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Comparison of TiO2 nanoparticles impact with TiO2/CNTs nano hybrid on microbial community of staphylococcus TiO2纳米颗粒与TiO2/CNTs纳米复合物对葡萄球菌微生物群落影响的比较
Pub Date : 2019-04-16 DOI: 10.26655/AJNANOMAT.2019.4.5
G. Allaedini, S. M. Tasirin
There has been an increase in carbon nanotubes (CNT) uses in different industries; however, its impact on the environment is still under a vast consideration and investigation. In this research study, the soil with staphylococcus has been exposed to pure TiO2 and TiO2/CNT. Also, the community of the staphylococcus was studied using the scanning electron microscopy (SEM). It has been observed that, the microbial community has decreased tremendously after the titanium oxide was doped with CNT. This study suggests that, the TiO2/CNTs can be a much more effective potential material for altering the microbial community compared with the TiO2. These findings could be useful for creating antibacterial agents for the soil using TiO2/CNTs nano hubrid .Further investigation of the TiO2/CNTs mechanism could prove useful for industrial uses or altering microbial communities.
碳纳米管(CNT)在不同行业的应用有所增加;然而,它对环境的影响仍在广泛的考虑和调查中。在本研究中,将含有葡萄球菌的土壤暴露于纯TiO2和TiO2/CNT中。并利用扫描电镜对葡萄球菌群落进行了研究。研究发现,碳纳米管掺杂氧化钛后,氧化钛的微生物群落明显减少。该研究表明,与TiO2相比,TiO2/CNTs可以成为一种更有效的改变微生物群落的潜在材料。这些发现可能有助于利用TiO2/CNTs纳米杂化物制备土壤抗菌剂。对TiO2/CNTs机理的进一步研究可能有助于工业应用或改变微生物群落。
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引用次数: 0
Highly effectual synthesis of 4H-pyrano [2, 3-c] pyrazoles using N1, N1, N2, N2-tetramethyl-N1, N2-bis (sulfo) ethane-1, 2-diaminium trifluoroacetate as a dual-functional catalyst 以N1, N1, N2, N2-四甲基-N1, N2-双(磺)乙烷- 1,2 -三氟乙酸二胺为双功能催化剂高效合成4h -吡喃[2,3 -c]吡唑
Pub Date : 2019-04-09 DOI: 10.26655/AJNANOMAT.2019.4.4
Mostafa Karami, Maryam Maghsoudi, Maria Merajoddin, A. Zare
In this research study, highly effective preparation of 4H-pyrano[2, 3-c]pyrazoles was discussed. The one-pot multi-component reaction between the malononitrile, arylaldehydes and 3-methyl-1-phenyl-1H-pyrazol-5 (4H)-one using protic acidic ionic liquid N1, N1, N2, N2-tetramethyl-N1, N2-bis (sulfo) ethane-1, 2-diaminium trifluoroacetate ([TMBSED][TFA]2) under the mild and solvent-free conditions have furnished the title compounds with high yields in short times. Additionally, an attractive mechanism considering dual-functionality of the catalyst was proposed ([TMBSED][TFA]2 with acidic and basic sites).
本研究探讨了高效制备4h -吡喃[2,3 -c]吡唑的方法。丙二腈、芳基醛和3-甲基-1-苯基- 1h -吡唑-5 (4H)- 1在温和、无溶剂的条件下,以质子酸性离子液体N1、N1、N2、N2-四甲基-N1、N2-双(磺)乙烷- 1,2 -三氟乙酸二胺([TMBSED][TFA]2)为原料,进行了一锅多组分反应,在短时间内获得了较高的收率。此外,考虑到催化剂的双重功能,提出了一个有吸引力的机制([TMBSED][TFA]2具有酸性和碱性位点)。
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引用次数: 2
A DFT, NBO, RDG, MEP and thermodynamic sudy of acrolein interaction with pristine and Ga‒doped boron phosphide nanotube 丙烯醛与原生和掺ga磷化硼纳米管相互作用的DFT、NBO、RDG、MEP和热力学研究
Pub Date : 2019-04-09 DOI: 10.26655/AJNANOMAT.2019.4.3
M. Sameti
In this research, the interaction of the acrolein (Acr) molecule with the pristine and Ga‒doped boron phosphide nanotube (BPNTs) was investigated using the density functional theory (DFT). The electrical, quantum, thermodynamic properties, natural bond orbital (NBO), reduced density gradient (RDG), atom in molecule (AIM), and molecular electrostatic potential (MEP) for all studied models were calculated and analyzed. The results revealed that the thermodynamic parameters (∆H and ∆G) values for all studied models were negative and favorable in thermodynamic point of view. By doping the Ga atom and adsorbing Acr molecule, the HOMO, LUMO, gap energy, conductivity, and optical properties of the nanotube altered slightly from the original values. Whereas, the global hardness and chemical potential of the Ga-doped increased slightly from pristine state and the activity of system decreased slightly from the original state. In addition, the AIM parameters and RDG results showed that the covalent bonding interaction between Acr and BPNTs was so strong.
本研究利用密度泛函理论(DFT)研究了丙烯醛(Acr)分子与原始和掺ga的磷化硼纳米管(BPNTs)的相互作用。计算并分析了所有模型的电学、量子、热力学性质、自然键轨道(NBO)、还原密度梯度(RDG)、原子与分子(AIM)和分子静电势(MEP)。结果表明,各模型的热力学参数(∆H和∆G)值均为负值,从热力学角度看是有利的。通过掺杂Ga原子和吸附Acr分子,纳米管的HOMO、LUMO、间隙能、电导率和光学性能与原始值相比略有改变。而体系整体硬度和化学势较原始状态略有上升,体系活度较原始状态略有下降。此外,AIM参数和RDG结果表明,Acr与bpnt之间的共价键相互作用非常强。
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引用次数: 1
Synthesis, analysis and application of noble metal nanoparticles by Cucurbita pepo using different solvents 不同溶剂下葫芦皮贵金属纳米颗粒的合成、分析及应用
Pub Date : 2019-04-09 DOI: 10.26655/AJNANOMAT.2019.4.2
Prabhpreet Kaur, R. Komal
The synthesis of metal nanoparticles through biological approach is an important aspect of biotechnology. The biological method provides a feasible alternative as compared to chemical and physical methods. The synthesis of metal nanoparticles using plant derived materials is an effective method for the production of metal nanoparticles.This work reports the rapid biosynthesis of silver nanoparticles from plant extract Cucurbita pepo. The plant extract was prepared using two different solvents i.e. double distilled water and 70% ethanol by hot percolation method. The sample was subjected to different reaction conditions i.e. pH (3, 7, 9) and temperature (0 °C, r.t., 37 °C, 60 °C, 100°C). The preliminary characterization of nanoparticles was done by using UV-VIS spectrophotometer at different wavelengths on the basis of color of the sample obtained from different solvents. Confirmatory analysis of the synthesized silver nanoparticles were done by energy dispersion X-ray spectrometer (EDS) and transmission electron microscopy (TEM). These biosynthesized silver nanoparticles were used in the evaluation of antimicrobial activity that was done by Minimum Inhibitory concentration method against different pathogenic strains. The detection, analysis of presence of metal ions in the synthesized silver nanoparticles by using UV-VIS spectrophotometer at 630 nm.
利用生物学方法合成金属纳米颗粒是生物技术的一个重要方面。与化学和物理方法相比,生物方法提供了一种可行的替代方法。利用植物源性材料合成金属纳米颗粒是制备金属纳米颗粒的有效方法。本文报道了从植物提取物葫芦中快速合成纳米银的方法。采用双重蒸馏水和70%乙醇两种不同的溶剂热渗法制备植物提取物。将样品置于不同的反应条件下,即pH(3、7、9)和温度(0°C、室温、37°C、60°C、100°C)。根据不同溶剂样品的颜色,采用不同波长的紫外-可见分光光度计对纳米颗粒进行初步表征。利用能量色散x射线能谱仪(EDS)和透射电子显微镜(TEM)对合成的纳米银进行了验证性分析。采用最小抑菌浓度法对不同病原菌进行抑菌活性评价。采用630 nm紫外可见分光光度计对合成银纳米粒子中金属离子的存在进行检测、分析。
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引用次数: 1
Highly effective synthesis of 3, 4-dihydropyrimidin-2 (1H)-ones using pyridinium-N-sulfonic acid bisulfate as a dual-functional catalyst 以硫酸吡啶- n-磺酸为双功能催化剂高效合成3,4 -二氢嘧啶-2 (1H)- 1
Pub Date : 2019-04-08 DOI: 10.26655/AJNANOMAT.2019.4.1
Sima Dehghani, Maria Merajoddin, A. Zare
Acidic ionic liquid pyridinium-N-sulfonic acid bisulfate ([Py-SO3H][HSO4]) has effectively catalyzed the production of 3, 4-dihydropyrimidin-2 (1H)-ones via the condensation reaction of the arylaldehydes with β-ketoesters and urea under solvent-free conditions. Due to the dual-functionality of [Py-SO3H][HSO4] (bearing acidic and basic sites), it was highly effective and general catalyst for the reaction. Additionally, an attractive mechanism for the dual-functionality of the catalyst was proposed.
酸性离子液体吡啶- n-磺酸亚硫酸酯([Py-SO3H][HSO4])在无溶剂条件下,通过芳醛与β-酮酯和尿素的缩合反应,有效地催化了3,4 -二氢嘧啶-2 (1H)- 1的合成。由于[Py-SO3H][HSO4]具有双官能团(含酸性和碱性位点),是反应的高效、通用催化剂。此外,还提出了催化剂具有双重功能的机理。
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引用次数: 1
Synthesis and Characterization of Noble Metal Nanowires by Electrodeposition in Porous Anodic Alumina Membranes 多孔阳极氧化铝膜电沉积贵金属纳米线的合成与表征
Pub Date : 2019-04-01 DOI: 10.26655/AJNANOMAT.2019.3.1
Ahmed Alya'a Jabbar
Electrochemical deposition is a very efficient method for producing many types of modern materials. This method is not expensive and does not have a limit for sample size. In our work, the preparation of Ag and Au nanowires is presented. The obtained nanowires had different diameter and length, which were tunable by template porous material and time of deposition, respectively. The quality of the prepared wires was dependent also on deposition mode. The smallest wires of the diameter around 29 nm were prepared in porous anodic alumina oxide obtained from sulfuric acid. The largest ones, around 44 nm, were produced in oxalic acid. The morphology and surface structure of the AAO films were examined before and after electrodeposition by scanning electron microscopy (SEM), atomic force microscope (AFM), and x-ray diffraction spectroscopy.
电化学沉积是生产多种现代材料的一种非常有效的方法。这种方法不昂贵,也没有样本量的限制。本文介绍了银和金纳米线的制备方法。所制备的纳米线具有不同的直径和长度,分别可通过模板多孔材料和沉积时间进行调节。制备的金属丝的质量还取决于沉积方式。在硫酸制备的多孔阳极氧化铝中制备了直径约为29 nm的最小导线。在草酸中产生了最大的约44 nm的纳米颗粒。采用扫描电子显微镜(SEM)、原子力显微镜(AFM)和x射线衍射光谱分析了电沉积前后AAO薄膜的形貌和表面结构。
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引用次数: 2
Effect of stirring to produce ferric saccharide capsules with alginate coating 海藻酸盐包衣制备糖铁胶囊的搅拌效果
Pub Date : 2019-04-01 DOI: 10.26655/AJNANOMAT.2019.3.6
Susan Khosroyar, A. Arastehnodeh
The present study has focused on the effect of stirring to produce ferric saccharide capsules with alginate coating applying the coacervation method so that we can obtain the best capsules for fortification of hydrated and dehydrated food products. At first, three methods including stirrer, ultra-sonic and sonic bath were compared in order to select the best way of stirring. The experiments results showed that turning was provided by the stirrer method resulted in capsulation with spherical morphology and uniform distribution of surface. In this case the other factors such as the alginate concentration and calcium salt concentration were investigated. After studying the various conditions, it is suggested that the best Capsules were formed in alginate 3% at 500 rpm with concentration of calcium chloride salt 1M. The resulted capsules by this method had a high efficiency and were more stable in hydrated and dehydrated food ingredients network for a long time.
本文研究了采用凝聚法制备海藻酸盐包衣铁糖胶囊的搅拌效果,以期获得最佳的水合和脱水食品强化胶囊。首先对搅拌、超声波和声波浴三种搅拌方式进行了比较,以选择最佳的搅拌方式。实验结果表明,采用搅拌法进行旋转,得到的胶囊形貌呈球形,表面分布均匀。本实验考察了海藻酸盐浓度和钙盐浓度等其他因素的影响。通过对各种条件的研究,认为在海藻酸盐3%、氯化钙盐浓度为1M、转速为500 rpm的条件下形成的胶囊效果最好。该方法制备的胶囊效率高,在水合和脱水食品配料网络中具有较长的稳定性。
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引用次数: 0
TD-DFT Calculations, Electronic Structure, NBO , NLO Analysis, Biological Activity, and Electronic Absorption Spectra of Some Novel Schiff base Derivatives 一些新型希夫碱衍生物的TD-DFT计算、电子结构、NBO、NLO分析、生物活性和电子吸收光谱
Pub Date : 2019-04-01 DOI: 10.26655/AJNANOMAT.2019.3.4
S. A. Halim, E. A. Gomaa, Shymaa E. Rashedb
The electronic structure and spectra of schiff base derivatives compounds are investigated using TD-DFT/B3LYB/6-311G (d, p) level of theory. The results of calculations show that all the studied compounds 1–4 are non-planar, as indicated from the dihedral angles. The electronic absorption spectra of the studied compounds are recorded in the UV-VIS region, in both ethanol (as polar solvent) and dioxane (as non-polar solvent) . Solvent dependence of the band maxima (λmax) and intensities of the observed spectra are explained in terms of blue and red shifts. Electronic configurations contributing to each excited state are identified and the relevant MOs are characterized. The theoretical spectra computed at CAM-B3LYP/6-311G (d, p) in gas phase, ethanol and dioxane nicely reproduce the observed spectra. The natural bond orbital (NBO) analysis were discussed in terms of the extent of delocalization, intermolecular charge transfer and second order perturbation interactions between donor and acceptor MOs. The calculated EHOMO and ELUMO energies of the studied compounds can be used to explain the extent of charge transfer in the molecule and to calculate the global properties; the chemical hardness (η), global softness (S), electrophilicity (ω), and electronegativity (χ). The calculated nonlinear optical parameters (NLO); polarizibilty (α), anisotropy of the polarizibility (Δα) and first order hyperpolarizibility (β) of the studied compounds have been calculated at the same level of theory and compared with the proto type Para-Nitro-Aniline (PNA), show promising optical properties. 3D-plots of the molecular electrostatic potential (MEP) for some of the studied compounds are investigated and analyzed showing the distribution of electronic density of orbital's describing the electrophilic and nucleophilic sites of the selected molecules. The biological activity of the studied compounds was tested against gram positive, gram negative and Fungi. A correlation between energetic, global properties and biological activity were investigated and discussed.
采用TD-DFT/B3LYB/6-311G (d, p)理论研究了席夫碱衍生物的电子结构和光谱。计算结果表明,所研究的化合物1 ~ 4都是非平面的,从二面角可以看出。在乙醇(极性溶剂)和二氧六环(非极性溶剂)中记录了所研究化合物的紫外-可见区电子吸收光谱。波段最大值(λmax)和观测光谱强度的溶剂依赖性用蓝移和红移来解释。确定了导致每种激发态的电子构型,并对相关的MOs进行了表征。在CAM-B3LYP/6-311G (d, p)气相、乙醇和二氧六环下计算的理论光谱很好地再现了观测到的光谱。讨论了天然键轨道(NBO)分析的离域程度、分子间电荷转移和供、受体MOs之间的二阶微扰相互作用。所计算的EHOMO和ELUMO能可以用来解释分子中电荷转移的程度和计算整体性质;化学硬度(η)、整体柔软度(S)、亲电性(ω)和电负性(χ)。计算的非线性光学参数(NLO);在相同的理论水平上计算了所研究化合物的极化率(α)、极化率的各向异性(Δα)和一阶超极化率(β),并与原型对硝基苯胺(PNA)进行了比较,显示出良好的光学性质。对所研究的一些化合物的分子静电势(MEP)的三维图进行了研究和分析,显示了描述所选分子亲电和亲核位点的轨道电子密度的分布。研究了化合物对革兰氏阳性菌、革兰氏阴性菌和真菌的生物活性。研究并讨论了能量、全局性质与生物活性之间的关系。
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引用次数: 0
Synthesis, Characterization and Optical Properties of Co3O4 Nanoparticles 纳米Co3O4的合成、表征及光学性质
Pub Date : 2019-04-01 DOI: 10.26655/AJNANOMAT.2019.3.5
A. D. Khalaji
Mononuclear acyclic cobalt(II) complex [CoL](NO3)2, with the L = 3,3ʹ-dimethoxy-2,2ʹ-(propane-1,3-diyldioxy)dibenzaldehyde was synthesized and used as a precursor for preparation of the Co3O4 nanoparticles. The method was based on thermal decomposition of the cobalt(II) complex at 450 oC for 3 h in air atmosphere. The cobalt oxide nanoparticles were characterized using FT-IR, UV-Vis, XRD, SEM, and TEM techniques. The FT-IR and XRD results revealed that the Co3O4 nanopartcles were pure cubic and single phase. TEM image proved the formation of weakly agglomerated Co3O4 consisted of uniformaly shaped nanoparticles. The average particle size of the obtained Co3O4, derived from transmission electron microscopy data was approximately 17 nm, which is in agreement with that calculated by XRD. In addition, the optical spectrum indicated one direct band gap at 2.3 eV.
合成了以L = 3,3′-二甲氧基-2,2′-(丙烷-1,3-二基二氧基)二苯甲醛为原料的单核无环钴(II)配合物[CoL](NO3)2,并将其作为制备纳米Co3O4的前驱体。该方法是基于钴(II)配合物在450℃的空气气氛中热分解3 h。采用FT-IR、UV-Vis、XRD、SEM和TEM等技术对氧化钴纳米颗粒进行了表征。FT-IR和XRD结果表明,Co3O4纳米颗粒为纯立方相和单相。TEM图像证明了弱团聚的Co3O4是由形状均匀的纳米颗粒组成的。通过透射电镜数据得到的Co3O4的平均粒径约为17 nm,与XRD计算结果一致。此外,光谱在2.3 eV处显示一个直接带隙。
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引用次数: 7
Separation of Some Metal Ions Using β-Naphthol Modified Polyurethane Foam 用β-萘酚改性聚氨酯泡沫分离某些金属离子
Pub Date : 2019-04-01 DOI: 10.26655/AJNANOMAT.2019.3.3
Fadwa M. El-sharief, A. Asweisi, N. Bader
Polyurethane foam was chemically functionalized with β-naphthol  to adsorb metal ions (Fe3+, Cu2+, Cr3+, Co2+ and Mn2+), applying the off-line solid phase extraction procedure. The concentrations of the metals have been detemined using the flame atomic absorption spectroscopy (FAAS). Various factors including, the pH of the sample solution  and the time of extraction were examined. The interference effects of the additional ions in the solution were studied, metal ions of Na+, K+, Mg2+ and Ca2+ and anions, CO32- and SO42-. The new sorbent was examined for separation of Cu, Mn, Cr, Co and Fe ions. The adsorption of metal ions onto β-Nap-PUF was tested using the Morris-Weber equation. The straight line of the plot qt (adsorbed amounts at time t) vs t in all cases, with low R2 (0.767) in case of Mn, indicates the intra particle transport phenomena. The Lagergren equation was applied for mass action phenomenon. The plots of log(1-F) Vs t for Mn, Cr, and Cu were straight with high R2 0.99, 0.98, and 0.81 respectively, indicates that mass action phenomenon are controlling the mechanism following first order process. The capacity sequence of the sorbent  was in the order Mn2+ > Co2+ > Cr3+ > Fe3+> Cu2+.
采用离线固相萃取法,用β-萘酚对聚氨酯泡沫进行化学功能化,吸附金属离子(Fe3+、Cu2+、Cr3+、Co2+和Mn2+)。用火焰原子吸收光谱法(FAAS)测定了金属的浓度。考察了样品溶液的pH值和提取时间等因素。研究了溶液中附加离子Na+、K+、Mg2+、Ca2+等金属离子和阴离子CO32-、SO42-的干扰作用。研究了新型吸附剂对Cu、Mn、Cr、Co和Fe离子的分离效果。利用Morris-Weber方程测试了金属离子在β-Nap-PUF上的吸附。在所有情况下qt(时刻t的吸附量)与t的直线关系,在Mn的情况下R2较低(0.767),表明粒子内输运现象。拉格伦方程应用于质量作用现象。Mn、Cr和Cu的log(1-F) Vs t曲线呈直线,R2分别为0.99、0.98和0.81,表明质量作用现象在一阶过程中控制机理。吸附剂的容量顺序为Mn2+ > Co2+ > Cr3+ > Fe3+> Cu2+。
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引用次数: 2
期刊
Asian Journal of Nanoscience and Materials
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