gambhire , Shivaji R. Labhade , Sharad S. Gaikwad , Samin A. Shaikh
Polyaniline-Manganese Dioxide (PANI-MnO2) composite thick films with varying polyaniline concentrations (1-11 wt %) were successfully developed by the screen-printing technique for gas sensing of ethanol. The structural, morphological and optical properties of the prepared films were systematically investigated using XRD, FESEM, EDX, FTIR, and UV-Vis spectroscopy. XRD analysis confirmed the coexistence of tetragonal MnO2 (JCPDS No. 24-0735) and orthorhombic PANI (JCPDS No. 53-1891) while the crystallite size was found to vary between 22 and 23 nm reaching a minimum of 22.12 nm for the 3 wt % PANI–MnO2. FESEM images revealed a highly porous surface morphology with uniformly distributed nanoparticles and the specific surface area was highest (9.11 m2/g) for the 3 wt % sample. FTIR spectra verified the presence of Mn–O vibrations and characteristic PANI bands, confirming strong chemical interaction between PANI and MnO2. Optical studies showed a decrease in band gap energy from 3.07 eV (1 wt %) to 2.68 eV (3 wt %), improving charge carrier mobility and interfacial conductivity. 3 wt % PANI-MnO2 film showing the maximum response of 91.68% at 60 °C for 400 ppm ethanol, and recovery times of 11 s and 53 s, respectively. The developed PANI–MnO2 thick films sensor exhibited excellent selectivity, reproducibility and long-term stability indicate for low-temperature ethanol gas sensor.
采用丝网印刷技术成功制备了具有不同聚苯胺浓度(1 ~ 11wt %)的聚苯胺-二氧化锰(PANI-MnO2)复合厚膜。采用XRD、FESEM、EDX、FTIR和UV-Vis光谱对制备膜的结构、形貌和光学性能进行了系统的研究。XRD分析证实了正方MnO2 (JCPDS No. 24-0735)和正方晶PANI (JCPDS No. 53-1891)共存,晶粒尺寸在22 ~ 23 nm之间变化,3 wt %的PANI - MnO2最小为22.12 nm。FESEM图像显示,3 wt %样品具有高度多孔的表面形貌和均匀分布的纳米颗粒,比表面积最高(9.11 m2/g)。FTIR光谱验证了Mn-O振动和特征聚苯胺带的存在,证实了聚苯胺与MnO2之间存在强烈的化学相互作用。光学研究表明,带隙能量从3.07 eV (1 wt %)降低到2.68 eV (3 wt %),提高了载流子迁移率和界面导电性。在乙醇浓度为400 ppm的条件下,在60℃条件下,3 wt %的PANI-MnO2膜的最大响应率为91.68%,回收时间分别为11 s和53 s。所研制的聚苯胺-二氧化锰厚膜传感器具有良好的选择性、重复性和长期稳定性,可用于低温乙醇气体传感器。
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引用次数: 0
Synergistic multi-oxide-coated activated carbon catalysts and machine learning modeling for clean fuel production via advanced dibenzothiophene oxidation in an oscillatory reactor 振荡反应器中先进二苯并噻吩氧化清洁燃料生产的协同多氧化物涂层活性炭催化剂和机器学习建模
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-02-07 DOI: 10.1016/j.jics.2026.102469
Jasim I. Humadi , Wadood T. Mohammed
Synergistic multi-oxide coated functionalized activated carbonaceous (SMOC/FAC) catalyst synthesized by wet impregnation strategy and characterized utilizing FESEM, EDS, BET, XRD and TGA tests for advanced oxidation of dibenzothiophene in diesel fuel. Oxidative desulfurization experiments were conducted using a dibenzothiophene (DBT)-spiked model diesel fuel, prepared by dissolving DBT in ultra-low sulfur petroleum diesel, in a continuous central oscillatory flow reactor using hydrogen peroxide as oxidant under mild operational parameters. Oscillating reactor exhibited dramatic removal efficiency of DBT under continuous operation mode through packing catalyst particles in novel baskets instead the traditional central non-catalytic nuts. SMOC/FAC ensured fast oxidation owing to incorporation of high reactivity of magnetic and manganese active oxides; it also performed long desulfurization time with low deactivation under the remarkable impact of alumina coating film. Best oxidation rate confirmed at 95.98 % under 383 K, LHSV = 5 h−1, severe oscillation rate. Gradient Boosting Models (GBM) is proposed as efficient machine learning modeling strategy to simulate the obtained oxidation performance and predict high precision artificial intelligence-desulfurization model. GBM results exhibited excellent fitting accuracy of predicted and actual data under efficient key parameters (R2: 0.9998, MAE of 0.0138, and MSE of 0.0003.
采用湿浸渍策略合成了协同多氧化物包覆功能化活性炭(SMOC/FAC)催化剂,并利用FESEM、EDS、BET、XRD和TGA测试对柴油中二苯并噻吩的深度氧化进行了表征。以二苯并噻吩(DBT)加入超低硫石油柴油为原料,以双氧水为氧化剂,在温和的操作参数下,在连续中央振荡流反应器中进行氧化脱硫实验。振荡反应器在连续运行模式下,通过将催化剂颗粒填充在新型筐中,而不是传统的中心非催化螺母,表现出了显著的DBT脱除效率。由于加入了高反应性的磁性和锰活性氧化物,SMOC/FAC确保了快速氧化;在氧化铝涂层的影响下,脱硫时间长,失活率低。在383 K、LHSV = 5 h−1、振荡剧烈的条件下,最佳氧化率为95.98%。梯度提升模型(Gradient Boosting Models, GBM)是一种高效的机器学习建模策略,用于模拟得到的氧化性能和预测高精度的人工智能脱硫模型。在有效的关键参数下,GBM结果对预测数据和实际数据具有良好的拟合精度(R2: 0.9998, MAE为0.0138,MSE为0.0003)。
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引用次数: 0
Microwave assisted extraction of chlorogenic acid from sunflower seed meal using natural deep eutectic solvent based on COSMO-RS design 基于cosmos - rs设计的天然深共熔溶剂微波辅助萃取葵花籽粕中绿原酸
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-27 DOI: 10.1016/j.jics.2026.102446
Boshen Wang, Jihong Fu, Jun Tang, Haipeng Zhang, Junli Yu, Qichao Wu, Mengdie Li
Sunflower seed meal is a rich source of chlorogenic acid (CGA). In this work, the conductor-like screening model for realistic solvation (COSMO-RS) was used to assist in identifying the optimal natural deep eutectic solvents (NADESs) for the extraction of CGA from the sunflower seed meal. A total of 20 hydrogen bond donors (HBDs) and 10 hydrogen bond acceptors (HBAs) at different molar ratios resulting in 600 NADESs were screened via the COSMO-RS model by calculating the infinite dilution activity coefficients of CGA. The results showed that the solvent composed of choline chloride (ChCl) and urea at a molar ratio of 2:1 had the highest extraction rate of 25.92 mg g−1 for CGA. Additionally, ChCl-Urea (2:1) was chosen as the solvent in response surface methodology (RSM) to optimize the microwave assisted NADES extraction parameters, including liquid-solid ratio, microwave power, temperature and irradiation time, yielding a CGA content of 26.39 mg g−1. Furthermore, the antioxidant activities of the CGA extract using NADES were determined, which exhibited better DPPH, ABTS radicals scavenging abilities and ferric reducing antioxidant power (FRAP). Therefore, COSMO-RS and RSM can serve as effective techniques for screening NADESs and optimizing extraction processes, thereby expanding the application potential of NADES in extracting various bioactive compounds.
葵花籽粉是绿原酸(CGA)的丰富来源。本研究利用现实溶剂化的类导体筛选模型(cosmos - rs)来确定从葵花籽粕中提取CGA的最佳天然深共晶溶剂(NADESs)。通过COSMO-RS模型计算CGA的无限稀释活度系数,筛选出20个不同摩尔比的氢键供体(HBDs)和10个不同摩尔比的氢键受体(HBAs),共产生600个NADESs。结果表明,氯化胆碱与尿素摩尔比为2:1的溶剂对CGA的提取率最高,为25.92 mg g−1。采用响应面法(RSM),以ChCl-Urea(2:1)为溶剂,优化微波辅助NADES的提取参数,包括液固比、微波功率、温度和辐照时间,得到CGA含量为26.39 mg g−1。进一步测定了NADES提取物的抗氧化活性,表明其具有较好的DPPH、ABTS自由基清除能力和铁还原能力(FRAP)。因此,cosmos - rs和RSM可以作为筛选NADES和优化提取工艺的有效技术,从而扩大NADES在提取各种生物活性化合物方面的应用潜力。
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引用次数: 0
Defect control and performance optimization in Li+/Na+ Co-doped HTL-free Cs2AgBiBr6 double perovskite solar cells: Toward an efficient HTL-free architecture Li+/Na+共掺杂无html Cs2AgBiBr6双钙钛矿太阳能电池的缺陷控制和性能优化:迈向高效的无html架构
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.jics.2026.102453
E. Danladi , L.F. Koao , T.E. Motaung , S.V. Motloung
The Cs2AgBiBr6 double halide perovskite has catered for the problem related with lead toxicity and stability in perovskite solar cells (PSCs). Unfortunately, the unstable hole transport layer (HTL) such as spiro-OMeTAD, limited diffusion length of charge carriers, introduced interface defects, and inferior hole extraction capability results to poor performance. In this work, we presented, a simplified design and modeling of an improved stable HTL-free perovskite solar cells with Li+ and Na+ co-doped Cs2AgBiBr6-based absorber. Guided by solar capacitance simulation software (SCAPS-1D), this present work examined the performance of PSCs with both Cs2AgBiBr6 and Cs1·96Li0·01Na0·03AgBiBr6 absorbing material. The Cs2AgBiBr6-based device gave an open circuit voltage (Voc), short circuit current density (Jsc), fill factor (FF) and power conversion efficiency (PCE) of 0.31V, 9.19 mA/cm2, 68.15% and 1.97%, while the Cs1·96Li0·01Na0·03AgBiBr6 device presents 0.76 V, 10.53 mA/cm2, 70.54% and 5.63% as Voc, Jsc, FF and PCE. This shows that Cs1·96Li0·01Na0·03AgBiBr6-based device was more promising. The performance of the FTO/TiO2/Cs1·96Li0·01Na0·03AgBiBr6/C device was optimized by varying the ETL thickness and doping concentration, perovskite thickness and doping concentration, perovskite defect density and band gap to obtain 0.02 μm, 1017 cm−3, 1.4 μm, 1018 cm−3, and 1012 cm−2, and 1.45eV optimal values. The values were used to obtain an optimized value with the following performance; PCE = 24.33%, supported with FF of 87.34%, Jsc of 25.83 mA/cm2 and Voc of 1.08 V. The effect of series resistance, shunt resistance, work function of back contact, temperature and light intensity were evaluated. At higher work function (say WF = 5.9 eV for Se), a PCE of ∼30% was obtained with corresponding FF of ∼84 %, Jsc of ∼30 mA/cm2 and Voc of 1.2 V. By successfully controlling defect states and improving device performance through co-doping of the absorber layer, the results open the door for the design of an advanced, high-efficiency, and reasonably low PSC with HTL elimination.
Cs2AgBiBr6双卤化物钙钛矿解决了钙钛矿太阳能电池(PSCs)中的铅毒性和稳定性问题。不幸的是,螺旋- ometad等不稳定的空穴传输层(HTL)、载流子的扩散长度有限、引入了界面缺陷以及较差的空穴提取能力导致性能不佳。在这项工作中,我们提出了一种简化的设计和建模,改进了Li+和Na+共掺杂cs2agbibr6基吸收剂的稳定无html钙钛矿太阳能电池。在太阳能电容模拟软件SCAPS-1D的指导下,本文研究了Cs2AgBiBr6和Cs1·96Li0·01Na0·03AgBiBr6吸收材料的PSCs的性能。cs2agbibr6器件的开路电压(Voc)、短路电流密度(Jsc)、填充系数(FF)和功率转换效率(PCE)分别为0.31V、9.19 mA/cm2、68.15%和1.97%,而Cs1·96Li0·01Na0·03AgBiBr6器件的Voc、Jsc、FF和PCE分别为0.76 V、10.53 mA/cm2、70.54%和5.63%,表明Cs1·96Li0·01Na0·03AgBiBr6器件更有发展前景。通过改变ETL厚度和掺杂浓度、钙钛矿厚度和掺杂浓度、钙钛矿缺陷密度和带隙对FTO/TiO2/Cs1·96Li0·01Na0·03AgBiBr6/C器件的性能进行优化,得到0.02 μm、1017 cm−3、1.4 μm、1018 cm−3、1012 cm−2和1.45eV的最优值。使用这些值得到一个优化值,其性能如下:PCE = 24.33%, FF为87.34%,Jsc为25.83 mA/cm2, Voc为1.08 V。对串联电阻、分流电阻、背触点功函数、温度和光强的影响进行了评价。在较高的功函数下(例如WF = 5.9 eV), PCE为~ 30%,相应的FF为~ 84%,Jsc为~ 30 mA/cm2, Voc为1.2 V。通过共掺杂吸收层,成功地控制了缺陷状态,提高了器件性能,为设计先进、高效、合理低成本的PSC,消除了HTL打开了大门。
{"title":"Defect control and performance optimization in Li+/Na+ Co-doped HTL-free Cs2AgBiBr6 double perovskite solar cells: Toward an efficient HTL-free architecture","authors":"E. Danladi ,&nbsp;L.F. Koao ,&nbsp;T.E. Motaung ,&nbsp;S.V. Motloung","doi":"10.1016/j.jics.2026.102453","DOIUrl":"10.1016/j.jics.2026.102453","url":null,"abstract":"<div><div>The Cs<sub>2</sub>AgBiBr<sub>6</sub> double halide perovskite has catered for the problem related with lead toxicity and stability in perovskite solar cells (PSCs). Unfortunately, the unstable hole transport layer (HTL) such as spiro-OMeTAD, limited diffusion length of charge carriers, introduced interface defects, and inferior hole extraction capability results to poor performance. In this work, we presented, a simplified design and modeling of an improved stable HTL-free perovskite solar cells with Li<sup>+</sup> and Na<sup>+</sup> co-doped Cs<sub>2</sub>AgBiBr<sub>6</sub>-based absorber. Guided by solar capacitance simulation software (SCAPS-1D), this present work examined the performance of PSCs with both Cs<sub>2</sub>AgBiBr<sub>6</sub> and Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub> absorbing material. The Cs<sub>2</sub>AgBiBr<sub>6</sub>-based device gave an open circuit voltage (<em>V</em><sub>oc</sub>), short circuit current density (<em>J</em><sub>sc</sub>), fill factor (FF) and power conversion efficiency (PCE) of 0.31V, 9.19 mA/cm<sup>2</sup>, 68.15% and 1.97%, while the Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub> device presents 0.76 V, 10.53 mA/cm<sup>2</sup>, 70.54% and 5.63% as <em>V</em><sub>oc</sub>, <em>J</em><sub>sc</sub>, FF and PCE. This shows that Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub>-based device was more promising. The performance of the FTO/TiO<sub>2</sub>/Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub>/C device was optimized by varying the ETL thickness and doping concentration, perovskite thickness and doping concentration, perovskite defect density and band gap to obtain 0.02 μm, 10<sup>17</sup> cm<sup>−3</sup>, 1.4 μm, 10<sup>18</sup> cm<sup>−3</sup>, and 10<sup>12</sup> cm<sup>−2</sup>, and 1.45eV optimal values. The values were used to obtain an optimized value with the following performance; PCE = 24.33%, supported with FF of 87.34%, <em>J</em><sub>sc</sub> of 25.83 mA/cm<sup>2</sup> and <em>V</em><sub>oc</sub> of 1.08 V. The effect of series resistance, shunt resistance, work function of back contact, temperature and light intensity were evaluated. At higher work function (say <em>W</em><sub>F</sub> = 5.9 eV for Se), a PCE of ∼30% was obtained with corresponding FF of ∼84 %, <em>J</em><sub>sc</sub> of ∼30 mA/cm<sup>2</sup> and <em>V</em><sub>oc</sub> of 1.2 V. By successfully controlling defect states and improving device performance through co-doping of the absorber layer, the results open the door for the design of an advanced, high-efficiency, and reasonably low PSC with HTL elimination.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102453"},"PeriodicalIF":3.4,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stability and rheological investigations of three-phase O/W (oil-in-water) emulsion systems stabilized by cellulose micro/nano strands (CMNS) derived from sugarcane bagasse 甘蔗渣纤维素微纳米链(CMNS)稳定三相水包油乳液体系的稳定性和流变性研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jics.2026.102462
Swati A. Sonawane , Kalyani Kulkarni , Ravindra D. Kulkarni , Ujwal D. Patil , Tushar D. Deshpande
In the present study, cellulose micro/nano strands (CMNS) extracted from sugarcane bagasse were utilized to prepare biocompatible three-phase O/W (oil-in-water) emulsion systems wherein water was a continuous phase and coconut oil was a dispersed phase. Prepared emulsions were characterized for their physicochemical and rheological properties. The destabilization, creaming behavior, droplet size distribution and rheological properties of prepared three-phase emulsion systems (Pickering emulsions) were correlated with variations in coconut oil and CMNS concentrations. Emulsion with 5 % CMNS concentration displayed superior properties with the least creaming tendency and higher stability due to optimal formulation resulting in a strong interconnected network of cellulose nano-strands. Oil concentration worked synergistically with the amount of CMNS to fix the emulsion stability. The interconnected network of CMNS could be responsible for a mechanical steric barrier around the oil droplets, preventing their coalescence and stabilizing the emulsion phase over time. The shear-thinning behaviors of emulsions were confirmed with a flow behavior index (n) value below 1. The consistency index showed that for a low shear rate, the collision between particles formed aggregate in the system consequently raising the emulsion viscosity. For higher shear rates, the former aggregates break eventually decreasing the viscosity. The developed biocompatible O/W emulsions will have widespread applications in cosmetics and personal care, food packaging, and pharmaceuticals.
在本研究中,利用从蔗渣中提取的纤维素微纳米链(CMNS)制备生物相容性三相O/W(水包油)乳液体系,其中水为连续相,椰子油为分散相。对制备的乳液进行了理化性质和流变性能表征。制备的皮克林乳液体系的失稳、成乳行为、液滴大小分布和流变性能与椰子油和CMNS浓度的变化有关。当CMNS浓度为5%时,乳液表现出优异的性能,乳化倾向最小,稳定性更高,这是由于优化的配方导致了纤维素纳米链的强互联网络。油的浓度与CMNS的用量协同作用,以固定乳状液的稳定性。相互连接的CMNS网络可能负责油滴周围的机械位阻屏障,阻止它们聚并并随着时间的推移稳定乳液相。乳状液的剪切减薄行为在流动性能指数(n)小于1时得到证实。稠度指数表明,在低剪切速率下,颗粒之间的碰撞在体系中形成聚集体,从而提高乳液粘度。在较高的剪切速率下,原有的团聚体最终破裂,降低了粘度。所研制的生物相容性乳剂将在化妆品、个人护理、食品包装和药品等领域得到广泛应用。
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引用次数: 0
Influence of amino acid-based deep eutectic solvents on the micellization behavior of Triton X-100: A comparative spectroscopic study 氨基酸基深度共晶溶剂对Triton X-100胶束行为的影响:比较光谱研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-02-05 DOI: 10.1016/j.jics.2026.102463
Benvikram Barman , Manoj Kumar Banjare , Bhupendra Singh Banjare , Dolly Baghel
Deep eutectic solvents have found themselves as a flexible green media that has broad hydrogen-bond networks and adjustable polarity that can substantially alter interfacial and self-assembly events. This work contains a systematic study of the micellization principle of the non-ionic surfactant Triton X-100 in aqueous media under the influence of three novel amino acid-based deep eutectic solvents (DESs) consisting of choline chloride as a hydrogen-bond acceptor and various amino acids as hydrogen-bond donors. The multi-technique experimental method of surface tension measurements, fluorescence spectroscopy, UV-visible spectroscopy, viscosity, and Fourier-transform infrared (FTIR) spectroscopy was also used to investigate the effect of DES composition and concentration (5 and 10 wt%) on critical micelle concentration (CMC), interfacial parameters, micellar microenvironment, and molecular interactions. The surface tension measurements indicate progressive reduction of the CMC of Triton X-100 with the addition of DESs, which evidences the increased self-assembly of the surfactant. The intensity of CMC decrease is highly dependent on the type of amino acid, as this indicates variations in hydrogen-bonding aptitude, polarity, and solvation influences. Fluorescence analysis with pyrene as a probe indicates an unanimously varied ratio of I1/I3, which supports the alteration of micellar micropolarity and supports the existence of the more hydrophobic microenvironment in the presence of DES. Pre-micellar and micellar interactions are further supported by UV-visible spectroscopy, which gives concentration-dependent spectral changes, and viscosity measurements, which give information on structural and rheological changes induced by the incorporation of DES. The FTIR spectral analysis indicates that characteristic vibrational bands can be distinguishably shifted, indicating the presence of a particular interaction of hydrogen bonds between Triton X-100, water, and DES components, which is the basis of changes in the behavior of micellization.
The paper provides a comparative, mechanistic, and thermodynamic reason for how the amino acid structure influences hydrogen bonding, interfacial adsorption, micellar microenvironment, and spontaneity of aggregation. The results demonstrate their irrevocable correlations of structure and properties and demonstrate how amino acid-based DESs can be selected rationally to optimize the micellar systems to facilitate their further application in sustainable colloidal and formulation chemistry.
深共晶溶剂是一种灵活的绿色介质,具有广泛的氢键网络和可调节的极性,可以大大改变界面和自组装事件。本文系统研究了以氯化胆碱为氢键受体,多种氨基酸为氢键给体的三种新型氨基酸基深度共晶溶剂(DESs)对非离子表面活性剂Triton X-100在水介质中的胶束作用原理。采用表面张力测量、荧光光谱、紫外可见光谱、黏度和傅里叶变换红外光谱等多技术实验方法,研究了DES的组成和浓度(5%和10% wt%)对临界胶束浓度(CMC)、界面参数、胶束微环境和分子相互作用的影响。表面张力测量表明,随着DESs的加入,Triton X-100的CMC逐渐降低,这表明表面活性剂的自组装能力增强。CMC下降的强度高度依赖于氨基酸的类型,因为这表明了氢键倾向、极性和溶剂化影响的变化。以芘为探针的荧光分析表明,I1/I3的比值一致变化,这支持了胶束微极性的改变,并支持了DES存在时更疏水的微环境的存在。紫外可见光谱进一步支持了胶束前和胶束相互作用,该光谱给出了浓度依赖的光谱变化,以及粘度测量。FTIR光谱分析表明,Triton X-100、水和DES组分之间存在特殊的氢键相互作用,这是胶束化行为发生变化的基础。本文提供了氨基酸结构如何影响氢键、界面吸附、胶束微环境和聚集自发性的比较、机理和热力学原因。结果证明了它们的结构和性质之间不可逆转的相关性,并表明如何合理选择以氨基酸为基础的DESs来优化胶束体系,以促进其在可持续胶体和配方化学中的进一步应用。
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引用次数: 0
Sustainable valorization of chicken feather waste via integrated protic ionic liquid and microbial keratinase system 基于益生离子液体和微生物角化酶系统的鸡毛废弃物可持续增值研究
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-02-01 DOI: 10.1016/j.jics.2026.102465
Akash R. Kalbande, Ananda J. Jadhav
Chicken feathers represent a major agro-industrial waste stream, rich in recalcitrant β-keratin that resists conventional degradation. In this study, we developed a hybrid valorization strategy that integrates green ionic liquids (ILs) with microbial keratinase hydrolysis to efficiently convert feather waste into bioactive amino acids. A protic ionic liquid, monoethanolammonium formate ([MEA][HCOO]), was synthesized and characterized via FTIR and 1H NMR. Optimization studies demonstrated that waste feathers completely dissolved in [MEA][HCOO] IL at 130 °C within 2 h. The dissolved substrate was subsequently hydrolysed by keratinase produced by Bacillus licheniformis (MTCC 2617), which exhibited peak activity of 12.9 ± 0.3 U mL−1 after 48 h of cultivation at 37 °C and pH 7. The integrated IL–enzyme system significantly enhanced feather hydrolysis, releasing 151.1 μg/mL soluble protein (1.511 mg total), equivalent to 15.1 mg protein g−1 feather, as determined by the Bradford assay. Amino acid analysis further confirmed serine (24.0 mg g−1 feather (2.40 mg per 20 mL batch)) and glycine (8.09 mg g−1 feather (0.809 mg per 20 mL batch)) as dominant products, identified by RP–HPLC and ninhydrin assays, respectively. To maximize amino acid recovery, RSM was employed to optimize dissolution and hydrolysis parameters, identifying pH 8.0 and hydrolysis temperature of 35 °C. This integrated approach demonstrates a sustainable circular bioeconomy pathway, converting low-value poultry waste into high-value biomolecules for applications in agriculture, cosmetics, and biomedicine.
鸡毛是一种主要的农业工业废物流,富含抗常规降解的顽固β-角蛋白。在这项研究中,我们开发了一种混合增值策略,将绿色离子液体(ILs)与微生物角化酶水解结合起来,有效地将羽毛废物转化为生物活性氨基酸。合成了一种质子离子液体甲酸一乙醇铵([MEA][HCOO]),并通过FTIR和1H NMR对其进行了表征。优化研究表明,废羽毛在130℃条件下2 h内完全溶解于[MEA][HCOO] IL中。溶解后的底物随后被地衣芽孢杆菌(Bacillus licheniformis, MTCC 2617)产生的角化酶水解,在37℃和pH 7条件下培养48 h后,该酶的峰值活性为12.9±0.3 U mL−1。综合il -酶系统显著促进羽毛水解,释放151.1 μg/mL可溶性蛋白(总1.511 mg),相当于15.1 mg蛋白g−1根羽毛。氨基酸分析进一步证实丝氨酸(24.0 mg g - 1羽毛(2.40 mg / 20 mL批次))和甘氨酸(8.09 mg g - 1羽毛(0.809 mg / 20 mL批次))是主要产物,分别通过RP-HPLC和ninhydrin测定。为了最大限度地提高氨基酸的回收率,采用RSM优化溶解和水解参数,确定pH为8.0,水解温度为35℃。这种综合方法展示了可持续的循环生物经济途径,将低价值的家禽废物转化为高价值的生物分子,用于农业、化妆品和生物医学。
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引用次数: 0
Co-precipitation assisted uranium (VI) uptake by synthetic un-calcined hydroxyapatite: A comprehensive analysis of removal mechanism 合成未煅烧羟基磷灰石共沉淀辅助铀(VI)吸附:去除机理的综合分析
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jics.2026.102448
Aparna Edakkattillam, Sanjay Singh , Sanjeev Chaudhari
The widespread presence of uranium in aquifers around the globe is a major health concern. The present study reports the efficacy of synthetic un-calcined hydroxyapatite (HAP) for removing uranium (U(VI)) from groundwater. Experiments were conducted to evaluate U(VI) interaction with aqueous calcium and phosphate resulting from HAP's partial dissolution in water. It was observed that the presence of U(VI) in HAP suspension led to reduced concentrations of aqueous phosphate and calcium ions compared to when U(VI) was absent. Thus, indicating the formation of U(VI) insoluble complexes with aqueous calcium and phosphate. X-ray diffraction spectra of uranium-laden HAP also indicated the precipitation of autunite (Ca(UO2)2(PO4)2·xH2O) mineral. Subsequent investigations into the effect of HAP's calcination demonstrated that the uranium uptake capacity of HAP reduced by 20 % after calcination at 800 °C. The higher uptake capacity of un-calcined HAP is attributed to the removal mechanism, which involves both, U(VI) adsorption and the co-precipitation of U(VI) insoluble complexes. The kinetic study revealed that uranium uptake by un-calcined HAP was quick, around 97 % removal was obtained within 30 min of contact time. The maximum U(VI) uptake capacity of un-calcined HAP was 11.11 mg U/g HAP. The presence of bicarbonate and calcium significantly reduced the uranium uptake capacity due to the formation tertiary soluble complexes. The results suggest that un-calcined HAP is a more effective option for Uranium removal compared to energy-intensive calcined HAP.
铀在全球含水层中的广泛存在是一个主要的健康问题。本文报道了合成未煅烧羟基磷灰石(HAP)去除地下水中铀(U(VI))的效果。通过实验研究了羟基磷灰石在水中部分溶解后U(VI)与钙、磷酸盐的相互作用。结果表明,与不存在U(VI)时相比,U(VI)的存在导致HAP悬浮液中磷酸根和钙离子浓度降低。因此,表明U(VI)不溶性配合物的形成与钙和磷酸盐的水。载铀HAP的x射线衍射谱也显示出了钙(Ca(UO2)2(PO4)2·xH2O)矿物的析出。随后对HAP煅烧效果的研究表明,在800℃煅烧后,HAP的铀吸收能力降低了20%。未煅烧HAP的高吸收率归因于U(VI)吸附和U(VI)不溶性配合物共沉淀的去除机制。动力学研究表明,未煅烧的HAP对铀的吸附速度快,在30 min的接触时间内,铀的去除率达到97%左右。未煅烧HAP的最大U(VI)吸收率为11.11 mg U/g HAP。碳酸氢盐和钙的存在显著降低了铀的吸收能力,因为形成了三级可溶性络合物。结果表明,与能源密集型的煅烧HAP相比,未煅烧HAP是一种更有效的除铀选择。
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引用次数: 0
Simulation of electromagnetic wave–plasma interactions in ellipsoidal inductively coupled plasma 椭球体电感耦合等离子体中电磁波与等离子体相互作用的模拟
IF 3.4 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.jics.2026.102455
Yantong Wang , Muyessar Mamatzunun , Patiman A
Plasma stealth has emerged as a promising approach for electromagnetic wave attenuation due to its broadband absorption capability and structural flexibility. In this work, a comprehensive numerical evaluation of electromagnetic (EM) wave–plasma interaction in an ellipsoidally distributed inductively coupled plasma (ICP) is presented using COMSOL Multiphysics. Unlike conventional planar or cylindrical ICP configurations, the ellipsoidal geometry introduces spatially varying curvature that fundamentally alters electromagnetic field localization, plasma density evolution, and resistive loss behavior. The temporal evolution of key plasma parameters, including electric field/potential, electron density, electron temperature, and resistive loss, is examined under GHz-band incident electromagnetic waves. The results show that electron density enhances over time and concentrates near the center of the ellipsoidal plasma, leading to enhanced resistive loss and electromagnetic attenuation, while electron temperature gradually decreases. The strong electric field distribution within the ellipsoidal plasma produces pronounced wave distortion effects, which can result in apparent displacement of reflected electromagnetic signals. These findings demonstrate that ellipsoidal ICP geometry offers distinct electromagnetic interaction characteristics compared with conventional geometries and provides useful insights for the design and optimization of plasma-based stealth and electromagnetic attenuation systems.
等离子体隐身由于其宽带吸收能力和结构的灵活性而成为一种很有前途的电磁波衰减方法。本文利用COMSOL Multiphysics对椭球分布电感耦合等离子体(ICP)中的电磁波-等离子体相互作用进行了综合数值评价。与传统的平面或圆柱形ICP结构不同,椭球形几何结构引入了空间变化曲率,从根本上改变了电磁场定位、等离子体密度演变和电阻损耗行为。研究了在ghz波段入射电磁波下等离子体关键参数,包括电场/电位、电子密度、电子温度和电阻损耗的时间演变。结果表明:随着时间的推移,电子密度逐渐增大,并集中在椭球体中心附近,导致电阻损耗和电磁衰减增强,电子温度逐渐降低;椭球体内的强电场分布会产生明显的波畸变效应,从而导致反射电磁信号的明显位移。这些发现表明,与传统几何形状相比,椭球形ICP几何形状具有独特的电磁相互作用特性,并为基于等离子体的隐身和电磁衰减系统的设计和优化提供了有用的见解。
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引用次数: 0
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Journal of the Indian Chemical Society
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