Correction: Azam et al. Heavy Metal Ions Removal from Aqueous Solutions by Treated Ajwa Date Pits: Kinetic, Isotherm, and Thermodynamic Approach. 2022, , 914.

In the original publication, there was a mistake in Figure 2B as the wrong image was uploaded [...

X-ray radiation shielding and microscopic studies of flexible and moldable bandage by synthesized cerium oxide nanoparticles/MWCNTS nanocomposite for healthcare applications.

This research reports a robust method for developing advanced flexible and moldable X-ray shielding bandages by harnessing an synthesized polygonal cerium oxide nanoparticles/MWCNTs nanocomposite. The developed advanced hybrid nanocomposite was thoroughly blended with silicone rubber, namely polydimethylsiloxane (PDMS) to form an advanced hybrid gel which was then coated on a conventional cotton bandage to develop an advanced flexible, moldable X-ray shielding bandage. The combined effects were analyzed to determine their unique X-ray reduction properties and were very effective.

Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor.

A novel organic-inorganic hybrid non-centrosymmetric superconductor material [2-ethylpiperazine tetrachlorocuprate(II)] has been synthesized and investigated by means of Fourier transform infrared spectroscopy, single-crystal X-ray crystallography, thermal analyses, and density functional theory (DFT) studies. The single-crystal X-ray analysis indicates that the studied compound crystallizes in the P222 orthorhombic space group. Hirshfeld surface analyses have been used to investigate non-covalent interactions.

Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action.

A compound that could inhibit multiple targets associated with SARS-CoV-2 infection would prove to be a drug of choice against the virus. Human receptor-ACE2, receptor binding domain (RBD) of SARS-CoV-2 S-protein, Papain-like protein of SARS-CoV-2 (PLpro), reverse transcriptase of SARS-CoV-2 (RdRp) were chosen for in silico study. A set of previously synthesized compounds (-) were docked into the active sites of the targets.

Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties.

Four series of lanthanide-based coordination polymers (LnCPs), namely [Ln(Brbdc)(MeOH)] (1Ln; Ln = Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy), [Ln(Brbdc)(NO)(MeOH)] (2Ln; Ln = Ce, Pr, Nd, Sm), [Ln(Brbdc)(NO)(MeOH)] (3Ln; Ln = Gd, Tb, Dy), and [Ln(Brbdc)(HO)(MeOH)] (4Ln; Ln = Gd, Tb, Dy) have been synthesized by reacting hydrated lanthanide(III) salts with tetrabromobenzene-1,4-dicarboxylic acid (HBrbdc) in different solvents under solvothermal conditions. The structural diversity found in the system mainly resulted from the effects of anions, solvents, and the variation in the ionic radii of the lanthanide(III) ions. Compounds in series 1Ln feature a two-dimensional (2D) layered structure with sql topology based on {(Ln(COO))(μ-COO)} secondary building units (SBUs).

Heavy Metal Ions Removal from Aqueous Solutions by Treated Ajwa Date Pits: Kinetic, Isotherm, and Thermodynamic Approach.

In the current study we prepared cost-effective adsorbents based on ajwa date pits to remove Cu(II) ions from aqueous medium. Adsorbents were studied using scanning electron microscopy (SEM), FT-IR, and Brunauer-Emmett-Teller (BET) methods to characterize the surface functionalities, morphology, pore size, and particle size. The concentration of Cu(II) ions in the studied samples was determined by atomic adsorption spectrometry technique (AAS).

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and pharmacokinetic and toxicity studies.

Density Functional Theory (DFT) and Quantitative Structure-Activity Relationship (QSAR) studies were performed on four benzimidazoles (compounds 1-4) and two benzothiazoles (compounds 5 and 6), previously synthesized by our group. The compounds were also investigated for their binding affinity and interactions with the SARS-CoV-2 M (PDB ID: 6LU7) and the human angiotensin-converting enzyme 2 (ACE2) receptor (PDB ID: 6 M18) using a molecular docking approach. Compounds 1, 2, and 3 were found to bind with equal affinity to both targets.

Removal of Chromium(III) and Cadmium(II) Heavy Metal Ions from Aqueous Solutions Using Treated Date Seeds: An Eco-Friendly Method.

The aim of the research was to prepare low-cost adsorbents, including raw date pits and chemically treated date pits, and to apply these materials to investigate the adsorption behavior of Cr(III) and Cd(II) ions from wastewater. The prepared materials were characterized using SEM, FT-IR and BET surface analysis techniques for investigating the surface morphology, particle size, pore size and surface functionalities of the materials. A series of adsorption processes was conducted in a batch system and optimized by investigating various parameters such as solution pH, contact time, initial metal concentrations and adsorbent dosage.

Chemical and Fatty Acid Compositions of Crude and Purified Extracts Obtained from Datura innoxia Seeds Extracted with Different Solvents.

Oils play a key role as raw materials in a variety of industries. The aim of this study was to evaluate the potential of Datura innoxia seed oil cultivated in Saudi Arabia for industrial purpose and to study the effects of hexane, chloroform, and isopropanol as extraction solvents on the compositions of the extracts. The results showed that the hexane and chloroform extracts were mainly neutral oils which were rich in linoleic (≈46%) and oleic (≈31%) acids.

Synthesis, Spectral Characterization and Biological Activities of Co(II) and Ni(II) Mixed Ligand Complexes.

2,4-Dinitrophynylhydrazine and two thiocyanate ions in a (M:L1:L2) 1:2:2 molar ratio was synthesized in the complexes of Co(II) and Ni(II). The prepared compounds were identified through a C.H.

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (M): DFT, QSAR, molecular docking, and in silico toxicity analysis.

In this study, we examined five previously synthesized compounds and checked their binding affinity towards the SARS-CoV-2 main protease (M) by molecular docking study, and compared the data with three FDA approved drugs, i.e., Remdesivir, Ivermectine and Hydroxychlorochine.

Dinuclear uranium(VI) salen coordination compound: an efficient visible-light-active catalyst for selective reduction of CO to methanol.

A new dinuclear uranyl salen coordination compound, [(UO2)2(L)2]·2MeCN [L = 6,6'-((1E,1'E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))-bis(methaneylylidene))bis(2-methoxyphenol)], was synthesized using a multifunctional salen ligand to harvest visible light for the selective photocatalytic reduction of CO2 to MeOH. The assembling of the two U centers into one coordination moiety via a chelating-bridging doubly deprotonated tetradentate ligand allowed the formation of U centers with distorted pentagonal bipyramid geometry. Such construction of compounds leads to excellent activity for the photocatalytic reduction of CO2, permitting a production rate of 1.

Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.

A novel Schiff base compound derived from the condensation of 2-hydroxy-1-naphthaldehyde with (1,2)-(-)-1,2-diphenylethylenediamine in 2:1 M ratio was reported and investigated by elemental analyses, Fourier transform infrared and NMR spectroscopic studies, and single-crystal X-ray crystallography. Hirshfeld surface analyses were also carried out to measure the various intermolecular contacts controlling the supramolecular topology, suggesting the H···O (7.6%) contacts to be the most significant interactions, whereas the H···H (48.

Chemical Composition, Oxidative Stability, and Antioxidant Activity of Allium ampeloprasum L. (Wild Leek) Seed Oil.

Allium ampeloprasum L., commonly known as wild leek, is an edible vegetable that has been cultivated for centuries. However, no detailed studies have been undertaken to valorize A.

Characterization of Ternary Blends of Vegetable Oils with Optimal ω-6/ω-3 Fatty Acid Ratios.

An optimal ratio of omega-6 to omega-3 (ω-6/ω-3) polyunsaturated fatty acids (PUFA) in the diet prevents the pathogenesis of many inflammatory diseases. This study aimed to synthesize and characterize ternary oil blends with optimal ω-6/ω-3 ratios using olive (OL), sunflower (SU), and cress (CR) oils. The oxidative stability, thermal profile, fatty acid (FA) and tocopherol compositions, and the physicochemical properties of the blends were used to determine their quality.

Discrete Supramolecular Stacks Based on Multinuclear Tweezer-Type Rhodium Complexes.

By taking advantage of self-complementary π-π stacking and CH-π interactions, a series of discrete quadruple stacks were constructed through the self-aggregation of U-shaped dirhodium metallotweezer complexes featuring various planar polyaromatic ligands. By altering the conjugate stacking strength and bridging ligands, assemblies with a range of topologies were obtained, including a binuclear D-shaped macrocycle, tetranuclear open-ended cagelike frameworks, and duplex metallotweezer stacking structures. Furthermore, a rare stacking interaction resulting in selective C-H activation was observed during the self-assembly process of these elaborate architectures.

Synthesis, Structural Characterization and Antimicrobial Activity of Cu(II) and Fe(III) Complexes Incorporating Azo-Azomethine Ligand.

We are reporting a novel azo-azomethine ligand, HL and its complexes with Cu(II) and Fe(III) ions. The ligand and its complexes are characterized by various physico-chemical techniques using C,H,N analyses, FT-IR, ¹H-NMR, ESI-MS and UV-Vis studies. TGA analyses reveal complexes are sufficiently stable and undergo two-step degradation processes.

Chemical Composition of Date Palm (Phoenix dactylifera L.) Seed Oil from Six Saudi Arabian Cultivars.

Unlabelled: This investigation aimed to evaluate the chemical composition and physicochemical properties of seed oils from 6 date palm (Phoenix. dactylifera L.) cultivars (Barhi, Khalas, Manifi, Rezeiz, Sulaj, and Sukkari) growing in Saudi Arabia and to compare them with conventional palm olein.

Zinc(II) and Copper(II) Hybrid Frameworks via Metal-Ion Metathesis with Enhanced Gas Uptake and Photoluminescence Properties.

The fabrication of metal-organic frameworks with controlled structure and desired properties is important but still a challenge. In this work, a zinc(II) framework, {[Zn(L)(DABCO)(HO)]·9DMF} (named as Zn-1), has been synthesized based on [1,1':3',1″-terphenyl]-4,4″,5'-tricarboxylic acid (HL) and 1,4-diazabicyclo[2.2.

A (salicylaldiminato)Pt(II) complex with dimethylpropylene linkage: Synthesis, structural characterization and antineoplastic activity.

A novel (salicylaldiminato)Pt(II) complex with two different molecular structures, one solventless ((salicylaldiminato)Pt(II)) 1 and another one solvated ((salicylaldiminato)Pt(II). CHOH), 1·CHOH, has been obtained by the reaction of a salen ligand with [PtCl(DMSO)] in ethanol at room temperature. The asymmetric unit of solventless 1 contains 9 such complex molecules whereas 1·CHOH contains 2 complex molecules and one ethanol molecule.

Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(iii) ions and ketone molecules.

Four new metal-organic frameworks (MOFs) [Zn(L)(bpdc)]·1.6HO (1), [Co(L)(bpdc)]·HO (2), [Ni(L)(bptc)(HO)]·2HO (3) and [Cd(L)(Hbptc)] (4) were achieved by reactions of the corresponding metal salt with mixed organic ligands of 1,4-di(1H-imidazol-4-yl)benzene (L) and 4,4'-benzophenonedicarboxylic acid (Hbpdc) or biphenyl-2,4',5-tricarboxylic acid (Hbptc). They exhibit varied structures: MOFs 1 and 4 are porous three-dimensional (3D) frameworks, while 2 is an infinite one-dimensional (1D) chain and 3 is a two-dimensional (2D) network.

Fine tuning of catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange.

Metal-organic frameworks (MOFs) are gaining considerable attention not only because of their diverse structures but also due to their interesting properties and potential applications. However, fabrication of MOFs with desired structures and properties remains a great challenge. In this study, a strategy based on ligand exchange via single-crystal-to-single-crystal (SCSC) transformation has been undertaken, which can be used to achieve MOFs not available by direct synthesis and also to enrich the family of isoreticular MOFs.

Fluorescent sensing and selective adsorption properties of metal-organic frameworks with mixed tricarboxylate and 1H-imidazol-4-yl-containing ligands.

Herein, two metal-organic frameworks (MOFs), [Co(μ-OH)(L)(BTB)(HO)]·5.6HO (1) and [Cd(L)(BTB)(μ-HO)]·7.4HO (2), based on 1,3-di(1H-imidazol-4-yl)benzene (L) and 1,3,5-tri(4-carboxyphenyl)benzene (HBTB), respectively, have been achieved.

Biodiesel Production from Citrillus colocynthis Oil Using Enzymatic Based Catalytic Reaction and Characterization Studies.

Background: Biodiesel is a green fuel consisting of long chain fatty acid monoalkyl esters, which can be blended with diesel or used alone which is usually produced from vegetable oils/fats by either lipasecatalyzed transesterification. In this investigation, an enzyme (Novozym 435) catalyzed process was optimized to prepare methyl esters from crude Citrullus colocynthis oil (CCO) by transesterification of CCO with methanol. However, as per our knowledge, lipase-catalyzed transesterification have not been used for biodiesel production from Citrullus colocynthis.

Structural elucidation and physicochemical properties of mononuclear Uranyl(VI) complexes incorporating dianionic units.

Two derivatives of organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2), where L = (2,2'-(1E,1'E)-(2,2-dimethylpropane-1,3-dyl)bis(azanylylidene, THF = Tetrahydrofuran, Alc = Alcohol), have been prepared. These complexes have been determined by elemental analyses, single crystal X-ray crystallography and various spectroscopic studies. Moreover, the structure of these complexes have also been studied by DFT and time dependent DFT measurements showing that both the complexes have distorted pentagonal bipyramidal environment around uranyl ion.