VOLUME 47, NO1, FEB-2025

Synthesis of Calcium Oxide Nanoparticles, its Characterization, Effect on Soil pH and Kinetic Evaluation in Acidic Solution

Synthesis of calcium oxide nanoparticles (CaO NPs), its characterization and kinetic evaluation with phosphite ion and soil sample in acidic solution was evaluated. CaO NPs was synthesized by thermal decomposition method at 850 0C for 6 hours using calcium carbonate (CaCO3) as the raw material. The CaO nanoparticle was characterized by the use of X-ray Diffraction (XRD) and Scanning Electron Microscope (SEM). The sharp peak of CaO NPs was found to be between 17.98o and 71.7o with average crystallized particle sizes of 27.43 ± 0.1. The morphology was found to be a flower shape with agglomeration. The pace of the reaction was explored under specific concentration of hydrogen ion [H+], ionic strenght (I), and λmax of 460 nm using spectrophotometric method. The stoichiometry of the reaction gave a mole ratio of 2:3 for PO33- to CaO NPs. The reaction is 1st - order in favour of CaO and 1st – order in favour of PO33-. Alteration of acid content decreased the pace of reaction. Addition of CaO NPs on the soil sample changed the pH from acidic to alkaline values ranging from 6.67 – 7.81. The administration of CaO NPs on acidic compound like soil will therefore improve the soil pH thereby boost the fertility of the soil. The experimental data showed that the reaction advanced via outer-sphere process.read more

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Patricia Ese Umoru, Yusuf Sahabi, Abdullahi Isah, Aminu Aliyu, and Ibrahim Dankane Bafarawa

Extraction of Phenolic Compounds from Wild Hemp Stem Using Superheated Water

The innovation of this study consists of using superheat water to extract phenols from Wild hemp stem leaves. First, the effects of three factors were explored on the yield of phenols, and the results showed that these three factors had a dual impact. Then, based on single-factor experiment results, the most significant yield was achieved by the implementation of the three-factor and three-level Box-Behnken design, and it was 84.78±1.24 mg of gallic acid equivalents under optimal conditions (197 ℃, 43 min, 21 mL/g). In addition, quinic and rosmarinic acids were the main components of phenols by liquid chromatography-mass spectrometry analysis. The outcomes of three distinct extraction procedures—ethanol, hot water, and superheat water—were ultimately evaluated. Both extracts' phenolic yield and antioxidant activity (scavenging capacity, ferric reducing power) by superheat water extraction was higher than by water extraction and ethanol extraction. Therefore, extracting phenols from Wild hemp stems by superheating water is feasibleread more

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Jianhui Zhang, Xuexue Pan, Jin Chen, Valery Wilfried Nguemdjo Chimeze

DFT-Based Quantum Mechanical and Molecular Docking Investigation of Synthesized Flavokawain B and Its Derivatives

Flavokawain B (FKB) is a naturally occurring chalcone that exhibits potential anti-cancer properties. Density functional theory (DFT) is a computational simulation approach used to investigate the electronic properties of molecules. Here, we investigated the structural-activity relationship and optoelectronic properties of naturally occurring chalcones; FKB and their derivatives named (E)-3’-(2’-fluorophenyl)-1’-(2’-hydroxy-4',6'-dimethoxyphenyl)prop-2-en-1-one (KG1), (E)-3'-(2'-chlorophenyl)-1'-(2-hydroxy-4',6'-dimethoxyphenyl)prop-2-en-1-one (KG2), (E)-3'-(4'-bromophenyl)-1'-(2'-hydroxy-4',6'-dimethoxyphenyl)prop-2-en-1-one (KG3), (E)-3'-(4'-fluorophenyl)-1'-(2'-hydroxy-4',6'-dimethoxyphenyl)prop-2-en-1-one (KG4), and (E)-1'-(2'-hydroxy-4',6'-dimethoxyphenyl)-3'-(3-nitrophenyl)prop-2-en-1-one (KG5) were used for computational approaches. The substituents in the acceptor moiety of derivatives were ortho F (KG1), ortho Cl (KG2), para Br (KG3), meta F (KG4), and meta nitro (KG5), respectively. The findings evaluated that the KG5 molecule showed excellent redshift (406 nm), the lowest excitation of 3.05 eV, lower HOMO of -6.25eV, LUMO of -2.82eV and a lower bandgap of 3.43eV. KG5 has a lower binding energy of 0.38eV, and electron mobility of 0.0206eV leading toward greater charge transference. The finding results showed that the presence of strong electron-withdrawing (KG5) on ring B in the FKB derivatives could make it an active site to attach the different types of proteins, which leads to becoming a potential bioactive compound. FKB and its derivatives were synthesized by our research group. These findings suggested that the KG5 molecule could be the best among all the derivatives and can be used for different biological assays.read more

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Saira Khan, Muhammad Nadeem Akhtar, Seema Zareen, Syeda Saba Hassan, Farhan Siddique, Sumaira Nadeem, Hijab Zainab and Saima Riffat

Synthetic Modification and HAPs Generation Activity of Environmental Benign Citrate, Gallate/Chitosan Intercalated Mg Al-Layered Double Hydroxides (LDHs) for Biomedical Engineering Applications

Nowadays, biocompatible, and cost-effective material design is one of interesting fields in biological process. In this regard, Magnesium/Aluminum Layered Double Hydroxides (Mg/Al LDHs) synthesized and fabricated with environmental benign anions was investigated like Citrate and Gallate. Furthermore, these modified Mg/Al LDHs were treated with chitosan in order to increase the biocompatibility of the compounds. The Fourier-Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), Energy dispersive X-ray (EDX) and X-ray Diffraction (XRD) analysis confirmed that modification has done successfully. In FTIR the peaks appeared in the range of 3441 cm-1 to 3380 cm-1 were attributed as acidic OH- . Whereas, the metal oxide peaks appeared below 1000 cm-1 showing the successfully intrusion of anions. Moreover, the plate like structure in SEM analysis also confirmed the successful modification of anions. The presence of elemental peaks through EDX including: Ca, P, N as well as Mg, Al and the gap between these layers calculated through XRD endorsed the intercalation of anions in LDHs. The thermal stability profile revealed that the thermal stability of modified Mg/Al LDHs has decreased than pure Mg/Al LDHs due to incorporation of organic segments. These synthetically modified Mg/Al LDHs were evaluated for their Hydroxyapatites [Ca10 (OH) 2 (PO4)6] generation ability in Simulated Body Fluid (SBF) at pH 7.4. The results showed that the modified Mg/Al LDHs have significant Hydroxyapatites (HAPs) generation ability. Moreover, the citrate intercalated LDH showed remarkable bioactivity in term of HAPs generation. Therefore, these modified Mg/Al LDHs have excellent capability to utilize these compounds in various fields like: bone and teeth additives, implant materials as well as bone- tissue engineering.read more

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Sehar Zahid, Waqas Jamil, Mouhammad Taha, Javeria Shaikh and Khalid Mohammad Khan

Development and Characterization of Sr-Dextrin-Based Metal Organic Frameworks for Enhanced Catalytic Applications

This study presents the synthesis, structural characterization, and application potential of strontium-dextrin metal-organic frameworks (Sr-MOFs) using a single-step crystallization mechanism. In the synthesis process, the Sr atom functions as a pivotal connecting node, directly bonding with both carbon atoms and the organic linker to form the framework. The reaction between the organic linker and the corresponding strontium bromide precursor yields brown crystalline Sr-MOFs. Following synthesis, the crystals were collected, characterized, and evaluated for their thermal stability, solubility, and potential applications. Solubility tests indicated moderate dissolution in common organic solvents, facilitating further processing and application. Thermal analysis revealed that these Sr-MOFs remain stable in air up to 463 K, highlighting their suitability for high-temperature applications. This work underscores the potential of Sr-MOFs as versatile, thermally stable materials, expanding the utility of MOFs in fields that require biocompatible and robust structural frameworks.read more

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Muhammad Junaid, Muhammad Amjad Riaz, Abdul Qadir Ahmad, Asif Qayyum, Mahmood Basil A. AL-Rawi, Mohd Arif Dar

Synthesis, Photoelectrochemical and Aggregation Properties of Two New 8-hydroxyquinoline Derivatives

Two new 8-hydroxyquinoline (8-HQ) derivatives, namely 5-((4-chlorobenzene) diazene) -8-hydroxyquinoline (N-HQ) and 5-((4-chlorobenzene) methylene amino) -8-hydroxyquinoline (C-HQ), were designed and synthesized. Their structures were characterized by 1H NMR, 13C NMR, FT-IR and HR-MS. Their physical and photoelectrochemical properties were studied by absorption, emission, electrochemistry and thermog ravimetry. In addition, the gaussian program was used to calculate the geometric configurations of the two derivatives. Since N-HQ has an approximate planar configuration, it is packed in a highly ordered molecule packing in the solid state. However, there is a transverse offset between adjacent C-HQ molecules. The results show that the subtle difference of molecular structure can have a great influence on the properties of 8-HQ derivatives. This study also explored the application potential of C-HQ in fluorine ion fluorescence detection.read more

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Xueling Zheng

A Brief Review of the Latest Developments in Hydro-Desulfurization Catalysts Based on Transition Metal Sulfides for the Generation of Diesel with an Extremely Low Level of Sulfur Content

This review paper examines the efficiency of hydro-desulfurization catalysts in removing sulfur compounds from fuels. Specifically, the focus is on bi- and tri-metallic catalysts based on transition metal sulfides (TMS), such as Ni/Co-promoted Mo and W, which effectively eliminate sulfur from challenging compounds present in fuels. The paper is divided into three main sections, each addressing the production of diesel fuel with extremely low sulfur levels using these catalysts. The first section discusses supported catalysts, followed by self-supported or unsupported catalysts, and concludes with a brief overview of theoretical studies. Various factors that can affect the sulfur removal capacity of these catalysts are explored, including the influence of the support material, the use of inorganic and organic additives, and the preparation methods for unsupported catalysts. Based on the review, it is concluded that new experimental and theoretical approaches are necessary to enhance the hydro-desulfurization effectiveness of both supported and unsupported transition metal sulfide catalysts. These advancements are essential to meet the increasingly stringent regulations anticipated for ultra-low sulfur fuels in the future.read more

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Aymen F. Zwain, Zaidoon M. Shakor and Bashir Y. Al-Zaidi

Problem State of Obtaining, Structure Modification and Application of Polymer Nanocomposites: A Review

This article is a review of minerals that are used to modify the physical and mechanical properties of polymers and obtain composites with improved performance characteristics. A general classification of fillers is presented, taking into account their division into dispersed and reinforcing ones. General characteristics of fillers are given and their division into groups is considered: mineral, organic, and other subgroups depending on the type of polymer matrix used. To obtain polymer nanocomposite materials with an improved set of properties, information is provided on the features of selecting substances and materials for the purpose of their use as fillers. A unique possibility of modifying the surface of the fillers themselves by dressing and with organosilicon compounds is demonstrated, which makes it possible to obtain hybrid composite materials with improved physical and mechanical characteristics on their basis. The probable mechanism of the formation of organic-inorganic hybrid nanocomposites based on polyolefins and mineral fillers is considered. Unique characteristics and features of the structure and properties of nanostructured materials are presented. The results of their implementation in various fields of technology are described. Technological features of obtaining and processing structural nanomaterials are presented. The main technological factors influencing the properties of polymer composite materials during their processing by injection molding and extrusion methods are indicated. The main types of polymer matrices and nanofillers intended for obtaining composite materials with specified performance properties are listed. The main promising directions of mechanical-chemical synthesis and practical use of nanocomposites are noted.read more

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Rena Gurbanova, Najaf Kakhramanov, Elmira Suleymanova and Irada Asadova