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Innovative nonfluorinated-omniphobic membranes using palmitic acid surface grafting for efficient low-pressure desalination via membrane distillation
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-11 DOI: 10.1007/s11696-025-03882-3
Rendy Muhamad Iqbal, Mohd Hafiz Dzarfan Othman, Mohd Akmali Mokhter, Deni Shidqi Khaerudini, Fatin Hazirah Abdullah, Mohd Hafiz Puteh, Juhana Jaafar, Mukhlis A. Rahman

Membrane distillation (MD) as thermal-driven membrane separation commonly uses hydrophobic membrane, but this membrane has limitation due to wetting issues from low surface tension liquids, such as oils and surfactants. The strategic improvement to overcome the wetting issue is via omniphobic surface modification as it has the ability to repel low surface tension liquids. This research aims to fabricate and evaluate the anti-wetting properties of omniphobic polyvinylidene fluoride (PVDF) membrane modified with ZnO nanoparticles (ZnO Nps) as the re-entrant structure and palmitic acid (PA) as “green material” of the hydrophobic agent. The deposition of ZnO Nps was carried out using dip coating approach with variations of ZnO Nps loadings (1, 2, and 3 wt%) and then followed by palmitic acid surface grafting with various immersion times of 3, 6, 12, and 24 h. The developed omniphobic membrane was characterized using contact angle goniometer, scanning electron microscope (SEM), atomic force microscope (AFM), liquid entry pressure test, and leaching test. The results showed that the modification with ZnO Nps and palmitic acid obtained contact angle above 90° when tested with water, ethylene glycol, and 0.4 mM sodium dodecyl sulfate (SDS), which meets the omniphobic criteria. The presence of ZnO Nps was confirmed by surface morphology from SEM and surface topography of AFM. The PZ3-PA membrane exhibited remarkable water flux of 7.64 L/m2h for 3 days of operation time under the presence of humic acid, crude oil, and SDS as fouling agent, and high salt rejection which is almost 100%. Therefore, omniphobic surface modification with the combination of ZnO Nps and palmitic acid is very promising, as it imparts excellent anti-wetting properties and desalination performance.

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引用次数: 0
Investigating the influence of rutile-Tio2 and MWCNTs composite on shale swelling and mechanical properties
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-11 DOI: 10.1007/s11696-025-03888-x
Shaine Mohammadali, Javed Haneef, Saud Hashmi

Efficiency of drilling fluid is the foremost step in the success of any drilling activity. Real-time surveillance of the properties of a drilling mud significantly impacts the efficiency and wellbore integrity. In this article, a crystal structure of TiO2 explicitly rutile was composited with multi-walled carbon nanotubes (MWCNTs). The limitations associated with TiO2 and MWCNTs such as high energy gap, rapid kinetics, agglomeration and dispersion substantially reduces once they are linked together, which eventually impacts the stability and properties of drilling fluid. Nevertheless, the specific crystal structure of TiO2 demonstrates inherent shortcoming stemming from its structural characteristics. To test the efficacy of the particles in the drilling mud, five mud samples with concentration of nanoparticles ranges between 0.35 and 3.5 g were prepared and investigated for the shale stability. These five samples were tested on the most problematic Ranikot shale gathered deep down from the Indus Basin. Excessive moisture content in the shale was the main factor that contributes heavily to the severe wellbore instability issues. According to the study results, it was observed that MWCNTs/rutile-TiO2 exhibited higher fluid loss volume. Moreover, MWCNTs/rutile-TiO2 mud started to dephase at a rapid pace, and completely loses its stability within 6 h of experimentation. The crystal structure of rutile, specifically its large grain size and low porosity, contribute to a decrease in surface area, thereby destabilizing the system. Furthermore, when the Ranikot shale pellets were exposed to MWCNTs/rutile-TiO2 mud in immersion testing, they were either completely broken down in pieces or suffered significantly from cracks and fracture. In addition, sample in linear dynamic swell meter also demonstrated high water intake with higher swelling behavior of 14.1% after 24 h. Also, the shale dissolved point was achieved at the 16 h of experiment. An earlier shale dissolved point will create problems like stuck pipe, caving, washouts and high cutting concentration within the wellbore. This will eventually impact the equivalent circulating density within the borehole.

钻井液的效率是任何钻井活动取得成功的首要步骤。对钻井泥浆性能的实时监控对钻井效率和井筒完整性有重大影响。在本文中,TiO2 的明确金红石晶体结构与多壁碳纳米管 (MWCNT) 复合。二氧化钛和多壁碳纳米管一旦连接在一起,其能隙大、动力学速度快、团聚和分散等相关局限性就会大大降低,最终影响钻井液的稳定性和性能。然而,TiO2 的特殊晶体结构显示出其结构特征所带来的固有缺陷。为了测试纳米颗粒在钻井泥浆中的功效,我们制备了五种纳米颗粒浓度在 0.35 至 3.5 克之间的泥浆样品,并对其页岩稳定性进行了研究。这五种泥浆样品是在印度河盆地深处最有问题的 Ranikot 页岩上进行测试的。页岩中水分含量过高是造成严重井筒不稳定问题的主要因素。研究结果表明,MWCNT/Rutile-TiO2 表现出较高的流体流失量。此外,MWCNTs/金红石-二氧化钛泥浆开始快速脱相,并在实验 6 小时内完全失去稳定性。金红石的晶体结构,特别是其较大的晶粒尺寸和较低的孔隙率,导致了表面积的减少,从而破坏了系统的稳定性。此外,在浸泡测试中,当 Ranikot 页岩颗粒暴露于 MWCNTs/金红石-二氧化钛泥浆时,它们要么完全碎裂,要么出现明显的裂纹和断裂。此外,样品在线性动态膨胀仪中也表现出较高的吸水率,24 小时后膨胀率达到 14.1%。较早的页岩溶解点会造成卡管、塌陷、冲刷和井筒内高切割浓度等问题。这最终会影响井眼内的等效循环密度。
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引用次数: 0
Synthesis of new benzothiazoles, benzoxazoles, and benzo [1, 3]-dithiols by Ullmann coupling of dihalobenzene and nitro compounds-heterocumulene adducts 通过二卤代苯与硝基化合物的乌尔曼偶联合成新的苯并噻唑、苯并恶唑和苯并 [1, 3] 二硫醇--杂茂烯加合物
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-10 DOI: 10.1007/s11696-024-03878-5
Manijeh Nematpour

In this contribution, a simple and fast method for the synthesis of various types of benzothiazoles, benzoxazoles, and benzo[1,3]-dithioles using Ullman coupling reaction of dihalobenzene and nitro-heterocumulene compounds in the vicinity of copper catalyst, Cs2CO3 as the base, and highly efficient was successfully implemented without the help of an additional ligand under ultrasound irradiation. The use of simple and readily available starting materials, mild copper-catalytic reaction conditions, no column chromatography, good yields, applying the sonochemical methodology, and short reaction times are remarkable specifications of this protocol.

Graphical abstract

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引用次数: 0
Spectroscopic insights into human serum albumin and PGSA dendrimer interactions: assessing bio-distribution efficiency
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-08 DOI: 10.1007/s11696-024-03876-7
M. Sureshkumar, S. Karthikeyan, Fathi Awad, P. Kanagaraj, M. Shanmugaraja, I. Manohara Babu

Understanding molecular interactions is essential for biologists to elucidate protein functions, behaviors, and predict related biological processes. Recent studies have concentrated on examining protein–nanoparticle interactions using various techniques to determine the biological effects of nanoparticles. Investigating dendrimers as potential drug delivery agents requires an understanding of their ability to bind small ligands. In this research, we thoroughly examined the interaction between human serum albumin (HSA) and biocompatible polymeric Phloroglucinol Succinic Acid (PGSA) dendrimers of different generations. Using spectroscopic analysis and molecular docking studies, we aimed to uncover the mechanisms behind PGSA dendrimer-HSA binding, which could enhance stability, half-life, and bio-distribution. Our results, obtained through UV-Visible spectroscopy, fluorescence spectroscopy, and molecular docking, indicate a predominantly ground state complex formation with a single binding site, mainly mediated by hydrogen bonding. This study highlights the importance of understanding polymeric nanoparticle–protein interactions in drug design to improve drug solubility and therapeutic efficacy. Additionally, our investigation into dendrimer-HSA interactions offers promising insights into bio-barrier permeability, potentially aiding in the treatment of brain tumors using dendritic structures.

了解分子相互作用对于生物学家阐明蛋白质功能、行为和预测相关生物过程至关重要。最近的研究主要集中在使用各种技术研究蛋白质-纳米粒子的相互作用,以确定纳米粒子的生物效应。研究树枝状聚合物作为潜在的药物输送剂,需要了解它们结合小配体的能力。在这项研究中,我们深入研究了人血清白蛋白(HSA)与不同代的生物相容性聚合物琥珀酸氯葡糖醇(PGSA)树枝状聚合物之间的相互作用。利用光谱分析和分子对接研究,我们旨在揭示 PGSA 树枝状聚合物与 HSA 结合背后的机制,从而提高稳定性、半衰期和生物分布。我们通过紫外-可见光谱、荧光光谱和分子对接获得的结果表明,PGSA 树枝状聚合物与单一结合位点形成的基态复合物占主导地位,主要由氢键介导。这项研究强调了在药物设计中了解聚合物纳米粒子与蛋白质相互作用对提高药物溶解度和疗效的重要性。此外,我们对树枝状聚合物-HSA 相互作用的研究为了解生物屏障的渗透性提供了前景广阔的见解,有可能有助于利用树枝状结构治疗脑肿瘤。
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引用次数: 0
A theoretical kinetic study of the methane’s hydrogen abstraction by chlorine at a large temperature range
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-08 DOI: 10.1007/s11696-024-03852-1
Salima Samai, Amani Direm, Cemal Parlak

The kinetics and mechanism of methane CH4 reaction with chlorine Cl atoms have been previously investigated using quantum theoretical calculations. In this study, we have investigated the hydrogen abstraction reaction by DFT using the CBS-QB3 method. Moreover, we have employed the Rice-Ramsperger-Kassel-Marcus theory to compute the rate constants of the reaction at a pressure of 1 atm and in the 295–1104 K temperature range. This study offers for the first time the theoretical mechanism and kinetic determination of the CH4 + Cl reaction, over a wide temperature interval, as well as its importance in the halogenation reaction. The obtained rate constant was found to be k(T) = 7.29 × 10‒19 × exp(‒287.65/T) cm3.molecule‒1.s‒1 and is in reasonable accord with that observed for CxHyCl, both theoretically and experimentally.

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引用次数: 0
Construction of Al (III) ion selective electrode based on BN@SnP composite and its real-life applications
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-06 DOI: 10.1007/s11696-024-03877-6
Sandeep Kumar, Sanjeev Kumar, Prakash Kanjariya, Bharti Kumari, Suhas Ballal, Avdhesh Kumar, Prit Pal Singh, Sandeep Kaushal

This study presents the fabrication and characterization of an Al(III) ion-selective electrode (ISE) using a novel BN@SnP composite. The composite, synthesized through a sol–gel process, integrates boron nitride (BN) nanoparticles into tin phosphate precipitates, exhibiting enhanced ion exchange capacity compared to individual inorganic counterparts. The resulting ion exchanger demonstrates selectivity towards Al (III) ions, forming the basis for constructing an ISE. The fabricated electrode exhibits a rapid response time of 10 s, a Nernstian slope of 22.05 mV decade−1, and a wide linear range spanning from 1.0 × 10⁻⁷ to 1.0 × 10−1 M. The electrode demonstrates a low limit of detection (LOD) of 7.5 × 10 −8M, highlighting its high sensitivity. The composite’s selectivity for Al (III) ions is confirmed through distribution coefficient studies, showcasing its preference over various metal ions. The chosen membrane for the electrode, M-3, exhibits optimal characteristics, including ideal thickness, high water content, and porosity. Comparative analysis with reported electrodes underscores the competitive performance of the proposed electrode. This research introduces a proficient ISE for Al (III) detection and sets the stage for future explorations in composite materials and their applications in biomedical monitoring, such as tracking aluminium levels in biological fluids for early diagnosis and management of neurological disorders, and environmental monitoring and analytical chemistry.

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引用次数: 0
3,5-Disubstituted-1H-pyrazoles: sequential syntheses from N-acylbenzotriazoles, alkynes, and hydrazine in ionic liquid
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-06 DOI: 10.1007/s11696-024-03880-x
Khalid Widyan

A new procedure that is free of copper and palladium has been developed for the sequential synthesis of 3,5-disubstituted-1H-pyrazoles using various N-acylbenzotriazoles, terminal alkynes, and hydrazine. In this process, N-acylbenzotriazoles react with terminal alkynes in 1-butyl-3-methyl-imidazolium tetrafluoroborate, catalyzed by zinc chloride, to produce α,β-unsaturated alkynones. These intermediates are then converted into pyrazoles through an in-situ reaction with hydrazine. Additionally, the ionic liquid can be recovered and reused without significant loss of efficiency.

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引用次数: 0
Structure-guided identification of potential MTH1 inhibitors from natural compounds: toward therapeutic targeting of oxidative DNA damage in cancer
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-06 DOI: 10.1007/s11696-024-03869-6
Aaliya Taiyab, Taj Mohammad, Md Nayab Sulaimani, Farah Anjum, Naved Azum, Anam Ashraf, Aanchal Rathi, Md. Imtaiyaz Hassan

Disrupted redox homeostasis and elevated ROS levels are linked to various diseases, including cancer and neurodegenerative disorders. MutT homolog 1 (MTH1) is a critical enzyme that protects against oxidative DNA damage by eliminating oxidized dNTPs. This study explored MTH1 as a drug target, screened 18,000 natural compounds from the IMMPAT library using structure-based drug design approaches. The most suitable candidates were identified through a rigorous process that included physicochemical and pharmacokinetic profiling, pan-assay interference compounds, and prediction of activity spectra for substances analysis (PASS). This screening process, designed to ensure the selection of most promising compounds, that were Vinburnine and Norstephalagine. These molecules demonstrated high binding affinity for MTH1 and exhibited favorable pharmacokinetic properties based on ADMET and PASS analyses. Detailed interaction analysis revealed that both Vinburnine and Norstephalagine effectively occupy the binding pocket of MTH1, engaging with its active site residues. Further molecular dynamics simulations confirmed the stability of the MTH1-Vinburnine and MTH1-Norstephalagine complexes, showing minimal structural deviations from the native MTH1 enzyme. This study also employed BAY-707 as a positive control and CID:11150163 as a negative control to validate the binding affinities and interaction profiles of the identified hits. In conclusion, our study identified Vinburnine and Norstephalagine as potent MTH1 inhibitors with significant potential for therapeutic development against cancer and other diseases associated with MTH1 dysfunction. These findings highlight these compounds as promising therapeutic candidates and provide a foundation for the rational design of future MTH1 inhibitors for the therapeutic targeting of cancer and neurodegenerative diseases.

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引用次数: 0
Enhancing colorimetric sensing efficiency of dipicolinic and phthalic acid through hydrogen bonding toward metal ions in aqueous medium
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2025-01-04 DOI: 10.1007/s11696-024-03868-7
Eman F. H. AL-Zaimoor, Ezzat Khan

Non-covalent organic heterosynthons show enhanced properties in contrast to their individual coformers, rendering them promising for various applications. Specifically, hydrogen-bonded heterosynthons have shown effective coordination behavior with diverse metal ions, hinting at their potential for rapid optical sensing. Their straightforward synthesis and the interactions between the coformers make them good candidates for detection purposes. While organic acid derivatives are well known for their effectiveness as potential sensing agents toward different water pollutants, there remains a significant gap in the literature regarding the efficiency of heterosynthons linked via hydrogen bonding in colorimetric sensing applications, particularly for metal ions in aqueous environmental matrices. Therefore, in this study, five hydrogen-bonded heterosynthons, phthalic acid/2-amino-3-methylpyridine 1, phthalic acid/imidazole 2, dipicolinic acid/pyrazole 3, dipicolinic acid/imidazole 4, and dipicolinic acid/2-amino-3-methylpyridine 5 of two distinct dicarboxylic acids were synthesized using slow evaporation method and characterized using FT-IR, UV–Vis, 1H-NMR, and PXRD spectroscopic techniques. Physical mixtures with different molar ratios using the same coformers were prepared through a grinding method. Binary phase diagrams were constructed, and FT-IR analysis was performed to propose the type of heterosynthons being formed. The colorimetric detection efficiency of the synthesized heterosynthons toward a wide range of metal ions was examined and compared to that of their individual acids. Interestingly, all heterosynthons demonstrated enhanced colorimetric sensing performance toward metal ions. However, dipicolinic acid/pyrazole 3 and dipicolinic acid/2-amino-3-methylpyridine 5 did not show any significant color change in the presence of Ni(II) in contrast to the pure acid. This could be enhanced by improving the structural conjugation of the prepared heterosynthons and accordingly intensifying the obtained color and enhancing the naked-eye colorimetric detection results.

Graphical abstract

非共价有机杂合成物与单独的共价合成物相比具有更强的特性,因此在各种应用中大有可为。具体来说,氢键杂合成体显示出与各种金属离子的有效配位行为,暗示了它们在快速光学传感方面的潜力。它们的直接合成和共聚物之间的相互作用使它们成为检测目的的理想候选物质。众所周知,有机酸衍生物可作为潜在的传感剂对不同的水污染物进行有效的传感,但关于通过氢键连接的杂合成体在比色传感应用中的效率,特别是对水环境基质中金属离子的传感效率,文献中仍然存在很大的空白。因此,在本研究中,五种氢键杂合成体,即邻苯二甲酸/2-氨基-3-甲基吡啶 1、邻苯二甲酸/咪唑 2、二icolinic acid/pyrazole 3、二icolinic acid/imidazole 4、采用缓慢蒸发法合成了两种不同二羧酸的二羧酸/2-氨基-3-甲基吡啶 5,并利用傅立叶变换红外光谱、紫外可见光谱、1H-核磁共振和 PXRD 光谱技术对其进行了表征。通过研磨法制备了使用相同共聚物的不同摩尔比的物理混合物。构建了二元相图,并进行了傅立叶变换红外光谱分析,以确定所形成的杂合成物的类型。研究了合成的杂合成体对多种金属离子的比色检测效率,并将其与单个酸的比色检测效率进行了比较。有趣的是,所有杂合成物对金属离子的比色感应性能都有所提高。然而,与纯酸相比,二吲哚啉酸/吡唑 3 和二吲哚啉酸/2-氨基-3-甲基吡啶 5 在 Ni(II)存在下没有显示出任何明显的颜色变化。这可以通过改善所制备的杂多蒽的结构共轭来加强,并相应地增强所获得的颜色和提高肉眼比色检测结果。
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引用次数: 0
Exploring the influential factors of granular fertilizer caking: a comprehensive review 粒状肥料结块的影响因素探讨:综述
IF 2.2 4区 化学 Q2 Engineering Pub Date : 2024-12-31 DOI: 10.1007/s11696-024-03856-x
A. Benzaouia, H. Belbsir, S. Kounbach, S. Laassiri, A. Laamaoui, R. Labiad, R. Benhida

The phenomenon of fertilizer caking has an impact on the commercial value of the final products. It can occur throughout the life cycle, including production, storage, transport and final agricultural application. Fertilizer caking leads to clumping and agglomeration and presents a significant challenge. This review comprehensively examines the mechanisms underlying granular fertilizer caking, focusing on the complex interactions at the granular level, particularly adhesive and phase contacts. These interactions, including solid–solid and solid–liquid contacts, are pivotal in the agglomeration process, with salt bridges from phase contacts being a critical factor in caking propensity. The review identifies numerous factors influencing fertilizer caking. Internal factors such as chemical composition, particle size, hardness, and moisture content, as well as external factors like weather fluctuations, pressure, storage duration, and the effectiveness of coating agents, profoundly affect caking behavior. By synthesizing existing literature, this work provides valuable insights into the multifaceted nature of granular fertilizer caking, elucidating the underlying mechanisms and factors involved. This review lays the groundwork for future research aimed at mitigating caking challenges in fertilizer production and storage.

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引用次数: 0
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