Geopolymers are synthesized by alkali or acid activation of aluminosilicate materials. This paper critically reviews the synthesis kinetics and formation mechanism of geopolymers. A variety of mechanistic tools such as Environmental Scanning Electron Microscopy (ESEM) and in situ Energy Dispersive X-ray diffractometry (EDXRD), in situ Isothermal Conduction Calorimetry (ICC), in situ Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR), 1H low-field Nuclear Magnetic Resonance (NMR) and Isothermal Conduction Calorimetry (ISC), and others and phenomenological models such as the John-Mehl-Avrami-Kolmogorov (JMAK) model, modified Jandar model, and exponential and Knudson linear dispersion models were used to study the geopolymerization kinetics and many mechanisms were proposed for the synthesis of geopolymers. The mechanistic tools and phenomenological models provided new insights about geopolymerization kinetics and formation mechanisms but each of the techniques used possesses some limitations. These limitations need to be removed and new methods or techniques must be developed to overcome these challenges and get more detailed information about all types of geopolymers. The formation mechanism consists of three to four stages such as dissolution of raw materials, polymerization of silica and alumina, condensation, and reorganization. The Si/Al ratio above the Si/Al ratio of reactants is more suitable and it increases the rate or degree of reaction and produces a higher compressive strength geopolymer. The Na/Al ratio of 1, water-to-solid (W/S) ratio of 0.30-0.45, a temperature in the range of 30 °C to 85 °C, and a curing time of 24 hours are the best for the synthesis of geopolymers. The growing demand for geopolymers in various fields requires the development of new advanced techniques for further understanding of kinetics and mechanisms for tailoring the properties of geopolymers for specific applications.
Chalcone derivatives are an extremely valuable class of compounds, primarily due to the keto-ethylenic group, CO-CH[double bond, length as m-dash]CH-, they contain. Moreover, the presence of a reactive α,β-unsaturated carbonyl group confers upon them a broad range of pharmacological properties. Recent developments in heterocyclic chemistry have led to the synthesis of chalcone derivatives, which have been biologically investigated for their activity against certain diseases. In this study, we investigated the binding of new chalcone derivatives with COX-2 (cyclooxygenase-2) and HSA (Human Serum Albumin) using spectroscopic and molecular modeling studies. COX-2 is commonly found in cancer and plays a role in the production of prostaglandin E (2), which can help tumors grow by binding to receptors. HSA is the most abundant protein in blood plasma, and it transports various compounds, including hormones and fatty acids. The conformation of chalcone derivatives in the HSA complex system was established through fluorescence steady and excited state spectroscopy techniques and FTIR analyses. To gain a more comprehensive understanding, molecular docking, and dynamics were conducted on the target protein (COX-2) and transport protein (HSA). In addition, we conducted density-functional theory (DFT) and single-point DFT to understand intermolecular interaction in protein active sites.
Stimuli responsiveness has been an attractive feature of smart material design, wherein the chemical and physical properties of the material can be varied in response to small environmental change. Polyurethane (PU), a widely used synthetic polymer can be upgraded into a light-responsive smart polymer by introducing a light-sensitive moiety into the polymer matrix. For instance, azobenzene, spiropyran, and coumarin result in reversible light-induced reactions, while o-nitrobenzyl can result in irreversible light-induced reactions. These variations of light-stimulus properties endow PU with wide ranges of physical, mechanical, and chemical changes upon exposure to different wavelengths of light. PU responsiveness has rarely been reviewed even though it is known to be one of the most versatile polymers with diverse ranges of applications in household, automotive, electronic, construction, medical, and biomedical industries. This review focuses on the classes of light-responsive moieties used in PU systems, their synthesis, and the response mechanism of light-responsive PU-based materials, which also include dual- or multi-responsive light-responsive PU systems. The advantages and limitations of light-responsive PU are reviewed and challenges in the development of light-responsive PU are discussed.
The blending of additives in the polyethersulfone (PES) matrix is an important approach in the membrane industry to reduce membrane hydrophobicity and improve the performance (flux, solute rejection, and reduction of fouling). Several (hydrophilic) modifications of the PES membrane have been developed. Given the importance of the hydrophilic modification methods for PES membranes and their applications, we decided to dedicate this review solely to this topic. The types of additives embedded into the PES matrix can be divided into two main categories: (i) polymers and (ii) inorganic nanoparticles (NPs). The introduced polymers include polyvinylpyrrolidone, chitosan, polyamide, polyethylene oxide, and polyethylene glycol. The introduced nanoparticles discussed include titanium, iron, aluminum, silver, zirconium, silica, magnesium based NPs, carbon, and halloysite nanotubes. In addition, the applications of hydrophilic PES membranes are also reviewed. Reviewing the research progress in the hydrophilic modification of PES membranes is necessary and imperative to provide more insights for their future development and perhaps to open the door to extend their applications to other more challenging areas.
Water scarcity and the accumulation of recalcitrance compounds into the environment are the main reasons behind the attraction of researchers to use advanced oxidation processes (AOPs). Many AOP systems have been used to treat acetaminophen (ACT) from an aqueous medium, which leads to generating different kinetics, mechanisms, and by-products. In this work, state-of-the-art studies on ACT by-products and their biotoxicity, as well as proposed degradation pathways, have been collected, organized, and summarized. In addition, the Fukui function was used for predicting the most reactive sites in the ACT molecule. The most frequently detected by-products in this review were hydroquinone, 1,4-benzoquinone, 4-aminophenol, acetamide, oxalic acid, formic acid, acetic acid, 1,2,4-trihydroxy benzene, and maleic acid. Both the experimental and prediction tests revealed that N-(3,4-dihydroxy phenyl) acetamide was mutagenic. Meanwhile, N-(2,4-dihydroxy phenyl) acetamide and malonic acid were only found to be mutagenic in the prediction test. The findings of the LC50 (96 h) test revealed that benzaldehyde is the most toxic ACT by-products and hydroquinone, N-(3,4-dihydroxyphenyl)formamide, 4-methylbenzene-1,2-diol, benzoquinone, 4-aminophenol, benzoic acid, 1,2,4-trihydroxybenzene, 4-nitrophenol, and 4-aminobenzene-1,2-diol considered harmful. The release of them into the environment without treatment may threaten the ecosystem. The degradation pathway based on the computational method was matched with the majority of ACT proposed pathways and with the most frequent ACT by-products. This study may contribute to enhance the degradation of ACT by AOP systems.
The present review covers the regeneration capacity and adsorption efficiency of different adsorbents for the treatment of industrial dyes to control water pollution. Various techniques and materials have been employed to remove organic pollutants from water; however, adsorption techniques using cost-effective, ecofriendly, clay-supported adsorbents are widely used owing to their simplicity and good efficiency. Among all the natural adsorbents, activated carbon has been found to be the most effective for dye adsorption; however, its use is restricted due to its high regeneration cost. Clays and modified clay-based adsorbents are the most efficient clarifying agents for organic pollutants as compared to activated carbon, organic/inorganic, and composite materials. Regeneration is an important aspect to stimulate the adsorption efficiency of the exhausted/spent adsorbent for water treatment. A number of techniques, including chemical treatment, supercritical extraction, thermal, and photocatalytic and biological degradation, have been developed to regenerate spent or dye-adsorbed clays. This review discusses how these techniques enhance the adsorption and retention potential of spent low-cost adsorbents and reflects on the future perspectives for their use in wastewater treatment.
Chemical contaminants such as heavy metals, dyes, and organic oils seriously affect the environment and threaten human health. About 2 million tons of waste is released every day into the water system. Heavy metals are the largest contributor which cover about 31% of the total composition of water contaminants. Every day, approximately 14 000 people die due to environmental exposure to selected chemicals. Removal of these contaminants down to safe levels is expensive, high energy and unsustainable by current approaches such as oxidation, biodegradation, photocatalysis, precipitation, reverse osmosis and adsorption. A combination of biosorption and nanotechnology offers a new way to remediate these chemical contaminants. Nanostructured materials are proven to have higher adsorption capacities than the same material in its larger-scale form. Nanocellulose is very promising as a high-performance bioadsorbent due to its interesting characteristics of high adsorption capacity, high mechanical strength, hydrophilic surface chemistry, renewability and biodegradability. It has been proven to have higher adsorption capacity and better binding affinity than other similar materials at the macroscale. The high specific surface area and abundance of hydroxyl groups within lead to the possible functionalization of this material for decontamination purposes. Several research papers have shown the effectiveness of nanocellulose in the remediation of chemical contaminants. This review aims to provide an overview of the most recent developments regarding nanocellulose as an adsorbent for chemical contamination remediation. Recent advancements regarding the modification of nanocellulose to enhance its adsorption efficiency towards heavy metals, dyes and organic oils were highlighted. Moreover, the desorption capability and environmental issue related to every developed nanocellulose-based adsorbent were also tackled.
Psoriasis is a lingering inflammatory skin disease that attacks the immune system. The abnormal interactions between T cells, immune cells, and inflammatory cytokines causing the epidermal thickening. International guidelines have recommended topical treatments for mild to moderate psoriasis whilst systemic and phototherapy treatments for moderate to severe psoriasis. However, current therapeutic approaches have a wider extent to treat moderate to severe type of psoriasis especially since the emergence of diverse biologic agents. In the meantime, topical delivery of conventional treatments has prompted many unsatisfactory effects to penetrate through the skin (stratum corneum). By understanding the physiology of stratum corneum barrier functions, scientists have developed different types of lipid-based nanoparticles like solid lipid nanoparticles, nanostructured lipid carriers, nanovesicles, and nanoemulsions. These novel drug delivery systems help the poorly solubilised active pharmaceutical ingredient reaches the targeted site seamlessly because of the bioavailability feature of the nanosized molecules. Lipid-based nanoparticles for psoriasis treatments create a paradigm for topical drug delivery due to their lipids' amphiphilic feature to efficiently encapsulate both lipophilic and hydrophilic drugs. This review highlights different types of lipid-based nanoparticles and their recent works of nano formulated psoriasis treatments. The encapsulation of psoriasis drugs through lipid nanocarriers unfold numerous research opportunities in pharmaceutical applications but also draw challenges for the future development of nano drugs.
Environmental heavy metal ions (HMIs) accumulate in living organisms and cause various diseases. Metal-organic frameworks (MOFs) have proven to be promising and effective materials for removing heavy metal ions from contaminated water because of their high porosity, remarkable physical and chemical properties, and high specific surface area. MOFs are self-assembling metal ions or clusters with organic linkers. Metals are used as dowel pins to build two-dimensional or three-dimensional frameworks, and organic linkers serve as carriers. Modern research has mainly focused on designing MOFs-based materials with improved adsorption and separation properties. In this review, for the first time, an in-depth look at the use of MOFs nanofiber materials for HMIs removal applications is provided. This review will focus on the synthesis, properties, and recent advances and provide an understanding of the opportunities and challenges that will arise in the synthesis of future MOFs-nanofiber composites in this area. MOFs decorated on nanofibers possess rapid adsorption kinetics, a high adsorption capacity, excellent selectivity, and good reusability. In addition, the substantial adsorption capacities are mainly due to interactions between the target ions and functional binding groups on the MOFs-nanofiber composites and the highly ordered porous structure.
3D-printing or additive manufacturing is presently an emerging technology in the fourth industrial revolution that promises to reshape traditional manufacturing processes. The electrochemistry field can undoubtedly take advantage of this technology to fabricate electrodes to create a new generation of electrode sensor devices that could replace conventionally manufactured electrodes; glassy carbon, screen-printed carbon and carbon composite electrodes. In the electrochemistry research area, studies to date show that there is a demand for electrically 3D printable conductive polymer/carbon nanomaterial filaments where these materials can be printed out through an extrusion process based upon the fused deposition modelling (FDM) method. FDM could be used to manufacture novel electrochemical 3D printed electrode sensing devices for electrochemical sensor and biosensor applications. This is due to the FDM method being the most affordable 3D printing technique since conductive and non-conductive thermoplastic filaments are commercially available. Therefore, in this minireview, we focus on only the most outstanding studies that have been published since 2018. We believe this to be a highly-valuable research area to the scientific community, both in academia and industry, to enable novel ideas, materials, designs and methods relating to electroanalytical sensing devices to be generated. This approach has the potential to create a new generation of electrochemical sensing devices based upon additive manufacturing. This minireview also provides insight into how the research community could improve the electrochemical performance of 3D-printed electrodes to significantly increase the sensitivity of the 3D-printed electrodes as electrode sensing devices.
There is increasing concern regarding alleviating world energy demand by determining an alternative to petroleum-derived fuels due to the rapid depletion of fossil fuels, rapid population growth, and urbanization. Biodiesel can be utilized as an alternative fuel to petroleum-derived diesel for the combustion engine. At present, edible crops are the primary source of biodiesel production. However, the excessive utilization of these edible crops for large-scale biodiesel production might cause food supply depletion and economic imbalance. Moreover, the utilization of edible oil as a biodiesel feedstock increases biodiesel production costs due to the high price of edible oils. A possible solution to overcome the existing limitations of biodiesel production is to utilize non-edible crops oil as a feedstock. The present study was conducted to determine the possibility and challenges of utilizing non-edible oil as a potential feedstock for biodiesel production. Several aspects related to non-edible oil as a biodiesel feedstock such as overview of biodiesel feedstocks, non-edible oil resources, non-edible oil extraction technology, its physicochemical and fatty acid properties, biodiesel production technologies, advantages and limitation of using non-edible oil as a feedstock for biodiesel production have been reviewed in various recent publications. The finding of the present study reveals that there is a huge opportunity to utilize non-edible oil as a feedstock for biodiesel production.
To consider silver nanoparticles (AgNPs) as a colorimetric sensor for H2O2 we require investigation of the effects of the homogeneity of the nanoparticle size and morphology on the sensor parameters. Uniformly-sized Ag nanoparticles with diameters of ∼18.8 ± 2.8 nm were produced using microwave irradiation (AgNP1) but non-uniform particles with diameters of ∼71.2 ± 19.4 nm (AgNP2) were formed without microwave irradiation. Microwave synthesis produced AgNP1 with superiority in terms of repeatability, selectivity and sensor stability for up to eight months of storage over AgNP2. AgNP1 exhibited higher sensitivity and detection limits in the working range of 0.01-40000 μM as compared to AgNP2. The application of the AgNP sensor to milk samples provided recovery values of 99.09-100.56% for AgNP1 and 98.18-101.90% for AgNP2. Microwave irradiation resulted in strong and uniform PVP-Ag interactions for isotropic growth into small nanoparticles. Size and morphology uniformity determined the characteristics of the AgNP sensor that can be applied for H2O2 detection in a wide range of concentrations and real-time evaluation, with the potential for industrial applications.
The current pharmacotherapies for Alzheimer's disease (AD) demonstrate limited efficacy and are associated with various side effects, highlighting the need for novel therapeutic agents. Natural products, particularly from medicinal plants, have emerged as a significant source of potential neuroprotective compounds. In this context, Cissampelos capensis L.f., renowned for its medicinal properties, has recently yielded three new proaporphine alkaloids; cissamaline, cissamanine, and cissamdine. Despite their promising bioactive profiles, the biological targets of these alkaloids in the context of AD have remained unexplored. This study undertakes a comprehensive in silico examination of the binding affinity and molecular interactions of these alkaloids with human protein targets implicated in AD. The drug likeness and ADME analyses indicate favorable pharmacokinetic profiles for these compounds, suggesting their potential efficacy in targeting the central nervous system. Molecular docking studies indicate that cissamaline, cissamanine, and cissamdine interact with key AD-associated proteins. These interactions are comparable to, or in some aspects slightly less potent than, those observed with established AD drugs, highlighting their potential as novel therapeutic agents for Alzheimer's disease. Crucially, Density Functional Theory (DFT) calculations offer deep insights into the electronic and energetic characteristics of these alkaloids. These calculations reveal distinct electronic properties, with differences in total energy, binding energy, HOMO-LUMO gaps, dipole moments, and electrophilicity indices. Such variations suggest unique reactivity profiles and molecular stability, pertinent to their pharmacological potential. Moreover, Molecular Electrostatic Potential (MEP) analyses provide visual representations of the electrostatic characteristics of these alkaloids. The analyses highlight areas prone to electrophilic and nucleophilic attacks, indicating their potential for specific biochemical interactions. This combination of DFT and MEP results elucidates the intricate electronic, energetic, and electrostatic properties of these compounds, underpinning their promise as AD therapeutic agents. The in silico findings of this study shed light on the promising potential of cissamaline, cissamanine, and cissamdine as agents for AD treatment. However, further in vitro and in vivo studies are necessary to validate these theoretical predictions and to understand the precise mechanisms through which these alkaloids may exert their therapeutic effects.
The application of novel one-dimensional (1D) architectures in the field of energy storage has fascinated researchers for a long time. The fast-paced technological advancements require reliable rapid synthesis techniques for the development of various Multi-metal oxide (MMO) nanostructures. For the first time, we report the synthesis of a single-phase hierarchical one-dimensional (1D) branched BiVO4-Reduced Graphene Oxide (BVONB/RGO) nanocomposite with different weight percent variations of RGO starting from 6, 12, 24, and 26 wt% using the supercritical water method (SCW). The affirmation of the sample characteristics is done through various nano-characterization tools that help in establishing the monoclinic crystal structure, and nano branch morphology along with its physical, and thermal characteristics. Further, the electrochemical behavior evaluations of the fabricated coin cells provide insights into the well-known superior initial cycle capacity of around 810 mA h g-1, showing the superior ability of BVONB structures in storing lithium-ions (Li-ions). Meanwhile, an improved cyclic performance of the pure BVONB/RGO with 260 mA h g-1 is evident after 50 cycles. Finally, the reported rapid single-pot SCW approach has delivered promising results in establishing a material process technique for multimetal oxides and their RGO nanocomposites successfully.
New phenylisoxazole quinoxalin-2-amine hybrids 5a-i were successfully synthesised with yields of 53-85% and characterised with various spectroscopy methods. The synthesised hybrids underwent in vitro α-amylase and α-glucosidase inhibitory assays, with acarbose as the positive control. Through the biological study, compound 5h exhibits the highest α-amylase inhibitory activity with IC50 = 16.4 ± 0.1 μM while compounds 5a-c, 5e and 5h exhibit great potential as α-glucosidase inhibitors, with 5c being the most potent (IC50 = 15.2 ± 0.3 μM). Among the compounds, 5h exhibits potential as a dual inhibitor for both α-amylase (IC50 = 16.4 ± 0.1 μM) and α-glucosidase (IC50 = 31.6 ± 0.4 μM) enzymes. Through the molecular docking studies, the inhibition potential of the selected compounds is supported. Compound 5h showed important interactions with α-amylase enzyme active sites and exhibited the highest binding energy of -8.9 ± 0.10 kcal mol-1, while compound 5c exhibited the highest binding energy of -9.0 ± 0.20 kcal mol-1 by forming important interactions with the α-glucosidase enzyme active sites. The molecular dynamics study showed that the selected compounds exhibited relative stability when binding with α-amylase and α-glucosidase enzymes. Additionally, compound 5h demonstrated a similar pattern of motion and mechanism of action as the commercially available miglitol.
Umami peptides are new ingredients for the condiment and seasoning industries, with healthy and nutrition characteristics, some of which were identified from aquatic proteins. This study aims to further explore novel umami peptides from Atlantic cod (Gadus morhua) by combining in silico, nano-HPLC-MS/MS, sensory evaluation, and electronic tongue analysis. Two novel peptides, Leu-Val-Asp-Lys-Leu (LVDKL) and Glu-Ser-Lys-Ile-Leu (ESKIL), from the myosin heavy chain of Atlantic cod (Gadus morhua), were screened and confirmed to have strong umami tastes with the thresholds of 0.427 mM and 0.574 mM, respectively. The molecular docking was adopted to explore the interactions between the umami peptides and the umami taste receptor T1R1/T1R3, which showed that the umami peptides interacted with T1R1/T1R3 mainly by electrostatic interaction, hydrogen bond interaction, and hydrophobic interaction. Furthermore, the physicochemical properties of the peptides were investigated by in silico methods and cell viability experiments. This study will provide a better understanding of the umami taste in Atlantic cod and will promote the development of condiments and seasonings.
CO2 storage as hydrates in porous media is a promising method for storing carbon dioxide (CO2). However, the sluggish formation kinetics of hydrates urge the need to focus on the use of additives (promoters) to accelerate hydrate kinetics. This study investigates the effect of amino acid solutions in brine on CO2 hydrate formation and dissociation kinetics in quartz sand particles QS-2 (0.6-0.8 mm) with 38% porosity. The amino acids l-methionine (l-meth), l-isoleucine (l-iso), and l-threonine (l-threo) were studied at 0.2 wt% using an autoclave hydrate reactor at 4 MPa and 274.15 K in the presence and absence of salt (3.3 wt% NaCl) in 100% water saturation. The hydrate dissociation kinetics was studied at a temperature of 277.15 K. These conditions represent the normal seabed temperature range in Malaysia and hence were used for testing CO2 hydrate formation and dissociation kinetics in quartz sand in this study. Further, CO2 hydrate formation and dissociation experiments were conducted with sodium dodecyl sulphate (SDS) and brine systems as standards for comparison. The findings reveal the best kinetics for l-meth exhibiting the highest CO2 hydrate storage capacity. l-meth recorded a gas-to-hydrate conversion ratio of about 93% at 0.2 wt% in quartz sand with brine. Moreover, l-meth exhibited the lowest hydrate dissociation rate compared to l-iso and l-threo systems, thereby enhancing CO2 hydrate stability in quartz sand. Comparatively, l-meth enhanced the storage capacity by 36% and reduced the induction time by more than 50% compared to conventional promoter SDS in quartz sand with brine, suggesting it to be favorable for CO2 storage applications. CO2 hydrate nucleation time was predicted in quartz sand with and without the best-studied amino acid l-meth system with high prediction accuracy and an absolute average deviation of 2.4 hours. The findings of this study substantiate the influence of amino acids in promoting the storage capacity of CO2 in sediments as hydrates.
The transition from conventional polyurethane (PU) to non isocyanate polyurethane (NIPU) is driven mainly by safety concerns, environmental considerations, and sustainability issues associated with the current PU technology. NIPU has emerged as a promising alternative, addressing limitations related to traditional PU production. There has been increasing interest in bio-based NIPU aligning with the aspiration for green materials and processes. One important biomass resource for the development of bio-based NIPU is vegetable oil, an abundant, renewable, and relatively low cost feedstock. As such, this review aims to provide insight into the progression of NIPU derived from vegetable oils. This article highlights the synthetic and green approach to NIPU production, emphasizing the method involving the polyaddition reaction of cyclic carbonates and amines. The review includes case studies on vegetable oil-based NIPU and perspectives on their properties. Further, discussions on the potential applications and commercial importance of PU and NIPU are included. Finally, we offer perspectives on possible research directions and the future prospects of NIPU, contributing to the ongoing evolution of PU technology.
Carbon nanotubes (CNTs) have been recognised as a promising material in a wide range of applications, from safety to energy-related devices. However, poor solubility in aqueous and organic solvents has hindered the utilisation and applications of carbon nanotubes. As studies progressed, the methodology for CNTs dispersion was established. The current state of research in CNTs either single wall or multiwall/polymer nanocomposites has been reviewed in context with the various types of functionalisation presently employed. Functionalised CNTs have been playing an increasingly central role in the research, development, and application of carbon nanotube-based nanomaterials and systems. The extremely high surface-to-volume ratio, geometry, and hollow structure of nanomaterials are ideal for the adsorption of gas molecules. This offers great potential applications, such as in gas sensor devices working at room temperature. Particularly, the advent of CNTs has fuelled the invention of CNT-based gas sensors which are very sensitive to the surrounding environment. The presence of O2, NH3, NO2 gases and many other chemicals and molecules can either donate or accept electrons, resulting in an alteration of the overall conductivity. Such properties make CNTs ideal for nano-scale gas-sensing materials. Conductive-based devices have already been demonstrated as gas sensors. However, CNTs still have certain limitations for gas sensor application, such as a long recovery time, limited gas detection, and weakness to humidity and other gases. Therefore, the nanocomposites of interest consisting of polymer and CNTs have received a great deal of attention for gas-sensing application due to higher sensitivity over a wide range of gas concentrations at room temperature compared to only using CNTs and the polymer of interest separately.