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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
Enhanced photocatalytic degradation of organic pollutants in water using copper oxide (CuO) nanosheets for environmental application 利用纳米氧化铜 (CuO) 增强光催化降解水中有机污染物的环境应用
Q3 Materials Science Pub Date : 2024-01-07 DOI: 10.1016/j.jciso.2024.100102
Suresh Chandra Baral , P. Maneesha , Sayak Datta , Kailash Dukiya , Dilip Sasmal , Koyal Suman Samantaray , BR Vaishnavi Krupa , Arup Dasgupta , Somaditya Sen

Rapid, inexpensive, and low-power/solar light-driven photocatalytic degradation of organic pollutants to deal with annually produced trillion tons of synthetic dye wastewater to prevent water scarcity issues, ecotoxicological risks, and human health has always been challenging. To overcome this limitation, the present study synthesized earth-abundant, inexpensive copper oxide nanosheets using a simple single-step hydrothermal route. The structural, physicochemical, and functional properties of the nanosheets have been characterized using several characterization techniques. The photocatalytic activity was studied for two commonly industrially used organic dyes, Methylene Blue (MB) and Rhodamine B (RhB). The importance of this work is the usage of a cheap commercially available Phillips UV light (11 W) as well as direct sunlight. With several optimized conditions, almost complete degradation of both dyes was achieved within 35 minutes under low-power UV light and within 70 minutes by the direct illumination of natural sunlight. The enhanced photocatalytic performance can be correlated to the synergetic effect of a higher charge transfer mechanism, good catalytic ‘active surface area’ availability (13.2 m2/g), and several optimized parameters that affect the reaction efficacy. Additionally, five repeated uses of nanosheets without sacrificing performance confirmed their stability and sustainability as a promising candidate for large-scale industrial textile wastewater remedies.

如何以快速、廉价、低功耗/太阳光驱动的光催化降解有机污染物来处理每年产生的数万亿吨合成染料废水,以防止水资源短缺问题、生态毒理学风险和人类健康问题,一直是一项挑战。为了克服这一限制,本研究采用简单的单步水热法合成了富含地球资源、价格低廉的纳米氧化铜片。研究采用多种表征技术对纳米片的结构、理化和功能特性进行了表征。研究了两种常用工业有机染料--亚甲基蓝(MB)和罗丹明 B(RhB)的光催化活性。这项工作的重要性在于使用了廉价的市售菲利普斯紫外线灯(11 W)以及直射阳光。在几种优化条件下,两种染料在低功率紫外光下 35 分钟内几乎完全降解,在自然阳光直射下 70 分钟内几乎完全降解。光催化性能的提高与较高的电荷转移机制、良好的催化 "活性表面积"(13.2 平方米/克)以及影响反应效率的几个优化参数的协同效应有关。此外,在不影响性能的情况下,五次重复使用纳米片证实了其稳定性和可持续性,有望成为大规模工业纺织废水处理的候选材料。
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引用次数: 0
Expression of concern: “Recent advances on graphene polymeric bionanoarchitectures for biomedicals” [JCISO 9 (2023) 100070] 表达关切:"用于生物医学的石墨烯聚合物仿生纳米结构的最新进展" [JCISO 9 (2023) 100070]
Q3 Materials Science Pub Date : 2024-01-01 DOI: 10.1016/j.jciso.2024.100111
Christopher Igwe Idumah
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引用次数: 0
Expression of concern: “Emerging advancements in xerogel polymeric bionanoarchitectures and applications” [JCISO 9 (2023) 100073] 表达关切:"气凝胶聚合物仿生结构和应用的新进展"[监委会第 9 (2023) 100073 号决议]
Q3 Materials Science Pub Date : 2024-01-01 DOI: 10.1016/j.jciso.2024.100114
Christopher Igwe Idumah
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引用次数: 0
Evaporative phase separation in polymer microdroplets with confinement and internal flow 具有封闭性和内部流动性的聚合物微滴中的蒸发相分离
Q3 Materials Science Pub Date : 2023-12-16 DOI: 10.1016/j.jciso.2023.100101
Mukesh Kumar, Maheshwar Gopu, Senthan Pugalneelam Parameswaran, Prerak Joshi, Dileep Mampallil

Evaporation can drive initially homogeneous multiphase liquid systems out of equilibrium to induce liquid-liquid phase separation (LLPS). Here, we demonstrate evaporative LLPS in microfluidic-generated emulsion microdroplets of polymer mixtures. The evaporation produces distinct polymer phases within the microdroplets. Phase separation occurs even with polymer combinations that do not form distinct phases in sessile droplet evaporation. We attribute this aspect to evaporation-driven solutal Marangoni flows and the interface capture accumulating the nuclei at the apex where the evaporation rate is the maximum. A fast coalescence and growth of the accumulated polymer nuclei occurs inside the droplets, unlike the capillary-flow-induced spread-out of the nuclei along the contact line in sessile drops. Our method of evaporation of the droplet cluster may facilitate studying LLPS in volume-limited environments and have implications for understanding LLPS in biological systems.

蒸发可使最初均相的多相液体系统失去平衡,从而诱发液-液相分离(LLPS)。在这里,我们展示了微流体产生的聚合物混合物乳液微滴中的蒸发 LLPS。蒸发在微液滴中产生了不同的聚合物相。即使是在无柄液滴蒸发过程中不会形成不同相的聚合物组合,也会发生相分离。我们将这方面的原因归结为蒸发驱动的溶质马兰戈尼流和界面捕获,在蒸发速率最大的顶点积累晶核。累积的聚合物晶核在液滴内部快速凝聚和生长,这与无柄液滴中由毛细管流引起的晶核沿接触线扩散不同。我们的液滴团蒸发方法可能有助于在体积受限的环境中研究 LLPS,并对了解生物系统中的 LLPS 有一定意义。
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引用次数: 0
Mineral oil-based drilling fluid formulation using biosurfactant and nanoparticles with good rheological behavior and excellent H2S scavenging capability 使用生物表面活性剂和纳米颗粒的矿物油基钻井液配方具有良好的流变特性和出色的 H2S 清除能力
Q3 Materials Science Pub Date : 2023-12-12 DOI: 10.1016/j.jciso.2023.100100
Sagheer A. Onaizi

There are two commonly used drilling fluids, namely water-based muds (WBMs) and oil-based muds (OBMs); however, the latter type is more desirable for drilling unconventional oilfield reserves. To account for the potential encounter of hydrogen sulfide (H2S) while drilling, the utilized OBMs should contain scavenger(s) with an effective H2S mitigation capability in order to in-situ capture this very lethal and corrosive gas. To the best of our knowledge, studies on incorporating H2S scavengers in OBMs and their testing are still greatly lacking in open literature. Thus, this study contributes into the filling of this gap by preparing a mineral oil-based drilling mud (MOBM) containing potassium permanganate as a promising, widely available, safe, and cheap H2S scavenger. The MOBM also comprised other ingredients including rhamnolipid biosurfactant as an emulsifier and octadecanethiol-modified (i.e., hydrophobized) zinc nanoparticles (serving as weighting agent). These materials have not been widely utilized so far in open literature for the preparation of MOBM. The results obtained from this study demonstrated that this mud could fully scavenge H2S for up to 22.7 h (i.e., breakthrough time), and it took about 63 h for the MOBM to become fully saturated with H2S. The scavenged amounts of H2S at these times reached 324.4 and 485.8 g/barrel MOBM, respectively. The formulated MOBM also displayed an appropriate non-Newtonian shear thinning behavior, where the apparent viscosity dropped sharply from about 1.96 to 0.71 Pa.s upon increasing the shear rate to from 1 to 10 s−1, followed by a gradual decrease down to 0.31 Pa.s at a shear rate of 1000 s−1. Additionally, the formulated mud is able to dissipate a significant amount of thermal energy as inferred from its estimated high activation energy of 34.93 kJ/mol, suggesting a good thermal stability of the MOBM. The present study reveals the possibility of formulating mineral OBMs with effective H2S for safely drilling sour oil and gas reservoirs.

常用的钻井液有两种,即水基泥浆(WBMs)和油基泥浆(OBMs)。为了应对钻井过程中可能遇到的硫化氢(H2S),所使用的 OBMs 应包含具有有效 H2S 减缓能力的清除剂,以便就地捕获这种非常致命的腐蚀性气体。据我们所知,公开文献中仍然非常缺乏关于在 OBM 中加入 H2S 清除剂及其测试的研究。因此,本研究通过制备含有高锰酸钾的矿物油基钻井泥浆(MOBM)来填补这一空白,高锰酸钾是一种前景广阔、可广泛获得、安全且廉价的 H2S 清除剂。MOBM 还包含其他成分,包括作为乳化剂的鼠李糖脂生物表面活性剂和十八烷硫醇改性(即疏水)的纳米锌颗粒(作为增重剂)。迄今为止,这些材料尚未在公开文献中被广泛用于制备 MOBM。研究结果表明,这种泥浆可以在长达 22.7 小时(即突破时间)内完全清除 H2S,而 MOBM 完全饱和 H2S 则需要约 63 小时。在这些时间内,MOBM 清除的 H2S 量分别达到 324.4 克/桶和 485.8 克/桶。配制的 MOBM 还表现出适当的非牛顿剪切稀化行为,当剪切速率从 1 s-1 增加到 10 s-1 时,表观粘度从约 1.96 Pa.s 急剧下降到 0.71 Pa.s,随后在剪切速率为 1000 s-1 时逐渐下降到 0.31 Pa.s。此外,根据 34.93 kJ/mol 的高活化能估算,配制的泥浆能够耗散大量热能,这表明 MOBM 具有良好的热稳定性。本研究揭示了配制具有有效 H2S 的矿物 OBM 的可能性,可用于安全钻探酸性油气藏。
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引用次数: 0
Adsorption of l-lactate from cell culture media by layered double hydroxide and evaluation of its cytotoxicity to cell lines 层状双氢氧化物对l-乳酸的吸附及其对细胞系的细胞毒性评价
Q3 Materials Science Pub Date : 2023-12-01 DOI: 10.1016/j.jciso.2023.100099
Valentina Podolinnaia , Tomohito Kameda , Itsuki Takanashi , Fumihiko Kitagawa , Shogo Kumagai , Yuko Saito , Masayuki Kondo , Yoichi Jimbo , Toshiaki Yoshioka

The large-scale culture of human induced pluripotent stem cells (hiPSCs) is essential for developing new pharmaceuticals and regenerative therapy methods. While for the development of cultured meat products, mass production of animal myoblasts is necessary. Both hiPSCs and animal myoblasts consume d-glucose as their energy source and produce l-lactate, which accumulates in cell culture media and inhibits cell proliferation. To make large-scale cell culture economically feasible, l-lactate removal and subsequent reuse of media are of high importance. The adsorption technique is attractive for l-lactate removal due to its low cost, ease of operation, and scalability. The current study is dedicated to 4-(2-hydroxyethyl)-1-piperazineethanesulfonate (HEPES) intercalated Mg–Al layered double hydroxide (LDH), which acts as a biocompatible anion-exchanger in media. HEPES‧Mg–Al LDH was able to remove l-lactate from hiPS cells and myoblast-relevant media selectively while mostly retaining d-glucose. Adsorbent exhibited dose-dependent cytotoxicity to hiPSCs and C2C12 cells, mainly related to elevated osmolarity, HEPES, and Mg levels and adsorption of media micro components. By employing alternatively prepared sol-gel derived HEPES‧Mg–Al LDH, the required adsorbent dose for efficient l-lactate removal was reduced to a safe level. The current study thoroughly evaluates Mg–Al layered double hydroxides as suitable adsorbents for cell culture media regeneration and discusses the limitations of Mg–Al LDHs in systems relevant to hiPS cells and C2C12 cells. This work promotes the cost-effective large-scale production of cells and gives insight into the limitations of Mg–Al LDHs applied to systems of biological origin.

人类诱导多能干细胞(hiPSCs)的大规模培养对于开发新的药物和再生治疗方法至关重要。而为了培养肉制品的发展,动物成肌细胞的大量生产是必要的。hipsc和动物成肌细胞都消耗d-葡萄糖作为能量来源并产生l-乳酸,l-乳酸在细胞培养基中积累并抑制细胞增殖。为了使大规模细胞培养在经济上可行,l-乳酸的去除和随后的培养基再利用是非常重要的。吸附技术因其成本低、易于操作和可扩展性而受到l-乳酸盐去除的青睐。目前的研究致力于4-(2-羟乙基)-1-哌嗪乙磺酸盐(HEPES)插入Mg-Al层状双氢氧化物(LDH),它在培养基中充当生物相容性阴离子交换剂。HEPES·Mg-Al LDH能够选择性地去除hiPS细胞和成肌细胞相关培养基中的l-乳酸,同时大部分保留d-葡萄糖。吸附剂对hiPSCs和C2C12细胞表现出剂量依赖性的细胞毒性,主要与升高渗透压、HEPES和Mg水平以及介质微组分的吸附有关。通过交替制备溶胶-凝胶衍生HEPES·Mg-Al LDH,有效去除l-乳酸所需的吸附剂剂量降低到安全水平。目前的研究全面评估了Mg-Al层状双氢氧化物作为细胞培养基再生的合适吸附剂,并讨论了Mg-Al LDHs在与hiPS细胞和C2C12细胞相关的系统中的局限性。这项工作促进了具有成本效益的细胞大规模生产,并深入了解了Mg-Al LDHs应用于生物来源系统的局限性。
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引用次数: 0
Antibacterial composites based on halloysite with silver nanoparticles and polyoxometalates 高岭土-纳米银-多金属氧酸酯抗菌复合材料
Q3 Materials Science Pub Date : 2023-10-30 DOI: 10.1016/j.jciso.2023.100098
Adeliya R. Sayfutdinova , Kirill A. Cherednichenko , Alexey A. Bezdomnikov , Ubirajara Pereira Rodrigues-Filho , Vladimir V. Vinokurov , Berik Tuleubayev , Denis Rimashevskiy , Dmitry S. Kopitsyn , Andrei A. Novikov

The spread of bacterial infections aggravated by the development of microbial resistance to antibiotics requires the creation of protective antibacterial materials. Nanomaterials with biocides can provide antibacterial and antibiofilm properties against Gram-positive and Gram-negative bacteria. In this work, we synthesized nanocomposites with silver nanoparticles and different polyoxometalates of Keggin-structure (phosphomolybdic, phosphotungstic, and tungstosilicic acids) on eco-friendly nanoclay called halloysite. We found that the nanocomposite containing silver nanoparticles and phosphomolybdic acid deposited on the halloysite possesses the best antibacterial performance of all the obtained composites, having a minimal inhibitory concentration of 0.5 g/L against S. aureus, 0.25 g/L against P. aeruginosa and A. baumannii. This composite reduces the viability of formed biofilms at a concentration of 2.5 g/L.

微生物对抗生素的耐药性的发展加剧了细菌感染的传播,这需要创造保护性抗菌材料。含有杀菌剂的纳米材料可以对革兰氏阳性和革兰氏阴性细菌提供抗菌和抗生物膜特性。在这项工作中,我们在生态友好型纳米粘土高岭土上合成了银纳米粒子和不同的凯金结构多金属氧酸盐(磷钼酸、磷钨酸和钨硅酸)的纳米复合材料。我们发现,在所有复合材料中,沉积在高岭土上的含银纳米粒子和磷钼酸的纳米复合材料具有最佳的抗菌性能,对金黄色葡萄球菌的最小抑制浓度为0.5 g/L,对铜绿假单胞菌和鲍曼假单胞菌的最小抑制浓度为0.25 g/L。当浓度为2.5 g/L时,这种复合物会降低形成的生物膜的活力。
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引用次数: 0
A catalyst-free, green and efficient protocol for the synthesis of methyleneisoxazole-5(4H)-ones supported by ultrasonic irradiation 一种无催化剂、绿色高效的超声辅助合成亚甲基异恶唑-5(4H)-的方法
Q3 Materials Science Pub Date : 2023-10-17 DOI: 10.1016/j.jciso.2023.100097
Jyothi Bankuru , Venkateswara Rao Battula , S. Tirumala Santhoshkumar , Sidama Gopal , Ram Pratap Meena , N. Zaheer Ahmed

A catalyst-free, green and efficient protocol for the one-pot, multi-component, synthesis of Methyleneisoxazole-5(4H)-ones (4a-l) from the reaction of Ethyl acetoacetate, aromatic aldehyde, and hydroxylamine hydrochloride in ethanol as green solvent under ultrasound irradiation at ambient temperature is described. This protocol offers several positive benefits, including simple handling, rapid reaction time period (≤10 mints), easy workup process, waste-free, gentler reaction conditions, ecologically friendly, cleaner reaction, absence of any a laborious purification and excellent yields.

介绍了一种无催化剂、绿色高效的以乙醇为绿色溶剂,以乙酰乙酸乙酯、芳香醛和盐酸羟胺为原料,在室温超声照射下,一锅多组分合成亚甲二恶唑-5(4H)- 1 (4a- 1)的方法。该方案具有几个积极的优点,包括简单的处理,快速的反应时间(≤10分钟),容易的后处理过程,无废物,温和的反应条件,生态友好,更清洁的反应,没有任何费力的纯化和优异的产量。
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引用次数: 0
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