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Photocatalysis-enhanced synthesis and stabilization of silver nanoparticles by methanol-based phytochemicals extract of Trigonella foenum-graecum seeds 用甲醇基植物化学提取物合成并稳定银纳米粒子
Q3 Materials Science Pub Date : 2024-06-12 DOI: 10.1016/j.jciso.2024.100116
Monalisha Sarmin , Sourav Gurung , Sreerupa Sarkar , Susmita Das , Muddasarul Hoda

Trigonella foenum-graecum is an economically important plant that has significant nutraceutical properties. Various parts of the plant have previously been reported to synthesize metal nanoparticles. However, the seeds of the plant have limited potential to synthesize metal nanoparticles. Green synthesis of silver nanoparticles requires phytochemicals as reducing and metal chelating agents, in addition to the stabilizing agents that play critical role in nanoparticles stabilization. The quantitative analysis of the methanol extract of the seeds suggest that the extract has significant antioxidant activity and reducing potential which is comparable to that of ascorbic acid. Likewise, GCMS data of the extract identified several phytochemical components that have nanoparticles stabilizing potential. Evidently, the extract indeed synthesized silver nanoparticles in dark, albeit in very low quantity. This limitation of low quantity of nanoparticles synthesis was overcome by photocatalysis. The rate of nanoparticles synthesis increased significantly with increase in the intensity of the white light-emitting diode (LED) light. Furthermore, the photocatalytic effect of the white light also has significant impact on the physicochemical characterisation of the nanoparticles. Particle size, nanoparticles yield and elemental analysis demonstrated that the 2000 lumens white LED light is optimum for photocatalysis as compared to the 250 lumens and 825 lumens light. However, the stability of nanoparticles is not influenced by photoirradiation, and is rather controlled by the phytochemical composition of the extract. Methanol extract of the seeds significantly enhanced the stability of the silver nanoparticles irrespective of the light intensities used for photocatalysis.

鹅掌楸是一种具有重要经济价值的植物,具有显著的营养保健特性。据报道,该植物的不同部分可合成金属纳米颗粒。然而,该植物的种子合成金属纳米粒子的潜力有限。银纳米粒子的绿色合成除了需要植物化学物质作为还原剂和金属螯合剂外,还需要在纳米粒子稳定过程中发挥关键作用的稳定剂。对种子甲醇提取物的定量分析表明,该提取物具有显著的抗氧化活性和还原潜力,可与抗坏血酸相媲美。同样,萃取物的 GCMS 数据也确定了几种具有纳米颗粒稳定潜力的植物化学成分。显然,该提取物确实在黑暗中合成了银纳米粒子,尽管数量很少。光催化技术克服了纳米粒子合成量低的限制。随着白光发光二极管(LED)光强度的增加,纳米粒子的合成率也明显增加。此外,白光的光催化效应对纳米颗粒的理化特性也有重要影响。粒度、纳米颗粒产量和元素分析表明,与 250 流明和 825 流明的白光相比,2000 流明的白光 LED 光催化效果最佳。然而,纳米颗粒的稳定性并不受光照的影响,而是由提取物的植物化学成分控制。无论光催化使用的光强度如何,种子的甲醇提取物都能显著提高纳米银粒子的稳定性。
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引用次数: 0
Influence of chain length of amido betaines and amine degree of diamines on the binary supramolecular assembly and viscosity dynamics of amido betaine/diamine coacervates 氨基甜菜碱的链长和二胺的胺度对氨基甜菜碱/二胺共凝聚体的二元超分子组装和粘度动力学的影响
Q3 Materials Science Pub Date : 2024-05-14 DOI: 10.1016/j.jciso.2024.100112
Yu-Ting Lin , Wentao Zhou , Shuhao Liu , Bhargavi Bhat , Kai-Yuan Kuan , Silabrata Pahari , Joseph Kwon , Mustafa E.S. Akbulut

Recently, there has been growing interest in the hierarchical assemblies of zwitterionic betaine amphiphiles across various fields due to their utility as stimuli-responsive materials. Herein, we systematically investigate the binary supramolecular assembly of zwitterionic amido betaines and diamines to determine how alkyl chain length of amido betaines (CnDAB) and amine degree of diamines influence their relaxation dynamics of the resultant coacervates. To this end, we synthesized five CnDAB molecules with systematically varying carbon chain lengths (n = 12, 14, 16, 18, and 20) and conjugated them with three different diamines (ethylenediamine, EDA; n,n'-dimethylethylenediamine, DMEDA; and n,n,n',n'-tetramethylethylenediamine,TMEDA). We employed rheology to compare the bulk properties and relaxation dynamics of these assemblies as well as to gain insight into their responsiveness to pH stimulus. All betaine/diamine co-assemblies for all pH values showed shear-thinning behavior while the onset of shear thinning behavior showed some variation for the shear rate inducing such an onset. By changing molecular architecture of co-assembling pairs, zero-shear viscosity values varied from ∼10−1 Pa s to ∼103 Pa s at a concentration of 100 mM CnDAB and 50 mM diamine in water. Four-order-of-magnitude difference in viscosity with small changes in molecular architecture and pH indicates that precise tuning of the rheological properties is possible simply by controlling the self-assembly tendencies and nano-to-micro scale aggregation morphologies through bi-molecular design. Out of 15 different combinations of betaine and diamine pairs studied, the primary amine EDA conjugated with C18DAB resulted in the highest degree of pH-controlled viscosity changes (i.e., highest pH-responsivity). Below 16-carbon alkyl chains on the betaines, pH responsiveness mostly disappeared. Overall, this systematic study brings new insights into the molecular structure-property relationships of amido betaine/diamine systems, which are widely used in diverse sets of applications and fields.

近来,由于具有刺激响应材料的作用,各领域对齐聚氨基甜菜碱双亲化合物的分层组装越来越感兴趣。在此,我们系统地研究了两性离子型氨基甜菜碱和二胺的二元超分子组装,以确定氨基甜菜碱(CnDAB)的烷基链长和二胺的胺度如何影响所产生的共凝聚体的弛豫动力学。为此,我们合成了五种碳链长度各异(n = 12、14、16、18 和 20)的 CnDAB 分子,并将它们与三种不同的二胺(乙二胺,EDA;n,n'-二甲基乙二胺,DMEDA;和 n,n,n',n'-四甲基乙二胺,TMEDA)共轭。我们采用流变学方法比较了这些组装体的体积特性和弛豫动力学,并深入了解了它们对 pH 值刺激的响应性。在所有 pH 值条件下,所有甜菜碱/二胺共聚物都表现出剪切稀化行为,而剪切稀化行为的开始时间则因剪切速率的不同而有所差异。通过改变共组装对的分子结构,在水中浓度为 100 mM CnDAB 和 50 mM 二胺时,零剪切粘度值从 ∼10-1 Pa s 到 ∼103 Pa s 不等。分子结构和 pH 值稍有变化,粘度就会出现四个数量级的差异,这表明只需通过双分子设计控制自组装趋势和纳米到微米级的聚集形态,就能精确调节流变特性。在所研究的 15 种不同的甜菜碱和二胺组合中,与 C18DAB 共轭的伯胺 EDA 可产生最高程度的 pH 值控制粘度变化(即最高的 pH 值响应性)。甜菜碱上的烷基链低于 16 个碳时,pH 反应性大多消失。总之,这项系统性研究为广泛应用于各个领域的氨基甜菜碱/二胺体系的分子结构-性能关系带来了新的见解。
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引用次数: 0
Description of surfactant 2D monolayer formation at the air/water interface within semiempirical quantum chemistry 在半经验量子化学中描述空气/水界面上表面活性剂二维单层的形成
Q3 Materials Science Pub Date : 2024-03-22 DOI: 10.1016/j.jciso.2024.100110
E.S. Kartashynska , D. Vollhardt

The review discusses the development of a quantum chemical approach for calculating the thermodynamic clusterization parameters of surfactants at the air/water interface. It characterizes the intermolecular interactions that govern the process of surfactant association. Of particular interest are the dispersion interactions CH···HC between the hydrophobic chains of surfactants, as well as their accurate description within the exploited scheme and semiempirical methods. The scheme is based on calculating the thermodynamic parameters of formation for a certain number of surfactant monomers and small clusters with different chain lengths using the supermolecule approximation. Furthermore, it enables the construction of an additive scheme with assessed values of the increments of CH···HC interactions and interactions between the hydrophilic parts. This scheme provides equations for thermodynamic clusterization parameters per one surfactant molecule of infinite 2D films. The number of parameters adequately assessed within this approach is described in the previous review in Colloid Polym. Sci., 2015, 293, 3065–3089: the threshold chain length of spontaneous clusterization, the “temperature effect” of clusterization, and the assessment of the molecular tilt angle of the surfactant with respect to the interface. In this context, our aim is to describe additional parameters and experimental phenomena. These include the dependence of the area per surfactant molecule in a 2D monolayer at the LE-LC phase transition on temperature and chain length, the correlation of the surfactant clusterization threshold with the solubility threshold, and with the donor-acceptor properties of the substituents included in the hydrophilic part. We also explore surfactant binary mixtures, surfactant – alkane mixtures, and the role of amphiphiles in the formation of alkane adsorption layers. Additionally, we investigate the shifting of the acid or base value (pKa, pKb) of surfactants with chain elongation during monolayer formation, as well as the dendricity of surfactant domains with an increase in temperature or shortening of chain length.

综述讨论了计算空气/水界面表面活性剂热力学聚类参数的量子化学方法的发展。它描述了支配表面活性剂结合过程的分子间相互作用。特别值得关注的是表面活性剂疏水链之间的分散相互作用 CH----HC,以及在所利用的方案和半经验方法中对它们的精确描述。该方案的基础是利用超分子近似法计算一定数量的表面活性剂单体和不同链长的小簇的形成热力学参数。此外,该方法还可以构建一个加法方案,对 CH--HC 相互作用和亲水部分之间相互作用的增量进行评估。该方案提供了无限二维薄膜中每个表面活性剂分子的热力学聚类参数方程。在《Colloid Polym.Sci.,2015,293,3065-3089 中的综述中描述了:自发聚类的阈值链长、聚类的 "温度效应 "以及表面活性剂相对于界面的分子倾斜角评估。在此背景下,我们的目标是描述更多参数和实验现象。其中包括在 LE-LC 相变时二维单层中每个表面活性剂分子的面积对温度和链长的依赖性、表面活性剂聚类阈值与溶解度阈值的相关性,以及与亲水部分所含取代基的供体-受体特性的相关性。我们还探讨了表面活性剂二元混合物、表面活性剂-烷烃混合物以及两性化合物在形成烷烃吸附层中的作用。此外,我们还研究了在单层形成过程中,表面活性剂的酸值或碱值(pKa、pKb)会随着链的拉长而发生变化,以及表面活性剂畴的树枝性会随着温度的升高或链长度的缩短而发生变化。
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引用次数: 0
Life in a saturated salt environment; a colloidal perspective 饱和盐环境中的生命;胶体视角
Q3 Materials Science Pub Date : 2024-03-12 DOI: 10.1016/j.jciso.2024.100109
Håkan Wennerström
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引用次数: 0
Chasing fractals: The forgotten conundrum of colloidal aggregates 追逐分形:被遗忘的胶体聚集难题
Q3 Materials Science Pub Date : 2024-03-08 DOI: 10.1016/j.jciso.2024.100107
Robert Botet
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引用次数: 0
Co-amorphous system of Bifonazole for improved in-vitro permeation and antifungal activity 改善体外渗透性和抗真菌活性的联苯苄唑共晶体系
Q3 Materials Science Pub Date : 2024-02-24 DOI: 10.1016/j.jciso.2024.100108
Devanshi S. Shah , Sharda Gurram , Vitthal N. Gadlawar , Durgesh K. Jha , Siddhi P. Kamble , Purnima D. Amin

Bifonazole (BF), belonging to the newer class of antifungal drugs, is being widely explored for topical administration for fungal infections. It has proven to have better efficiency than other older drugs. However, it's low solubility poses a challenge in the formulation and, therefore, in the drug product's efficacy. Intending to harness the benefits of the drug, the objective of the current study was to prepare a supersaturated system of the drug with a coformer. A co-amorphous system (CAS) of BF and citric acid (CA) was prepared using solvent evaporation to achieve better permeation and antimicrobial efficacy after topical application. The prepared system was evaluated for its solid-state properties by DSC, XRD, and FTIR. The theoretical values of the glass transition temperature, as calculated by the Gordon-Taylor equation, correlated well with the observations of the thermal analysis. The prepared system was dispersed in propylene glycol to perform in-vitro permeation studies wherein enhanced permeation properties were noted. The CAS showed better antifungal properties against A. niger owing to better release and solubility of the drug. Thus, It was concluded that a co-amorphous system of BF is a promising formulation strategy for topical drug delivery.

联苯苄唑(Bifonazole,BF)属于较新的抗真菌药物,目前正被广泛用于治疗真菌感染的局部用药。事实证明,它比其他老药更有效。然而,它的低溶解度给配方带来了挑战,从而影响了药物产品的疗效。为了利用该药物的优点,本研究的目的是制备一种该药物与共形物的过饱和体系。利用溶剂蒸发法制备了一种 BF 和柠檬酸(CA)的共形体系(CAS),以便在局部应用后获得更好的渗透性和抗菌功效。通过 DSC、XRD 和 FTIR 对制备的体系进行了固态性质评估。根据戈登-泰勒方程计算得出的玻璃化转变温度理论值与热分析的观测结果十分吻合。将制备好的体系分散在丙二醇中进行体外渗透研究,结果表明其渗透性能有所提高。由于药物的释放和溶解性更好,CAS 对黑僵菌具有更好的抗真菌性能。因此,结论是 BF 的共晶体系是一种很有前景的局部给药配方策略。
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引用次数: 0
Sustained release of acyclovir from alginate-gellan gum and alginate-xanthan gum microbeads 藻酸盐-结冷胶和藻酸盐-黄原胶微珠持续释放阿昔洛韦
Q3 Materials Science Pub Date : 2024-02-12 DOI: 10.1016/j.jciso.2024.100106
Sudipta Das , Arnab Samanta , Sawan Das , Amit Kumar Nayak

In the current research, acyclovir-loaded microbeads were formulated via ionotropic gelation using sodium alginate-gellan gum and sodium alginate-xanthan gum. In the preparation of these acyclovir-loaded microbeads, aluminium chloride and barium chloride were used as cross-linking agents. All these ionotropically-gelled acyclovir-loaded alginate-gellan gum microbeads and alginate-xanthan gum microbeads exhibited good percent yields (85.07 ± 1.58 to 92.17 ± 3.02%) and drug entrapment efficiencies (74.09 ± 1.38 to 95.16 ± 3.37%). Acyclovir-loaded alginate-gellan gum microbeads exhibited comparatively smaller average particle sizes (0.54 ± 0.02 to 0.71 ± 0.03 mm) than those of acyclovir-loaded alginate-xanthan gum microbeads (0.60 ± 0.02 to 0.82 ± 0.04 mm). Acyclovir-loaded alginate-xanthan gum microbeads exhibited comparatively higher swelling than that of acyclovir-loaded alginate-gellan gum microbeads. A sustained pattern of acyclovir release over 240 min was noticed by these microbeads. Surface morphology analysis of the best microbeads formulation (on the basis of sustained acyclovir release data) was done by scanning electron microscopy (SEM). These kinds of ionotropically-gelled alginate-based microbeads might be advantageous to facilitate enhanced patient compliances with minimal dosing frequency and enhanced oral bioavailability.

在目前的研究中,使用海藻酸钠-结冷胶和海藻酸钠-黄原胶,通过离子凝胶法配制了阿昔洛韦负载微珠。在制备这些阿昔洛韦微珠时,使用了氯化铝和氯化钡作为交联剂。所有这些离子胶化的阿昔洛韦负载海藻酸盐-结冷胶微珠和海藻酸盐-黄原胶微珠都表现出良好的产率(85.07 ± 1.58 至 92.17 ± 3.02%)和药物包埋效率(74.09 ± 1.38 至 95.16 ± 3.37%)。与负载阿昔洛韦的海藻酸-黄原胶微珠(0.60 ± 0.02 至 0.82 ± 0.04 mm)相比,负载阿昔洛韦的海藻酸-黄原胶微珠的平均粒径较小(0.54 ± 0.02 至 0.71 ± 0.03 mm)。与负载阿昔洛韦的海藻酸盐-黄原胶微珠相比,负载阿昔洛韦的海藻酸盐-结冷胶微珠表现出更高的膨胀率。这些微珠在 240 分钟内持续释放阿昔洛韦。利用扫描电子显微镜(SEM)对最佳微珠配方(根据阿昔洛韦的持续释放数据)进行了表面形态分析。这些基于藻酸盐的离子态胶化微珠可能有助于提高患者的依从性,减少给药次数,提高口服生物利用度。
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引用次数: 0
Thoughts on specific ion effects 关于特定离子效应的思考
Q3 Materials Science Pub Date : 2024-02-11 DOI: 10.1016/j.jciso.2024.100104
Epameinondas Leontidis
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引用次数: 0
New solution of the non-linear Poisson-Boltzmann differential equation for solid particle dispersions in dissymmetrical electrolytes 不对称电解质中固体颗粒分散的非线性泊松-波尔兹曼微分方程的新解
Q3 Materials Science Pub Date : 2024-02-09 DOI: 10.1016/j.jciso.2024.100103
Tayssir Hamieh

A new mathematical solution to the non-linear Poisson-Boltzmann differential equation for solid-liquid dispersions in presence of different dissymmetrical electrolytes was given. The analytical expressions of the surface and charge density of solid particles were given. The variations of electrostatic potential ψ (x) and charge density σ (x) of dispersed particles against the distance x were obtained. For colloidal particles in presence of E(m-n) electrolytes with mn with m3,n3 and for E(2–3) and E(3-2) electrolytes, the mean electrostatic potential as a function of the distance was numerically integrated by Mathematica program version 13.

The experimental study of silica suspensions in presence with the following electrolytes NaCl, Na2SO4, CaCl2, Na3PO4, AlCl3, Al2(SO4)3, Ca3(PO4)2, Na4P2O7 and Na5P3O10 led to confirm the theoretical predictions obtained from the analytical solution of Poisson-Boltzmann equation. The results obtained allowed to determine the surface potential as a function of pH of the suspension and the electrostatic potential versus the distance x. The variations of the dissociation coefficient of silica surfaces were determined. An important effect of the anion and cation valences of the dissymmetrical electrolytes on the surface charge density and potential was highlighted.

对存在不同不对称电解质的固液分散体的非线性泊松-波尔兹曼微分方程给出了新的数学解决方案。给出了固体颗粒表面和电荷密度的解析表达式。得到了分散粒子的静电势 ψ (x) 和电荷密度 σ (x) 随距离 x 的变化。对于存在 E(m-n)电解质(m≠n,m≥3,n≥3)以及 E(2-3)和 E(3-2)电解质的胶体粒子,用 Mathematica 程序第 13 版对平均静电势随距离的变化进行了数值积分。通过对存在以下电解质的二氧化硅悬浮液进行实验研究:NaCl、Na2SO4、CaCl2、Na3PO4、AlCl3、Al2(SO4)3、Ca3(PO4)2、Na4P2O7 和 Na5P3O10。根据所获得的结果,可以确定表面电位与悬浮液 pH 值的函数关系,以及静电电位与距离 x 的关系。不对称电解质的阴阳离子价对表面电荷密度和电势的重要影响得到了强调。
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引用次数: 0
Interactions of α-Tocopherol in F127/lignin microemulsions: A DFT and semi-empirical study α-生育酚在 F127/木质素微乳液中的相互作用:DFT 和半经验研究
Q3 Materials Science Pub Date : 2024-02-07 DOI: 10.1016/j.jciso.2024.100105
Pouya Karimi , Abbas Rahdar , Francesco Baino

Tocopherols are fat soluble substances with antioxidant properties. The α-Tocopherol (T) is the major form of Tocopherols and can decrease the risk of cancer. F127-based and Lignin-based oil-in-water microemulsions seem to increase the bioavailability of T and cause better release of this therapeutic agent. Thus, T-loaded microemulsions were designed by means of density functional theory (DFT) and semi-empirical methods. Atoms in molecules (AIM), natural bond orbital (NBO) analyses, localized molecular orbital energy decomposition analysis (LMO-EDA), and density of states plots were employed to explore the effective factors on the strength of the interactions between surfactants and T. Results indicate that F127-T complexes are more stable than Lignin-T ones. Furthermore, the stable release of T in microemulsions is due to the electrostatic interactions between surfactants and T. Formation of hydrogen bond (HB) interactions between surfactants and T stabilizes the microemulsion system. These interplays are suggested to take part in the better function of T in microemulsions compared to free T. The semi-empirical study reveals that the heats of formation (ΔHf values) of the F127-T complexes are less negative than those for the Lignin-T ones.

生育酚是具有抗氧化特性的脂溶性物质。α-生育酚(T)是生育酚的主要形式,可以降低癌症风险。基于 F127 和木质素的水包油微乳剂似乎能提高生育酚的生物利用率,并能更好地释放这种治疗剂。因此,我们采用密度泛函理论(DFT)和半经验方法设计了载 T 的微乳剂。结果表明,F127-T 复合物比木质素-T 复合物更稳定。此外,T 在微乳液中的稳定释放是由于表面活性剂和 T 之间的静电作用。半经验研究表明,F127-T 复合物的形成热(ΔHf 值)比木质素-T 复合物的负值小。
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引用次数: 0
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