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Experimental and theoretical electronic absorption spectra, optical, photoelectrical characterizations of 1, 2, 3-Thiazaphosphinine and 1, 2-Azaphospholes bearing a chromone ring: Solvatochromic effect and TD/DFT approach 含色素环的1,2,3 -噻氮膦和1,2 -噻氮膦孔的实验和理论电子吸收光谱、光学、光电表征:溶剂致变色效应和TD/DFT方法
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681089
S. Hussien, T. Ali
Geometry, global energetic and dipole moment of the studied structures 1-4 in the ground state are calculated using the DFT/B3LYB/6-311++G (d,p) level of theory.  It has been uncovered that compounds containing 1, 2, 3-thiazaphosphinine and 1, 2-azaphospholes bearing a Chromone ring structure displays noteworthy biological properties. The studied compounds 1-4 are non-planar, as indicated from the dihedral angles. Using frontier molecular orbital (FMO) analysis, various spectroscopic and quantum chemical parameters are evaluated. Besides, absorption energies, oscillator strength, and electronic transitions of 1, 2, 3-thiazaphosphinine and 1, 2-azaphospholes 1-4 molecules have been derived at TD-DFT/CAM-B3LYP/6-311++G (d, p) computations utilizing a PCM and measured in different solvents polar and non-polar experimentally in Uv-Vis spectra. The second-order perturbation interactions between donor and acceptor MOs of the ground state and the natural bond orbital (NBO) analysis show a localization and delocalization of electron density, intermolecular Charge Transfer CT character of n-π*, π-π* transitions. The calculated at the same level of theory which NLO, α, Δα and first order β were showed promising optical properties. For the understanding of reactivity points, the molecular electrostatic potential surfaces (MEPS) plots have been computed. All the calculations have been performed in the gas phase.
利用理论的DFT/B3LYB/6-311++G (d,p)水平计算了所研究结构1-4在基态的几何、全局能量和偶极矩。已经发现含有1,2,3 -噻氮膦和1,2 -噻氮膦孔的具有染色质环结构的化合物具有显著的生物学特性。所研究的化合物1-4是非平面的,如二面角所示。利用前沿分子轨道(FMO)分析,评估了各种光谱和量子化学参数。此外,利用PCM计算得到了1,2,3 -噻氮膦和1,2 -噻氮膦孔1-4分子的吸收能、振荡强度和电子跃迁,并在不同极性和非极性溶剂中进行了紫外可见光谱实验。基态给体和受体之间的二阶微扰相互作用和自然键轨道(NBO)分析显示了电子密度的局域化和离域化,n-π*、π-π*跃迁的分子间电荷转移的CT特征。NLO、α、Δα和一阶β在同一理论水平上的计算显示出良好的光学性质。为了了解反应点,计算了分子静电势面(MEPS)图。所有的计算都是在气相进行的。
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引用次数: 0
Structure, optical and photoluminescent properties of hybrid polymer nanocomposites on the base PP+CdS/ZnS PP+CdS/ZnS基杂化聚合物纳米复合材料的结构、光学和光致发光性能
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.680702
F. Hajiyeva, M. Ramazanov, H. Shirinova
In this work, PP+CdS/ZnS transparent hybrid polymer nanocomposites were synthesized and studied. The nanocomposites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive (EDS), and UV-spectroscopy analysis. It was found that the bandgap of PP+1%CdS/ZnS; PP+3%CdS/ZnS, and PP+5%CdS/ZnS; PP+10%CdS/ZnS nanocomposites is 5.2 eV, 5.1 eV, 4.6 eV, respectively. SEM analysis showed that the ZnS and CdS nanoparticles are evenly distributed in the polymer matrix. Furthermore, the average size of nanoparticles in the PP+3%CdS/ZnS, PP+5%CdS/ZnS nanocomposite is 40-54 nm, 29-56 nm, respectively. Photoluminescence properties of hybrid PP+CdS/ZnS nanocomposites were also investigated. It was established that introduction of ZnS and CdS semiconductor nanoparticles into the polypropylene matrix leads to expanding the region of the spectral sensitivity of hybrid nanocomposites. The photosensitivity of PP+CdS/ZnS nanocomposite films was also investigated.
本文合成并研究了PP+CdS/ZnS透明杂化聚合物纳米复合材料。采用x射线衍射(XRD)、扫描电镜(SEM)、能谱仪(EDS)和紫外光谱分析对复合材料进行了表征。结果表明:PP+1%CdS/ZnS的带隙增大;PP+3%CdS/ZnS, PP+5%CdS/ZnS;PP+10%CdS/ZnS纳米复合材料分别为5.2 eV、5.1 eV、4.6 eV。SEM分析表明,ZnS和CdS纳米颗粒均匀分布在聚合物基体中。PP+3%CdS/ZnS、PP+5%CdS/ZnS纳米复合材料的平均粒径分别为40 ~ 54 nm、29 ~ 56 nm。研究了杂化PP+CdS/ZnS纳米复合材料的光致发光性能。结果表明,在聚丙烯基体中引入ZnS和CdS半导体纳米粒子,使得杂化纳米复合材料的光谱灵敏度范围扩大。研究了PP+CdS/ZnS纳米复合膜的光敏性。
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引用次数: 0
Eco-friendly synthesis of surface grafted Carbon nanotubes from sugarcane cubes for development of prolonged release drug delivery platform 甘蔗块表面接枝碳纳米管的环保合成及其缓释给药平台的开发
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681077
R. Narkhede, Mahesh P. More, Swapnil Patil, P. Patil, A. G. Patil, Prashant K. Deshmukh
Surface grafting of nanocarriers could modulate their properties and characteristics. As carbon nanotubes synthesis is a very tricky process and requires high-end methods, hence the present investigation was aimed to develop an eco-friendly method for synthesis carbon nanotubes (CNTs) and subsequent surface grafting for enhanced drug delivery application. The present study elaborates two-step chemical modifications; wherein the first step is catalytic cleavage of natural precursor in the presence of ferrocene and the second step involve chemical grafting of Acyclovir (ACV) as a model drug to understand the drug release behaviour. The catalytic cleavage of sugarcane cubes (natural precursor) was carried out in a closed copper tube, which prevents oxidation and results in a conversion of tubular nanostructures to amorphous carbon. The covalent attachment of ACV on purified CNTs (fCNTs) was done using carbodiimide chemistry. The preliminary Uv-Vis absorbance spectra defined at 260 nm was arised due to π-π* stacking of aromatic C-C bonds. The Fourier Transforms Infrared Spectroscopy (FTIR) indicated the hydroxyl stretch at 3300 cm-1 while amide I bond formation was observed at 1672 cm-1. The XRD spectra confirmed successful synthesis of CNTs. The calculated average crystallite size (Scherer equation) of synthesized CNTs was found to be 42.84 and 44.45 nm; it was also in accordance with the morphological observation as confirmed simultaneously using SEM analysis. The covalently attached ACV was released up to 80% during 8h of in vitro drug release study. The surface grafting potential of CNTs was found to be promising compared to other nanomaterials.
纳米载体的表面接枝可以改变其性质和特性。由于碳纳米管的合成是一个非常棘手的过程,并且需要高端的方法,因此本研究旨在开发一种环保的碳纳米管(CNTs)合成和随后的表面接枝方法,以增强药物传递应用。本研究阐述了两步化学修饰;其中第一步是在二茂铁存在下催化裂解天然前体,第二步是将阿昔洛韦(ACV)作为模型药物进行化学接枝,以了解药物释放行为。甘蔗立方体(天然前驱体)的催化裂解在封闭的铜管中进行,防止氧化并导致管状纳米结构转化为无定形碳。ACV在纯化碳纳米管(fCNTs)上的共价附着采用碳二亚胺化学方法。由于芳香族C-C键的π-π*堆叠,在260 nm处产生了初步的紫外-可见吸收光谱。傅里叶变换红外光谱(FTIR)表明羟基在3300 cm-1处拉伸,酰胺I键在1672 cm-1处形成。XRD谱图证实了CNTs的成功合成。合成CNTs的平均晶粒尺寸(Scherer方程)分别为42.84 nm和44.45 nm;同时用扫描电镜(SEM)分析证实,这与形态学观察一致。体外释药试验8h,共价附着的ACV释药率高达80%。与其他纳米材料相比,CNTs的表面接枝潜力更大。
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引用次数: 0
A study of emerging semi-conductor devices for memory applications 新兴半导体存储器器件的研究
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.680122
Shaifali Ruhil, Vandana Khanna, Umesh Dutta, Neeraj Kumar Shukla
In this paper, a study of the existing SRAM (Static Random Access Memory) cell topologies using various FET (Field Effect Transistor) low power devices has been done. Various low power based SRAM cells have been reviewed on the basis of different topologies, technology nodes, and techniques implemented. The analysis of MOSFET(Metal Oxide Semiconductor Field Effect Transistor), FinFET( Fin Field Effect Transistor), CNTFET (Carbon Nano Tube Field Effect Transistor), and TFET (Tunnel Field Effect Transistor) based SRAM cells on the basis of parameters such as stability, leakage current, power dissipation, read/write noise margin, access time has been done. HSPICE, TCAD, Synopsys Taurus, and Cadence Virtuoso were some of the software used for simulation. The simulations were done from a few µms to 7nm technology nodes by different authors.
在本文中,研究了现有的SRAM(静态随机存取存储器)单元拓扑结构,使用各种场效应晶体管(FET)低功耗器件。基于不同的拓扑结构、技术节点和实现的技术,对各种低功耗SRAM单元进行了综述。分析了基于SRAM单元的MOSFET(金属氧化物半导体场效应晶体管)、FinFET(翅片场效应晶体管)、CNTFET(碳纳米管场效应晶体管)和TFET(隧道场效应晶体管)的稳定性、漏电流、功耗、读写噪声裕度、访问时间等参数。HSPICE、TCAD、Synopsys Taurus和Cadence Virtuoso是一些用于模拟的软件。不同的作者从几µms到7nm技术节点进行了模拟。
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引用次数: 3
A design of improved nanoscale U-Shaped TFET by energy band modification for high performance digital and analog/RF applications 一种用于高性能数字和模拟/射频应用的改进的纳米u型TFET的能带修饰设计
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681127
Melisa Ebrahimnia, Seyed Ali Sedigh Ziabari, Azadeh Kiani-sarkaleh
In this study, a new nanoscale U-shaped tunnel field-effect transistor (US TFET) structure is proposed. In order to start the design process, the drain region of the conventional US TFET is divided into two distinct parts with N+ and N- doping which is named the drain doping engineering (DDE). It is considered that the tunneling barrier at the channel-drain junction is increased and consequently the ambipolar current is decreased considerably. To continue the design process, the dual work function (DW) in the DDE-US TFET has been used to ameliorate the DC characteristics and the cutoff frequency. Moreover, we have used the metal implant (MI) in the source-side oxide of DDE-DW-US TFET as a technique to improve the device for high-frequency and low-power applications. The 2-D TCAD simulation results not only indicate the superiority of the proposed structure (DDE-DW-MI-US TFET) compared to others in terms of the high-frequency performance, but also illustrate the improvement of the DC parameters. Finally, the proposed device has been investigated by increasing the length of implanted metal in the source-side oxide. It is found that selecting the appropriate length contributes significantly to improve high-frequency performance.
本研究提出了一种新型的纳米u型隧道场效应晶体管(US TFET)结构。为了启动设计过程,将传统的US TFET的漏极区分为N+和N-掺杂两个不同的部分,称为漏极掺杂工程(DDE)。考虑到通道-漏极结处的隧穿势垒增加,双极电流显著减小。为了继续设计过程,在DDE-US TFET中使用了双功函数(DW)来改善直流特性和截止频率。此外,我们在DDE-DW-US TFET的源侧氧化物中使用金属植入物(MI)作为改进器件高频和低功耗应用的技术。二维TCAD仿真结果不仅表明了所提出的结构(DDE-DW-MI-US TFET)在高频性能方面的优越性,而且说明了直流参数的改进。最后,通过增加源侧氧化物中植入金属的长度来研究该装置。研究发现,选择合适的长度对提高高频性能有显著作用。
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引用次数: 0
Investigating thermo-physical properties and thermal performance of Al2O3 and CuO nanoparticles in Water and Ethylene Glycol based fluids 研究了Al2O3和CuO纳米颗粒在水和乙二醇基流体中的热物理性质和热性能
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681560
Bahman Rahmatinejad, M. Abbasgholipour, B. M. Alasti
The thermophysical properties and thermal performance of water- and ethylene-glycol-based nanofluids containing  and CuO nanoparticles were examined. Nanofluids were prepared at four concentrations (1- 4 vol%) using an electric mixer and magnetic stirrer, and the thermophysical properties were measured. Surfactants were used to improve stability. The transient hot-wire method (KD2-Pro device), Dynamic Light Scattering (DLS), and Ostwald viscometer (ASTM D445-06) were used to measure the resulting thermal conductivity coefficient, nanoparticle diameter, and nanofluid viscosity, respectively. The experiments were carried out in the 20 to 50 °C temperature range. Adding 1 wt% sodium dodecyl sulfate (SDS) to the CuO–water and the same amount of sodium dodecylbenzene sulfonate (SDBS) to the –water nanofluid were found to stabilize them for 20 and 22 days, respectively. Increasing the nanoparticle volume fraction, raising the temperature, and reducing nanoparticle diameter were found to increase the thermal conductivity coefficient. The density also increases with the nanoparticle volume fraction in the base fluid increasing. Moreover, at the same volume fraction, the CuO–water nanofluid had a higher density than –water. Better base fluid thermal properties amplify the effect on the nanofluid's thermal conductivity coefficient. The actual thermal conductivity coefficient was determined by comparing model predictions of the coefficient.
研究了含CuO纳米颗粒的水基和乙二醇基纳米流体的热物理性质和热性能。采用电动搅拌器和磁力搅拌器制备了四种浓度(1- 4 vol%)的纳米流体,并测量了其热物理性质。表面活性剂用于提高稳定性。采用瞬态热线法(KD2-Pro装置)、动态光散射法(DLS)和Ostwald粘度计(ASTM D445-06)分别测量得到的导热系数、纳米颗粒直径和纳米流体粘度。实验在20 ~ 50℃的温度范围内进行。在CuO-water中加入1wt %十二烷基硫酸钠(SDS),在CuO-water纳米流体中加入同样数量的十二烷基苯磺酸钠(SDBS),可以分别稳定20天和22天。增加纳米颗粒体积分数、提高温度和减小纳米颗粒直径均可提高导热系数。随着基液中纳米颗粒体积分数的增加,纳米颗粒的密度也随之增加。在相同体积分数下,cuo -水纳米流体的密度高于-水纳米流体。较好的基液热性能放大了纳米流体导热系数的影响。实际的导热系数是通过比较模型预测的系数来确定的。
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引用次数: 2
Design, simulation and analysis of high-K gate dielectric FinField effect transistor 高k栅介电FinField效应晶体管的设计、仿真与分析
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681554
M. Aditya, K. Rao, K. Sravani, K. Guha
The devices with additional gates like Fin Field effect transistor (FinFET) provide higher control on subthreshold parameters and are favorable for Ultra large-scale integration. Also, these structures provide high control on current through the channel and with minimum leakage. In this paper we designed a FinFET with high-K gate dielectric material i.e Hafnium oxide as gate oxide. A comparison of similar sized transistor with Air and Silicon dioxide as gate material is performed. The comparison is mainly in terms of performance parameters like transconductance, subthreshold slope, and drain current characteristics. There is an increase in ON current on using a high-K dielectric material and subsequently an improvement in other parameters like subthreshold slope, transconductance and intrinsic gain.
带有Fin场效应晶体管(FinFET)等附加栅极的器件提供了对亚阈值参数的更高控制,有利于超大规模集成。此外,这些结构提供高控制电流通过通道和最小的泄漏。本文设计了一种以高k栅极介质材料氧化铪作为栅极氧化物的FinFET。用空气和二氧化硅作为栅极材料,对相同尺寸的晶体管进行了比较。比较主要是在跨导、亚阈值斜率和漏极电流特性等性能参数方面。使用高k介电材料时,导通电流增加,随后其他参数如阈下斜率、跨导和本征增益也有所改善。
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引用次数: 8
Thermal performance of natural circulation loop filled with Al2O3/Water nanofluid Al2O3/Water纳米流体填充自然循环回路的热性能
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681099
Praveena Devi Nagireddy, S. R. Chalamalasetti, Kiran Kupireddi
Natural Circulation Loop (NCL) which is also called as a thermosyphon system is the heat transfer loop which uses no pump or external device to drive the loop fluid. In the present paper, a comparative study on thermal characteristics of two loop fluids viz. water and Al2O3/water nanofluid is made. Experiments are conducted on in-house designed test rig. Thermo-hydraulic behaviour of loop fluid is presented. Two parameters such as heat input, nanofluid concentration are varied in order to study their individual and combined effects. It is concluded that Al2O3/water nanofluid as loop fluid results in higher mass flow rates as compared to the water. Different derived quantities such as Nusselt number and Grashof number are calculated. Quantitative comparison is made between water and Al2O3/water nanofluid. Time to reach steady state is reduced by 22 % using Al2O3/water nanofluid as loop fluid when compared with water. Mass flow rate and Grashof number of the Al2O3/water nanofluid based NCL are enhanced by 6.75% and 26% respectively, when compared with water-based NCL at 1000W heat input. At the heater, the temperature gradient is reduced by 30.2% due to the improved thermal and transport properties of Al2O3/water nanofluid when compared with water at 1000 W heat input. As particle concentration increases from 1% to 5%, Nusselt number increases from 10.1 to 20.1, for the heat input of 1000W.
自然循环回路(NCL)也被称为热虹吸系统,是不使用泵或外部装置驱动回路流体的传热回路。本文对水和Al2O3/水纳米流体两种循环流体的热特性进行了对比研究。在自行设计的实验台上进行了实验。给出了回路流体的热水力特性。改变热输入、纳米流体浓度等两个参数,研究其单独和联合效应。综上所述,Al2O3/水纳米流体作为循环流体,其质量流率高于水。计算了不同的派生量,如努塞尔数和格拉绍夫数。对水和Al2O3/水纳米流体进行了定量比较。与水相比,使用氧化铝/水纳米流体作为循环流体,达到稳定状态的时间减少了22%。在1000W热输入下,Al2O3/水纳米流体基NCL的质量流率和Grashof数分别比水基NCL提高了6.75%和26%。在加热器处,由于Al2O3/水纳米流体的热学和输运性能比1000 W热输入的水更好,温度梯度降低了30.2%。当颗粒浓度从1%增加到5%时,当热输入为1000W时,努塞尔数从10.1增加到20.1。
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引用次数: 0
Licorice-garlic-fennel essential oils composite nanoparticles as natural food preservatives 甘草-大蒜-茴香精油复合纳米颗粒作为天然食品防腐剂
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.681068
M. Zahedi, B. M. Maher, N. Anarjan, H. Hamishehkar
Natural bioactive compounds, such as essential oils, with antimicrobial or antioxidant activity, have received considerable attention recently, especially with rising concerns on the safety of synthetic food preservatives. However, due to their low water solubility and structural stability, their incorporation into water-based food formulations are limited, as is the other lipophilic functional compounds. Moreover, in order to investigate the possible synergistic effects of the most combinations of the essential oils, the aim of this study was to prepare water-dispersible licorice-garlic-fennel essential oil nanoparticles using nanoemulsion systems through a low-energy self-emulsifying technique. The effects of essential oil proportions in the oil phase on nanoemulsion characteristics were also evaluated using a simplex-centroid mixture design, and various empirical models were developed to predict changes in the obtained nanoemulsion characteristics. Finally, multi-goal optimization was applied to obtain the most desired composite nanoemulsions with the least mean particle size, polydispersity index, turbidity, and the greatest antioxidant and bactericidal activity. Based on this optimization analysis, the most desired product was obtained using 39% licorice, 40% garlic, and 21% fennel essential oil as oil phase. The results also confirmed the synergistic effects of selected essential oils towards one another, which the nanoemulsions with two- and three- components oil phase exhibiting higher antibacterial and antioxidant activity than those with a single-component oil phase. The prepared nanoparticles had reasonable physical stability at 5 ± 1 °C during 40 days of storage.
具有抗菌或抗氧化活性的天然生物活性化合物,如精油,最近受到了相当大的关注,特别是对合成食品防腐剂安全性的关注日益增加。然而,由于它们的低水溶性和结构稳定性,它们在水基食品配方中的掺入受到限制,其他亲脂功能化合物也是如此。此外,为了研究大多数精油组合可能的协同效应,本研究的目的是利用纳米乳液体系通过低能自乳化技术制备水分散的甘草-大蒜-茴香精油纳米颗粒。采用单质心混合设计,评估了油相中精油比例对纳米乳特性的影响,并建立了各种经验模型来预测所获得的纳米乳特性的变化。最后,通过多目标优化得到平均粒径最小、多分散性指数最小、浊度最小、抗氧化和杀菌活性最大的复合纳米乳。通过优化分析,以39%甘草、40%大蒜、21%茴香精油为油相,得到最理想的产品。结果还证实了所选精油之间的协同作用,两组分油相和三组分油相的纳米乳液比单组分油相的纳米乳液表现出更高的抗菌和抗氧化活性。制备的纳米颗粒在5±1℃条件下保存40天,具有合理的物理稳定性。
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引用次数: 1
Green synthesis of Silver and Silver-gold core-shell nanoparticles using Pineapple leaf extract (Ananas comosus) and study of their antibacterial properties 用菠萝叶提取物绿色合成银和银金核壳纳米颗粒及其抗菌性能研究
IF 1.5 Pub Date : 2021-07-01 DOI: 10.22034/IJND.2021.680518
D. Acharya, B. Mohanta, P. Pandey
The advantage of using plants and plant metabolites over expansive and toxic chemical methods for nanoparticles (NPs) synthesis has fascinated researchers to investigate the mechanisms of bio-reduction of metal ion for various biomedical applications. Herein, pineapple leaf extract was used for the synthesis of silver (Ag) and bimetallic silver-gold (Ag-Au) core-shell NPs which offered an economic and sustainable synthetic route compared to toxic chemical method. The synthesized NPs were further subjected to UV-visible spectrometer to investigate the formation kinetics at specific time intervals. To reveal the presence of various functional groups in the leaf extract responsible for bio-reduction of Ag ions and subsequent formation of core-shell nanostructure, FTIR study was conducted. Morphology and structural properties were examined by TEM and XRD. Further, disc diffusion test was employed to reveal the antibacterial effectiveness of NPs against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria. The study revealed that both Ag and Ag-Au NPs are good antibacterial candidates and bacterial sensitivity to NPs was found to vary depending on bacterial species.
利用植物和植物代谢物合成纳米颗粒(NPs)的优势,吸引了研究人员对各种生物医学应用中金属离子生物还原的机制进行研究。本研究利用菠萝叶提取物合成银(Ag)和银金双金属(Ag- au)核壳NPs,与有毒化学方法相比,提供了一条经济、可持续的合成途径。合成的NPs在特定时间间隔内的形成动力学进行了紫外可见谱分析。为了揭示叶提取物中存在的各种官能团,这些官能团负责银离子的生物还原并随后形成核壳纳米结构,我们进行了FTIR研究。用TEM和XRD对其形貌和结构性能进行了表征。此外,采用圆盘扩散试验研究了NPs对革兰氏阳性(金黄色葡萄球菌)和革兰氏阴性(大肠杆菌)的抑菌效果。研究发现Ag和Ag- au NPs都是很好的抗菌候选物,细菌对NPs的敏感性因细菌种类而异。
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引用次数: 4
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international journal of nano dimension
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