Theoretical study of the structural and energetic properties of platinum clusters with up to 60 atoms

Structural Chemistry - Applying a theoretical approach that combines an efficient and fast global optimization based on genetic algorithms (GA) to search in structure space and the parameterized...     

Hexamethylenetetramine-based ionic liquid anchored onto the metal–organic framework MIL-101(Cr) as a superior and reusable heterogeneous catalyst for the preparation of hexahydroquinolines

Research on Chemical Intermediates - Regarding the significance of medicinal and pharmacological sciences, we explored one-pot multicomponent reaction of aromatic aldehydes, aryl amines,...     

Ethyl Acetate—Propionic Acid as Green Mobile Phase System for Selective Densitometric Identification of Maltose with Preliminary Separation on Silica High-Performance Thin-Layer Chromatographic Plates

JPC – Journal of Planar Chromatography – Modern TLC - A mobile phase system comprising of ethyl acetate and propionic acid in 1:1 (v/v) ratio was identified as the most suitable green...     

PET Imaging of Bacterial Infections with Fluorine‐18‐Labeled Maltohexaose

A positron emission tomography (PET) tracer composed of ¹⁸F‐labeled maltohexaose (MH¹⁸F) can image bacteria in vivo with a sensitivity and specificity that are orders of magnitude higher than those of fluorodeoxyglucose (¹⁸FDG). MH¹⁸F can detect early‐stage infections composed of as few as 10⁵ E. coli colony‐forming units (CFUs), and can identify drug resistance in bacteria in vivo. MH¹⁸F has the potential to improve the diagnosis of bacterial infections given its unique combination of high specificity and sensitivity for bacteria.     

Antioxidant,Antimicrobial, and Insecticidal Properties of a Chemically Characterized Essential Oil from the Leaves of Dittrichia viscosa L.

Since some synthetic insecticides cause damage to human health, compounds in plants can be viable alternatives to conventional synthetic pesticides. Dittrichia viscosa L. is a perennial Mediterranean plant known to possess biological activities, including insecticidal properties. The chemical composition of an essential oil (EOD) from D. viscosa, as well as its antioxidant, antimicrobial, and insecticidal effects on the cowpea weevil (Callosobruchus maculatus) were determined. Forty-one volatile compounds were identified in EOD, which accounted for 97.5% of its constituents. Bornyl acetate (41%) was a major compound, followed by borneol (9.3%), α-amorphene (6.6%), and caryophyllene oxide (5.7%). EOD exhibited significant antioxidant activity in all tests performed, with an IC₅₀ of 1.30 ± 0.05 mg/mL in the DPPH test and an EC₅₀ equal to 36.0 ± 2.5 mg/mL in the FRAP assay. In the phosphor-molybdenum test, EOD results ranged from 39.81 ± 0.7 to 192.1 ± 0.8 mg AAE/g E. EOD was active on E. coli (9.5 ± 0.5 mm), S. aureus (31.0 ± 1.5 mm), C. albicans (20.4 ± 0.5 mm), and S. cerevisiae (28.0 ± 1.0 mm), with MICs ranging from 0.1 mg/mL to 3.3 mg/mL. We found that 1 µL of EOD caused 97.5 ± 5.0% insect mortality after 96 h in the inhalation test and 60.0 ± 8.3% in the ingestion assay. The median lethal concentration (LC₅₀) was 7.8 ± 0.3 μL EO/L, while the effective concentration in the ingestion test (LC₅₀) was 15.0 ± 2.1 μL EO/L. We found that 20 µL of EOD caused a reduction of more than 91% of C. maculatus laid eggs.     

Antibacterial Mechanisms of Zinc Oxide Nanoparticle against Bacterial Food Pathogens Resistant to Beta-Lactam Antibiotics

The increase in β-lactam-resistant Gram-negative bacteria is a severe recurrent problem in the food industry for both producers and consumers. The development of nanotechnology and nanomaterial applications has transformed many features in food science. The antibacterial activity of zinc oxide nanoparticles (ZnO NPs) and their mechanism of action on β-lactam-resistant Gram-negative food pathogens, such as Escherichia coli, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Klebsiella pneumoniae, and Proteus mirabilis, are investigated in the present paper. The study results demonstrate that ZnO NPs possesses broad-spectrum action against these β-lactamase-producing strains. The minimal inhibitory and minimal bactericidal concentrations vary from 0.04 to 0.08 and 0.12 to 0.24 mg/mL, respectively. The ZnO NPs elevate the level of reactive oxygen species (ROS) and malondialdehyde in the bacterial cells as membrane lipid peroxidation. It has been confirmed from the transmission electron microscopy image of the treated bacterial cells that ZnO NPs diminish the permeable membrane, denature the intracellular proteins, cause DNA damage, and cause membrane leakage. Based on these findings, the action of ZnO NPs has been attributed to the fact that broad-spectrum antibacterial action against β-lactam-resistant Gram-negative food pathogens is mediated by Zn²⁺ ion-induced oxidative stress, actions via lipid peroxidation and membrane damage, subsequently resulting in depletion, leading to β-lactamase enzyme inhibition, intracellular protein inactivation, DNA damage, and eventually cell death. Based on the findings of the present study, ZnO NPs can be recommended as potent broad-spectrum antibacterial agents against β-lactam-resistant Gram-negative pathogenic strains.     

A new liquid-phase microextraction method based on solidification of floating organic drop

In the present study, a new and versatile liquid-phase microextraction method is described. This method requires very simple and cheap apparatus and also a small amount of organic solvent. Eight microliters of 1-undecanol was delivered to the surface of solution containing analytes and solution was stirred for a desired time. Then sample vial was cooled by inserting it into an ice bath for 5 min. The solidified 1-undecanol was transferred into a suitable vial and immediately melted; then, 2 μL of it was injected into a gas chromatograph for analysis.Some polycyclic aromatic hydrocarbons (PAHs) were used as model compounds for developing and evaluating of the method performance. Analysis was carried out by gas chromatography/flame ionization detection (GC/FID).Several factors influencing the microextraction efficiency, such as the nature and volume of organic solvent, the temperature and volume of sample solution, stirring rate and extraction time were investigated and optimized. The applicability of the technique was evaluated by determination of trace amounts of PAHs in environmental samples. Under the optimized conditions, the detection limits (LOD) of the method were in the range of 0.07-1.67 μg L⁻¹ and relative standard deviations (R.S.D.) for 10 μg L⁻¹ PAHs were <7%. A good linearity (r² > 0.995) in a calibration range of 0.25-300.00 μg L⁻¹ was obtained. After 30 min extraction duration, enrichment factors were in the range of 594-1940. Finally, the proposed method was applied to the determination of trace amounts of PAHs in several real water samples, and satisfactory results were resulted. Since very simple devices were used, this new technique is affordable, efficient, and convenient for extraction and determination of low concentrations of PAHs in water samples.     

Swelling behavior, mechanical properties and network parameters of pH- and temperature-sensitive hydrogels of poly((2-dimethyl amino) ethyl methacrylate-co-butyl methacrylate)

In this study, swelling behavior and mechanical properties of polyelectrolyte cationic hydrogels of poly((2-dimethylamino) ethyl methacrylate) (PDMAEMA), and poly((2-dimethylamino) ethyl methacrylate-co-butyl methacrylate) (P(DMAEMA-co-BMA)), were investigated. Hydrogels were prepared by free-radical solution copolymerization of DMAEMA and BMA using ethylene glycol dimethacrylate (EGDMA) as the crosslinking agent. Compression-strain measurements were used to analyze the mechanical properties of the hydrogels. It was found that increasing the amount of BMA comonomer in the gel structure increases the compression modulus of the material. The results of mechanical measurements were used to characterize the network structure of the hydrogels, namely the effective crosslinking density (. It was found that exceeds the theoretical crosslinking density (ν_t) calculated from the initial amount of EGDMA used for hydrogel synthesis. These hydrogels demonstrated dual sensitivity to both pH and temperature. It was shown that the pH-sensitive or temperature-sensitive phase transition behavior of the gels can be changed by changing the temperature or pH of the swelling medium at constant hydrogel composition. Increasing the temperature decreased the transition pH of the pH-sensitive phase transition. On the other hand, increasing the pH of the surrounding medium decreased the transition temperature of the temperature-sensitive phase transition. Incorporation of BMA in the gel structure has a significant effect on the transition point of the gel. Increasing the BMA content reduced the transition pH and temperature of the pH- and temperature-sensitive phase transition, respectively. The similar effect of increasing temperature or BMA content can be explained by the role of hydrophobicity in the phase transition behavior of hydrogels. Finally, the results of equilibrium swelling and compression-strain measurements were used to calculate the polymer-solvent interaction parameters of these hydrogels using the Flory-Rehner equation of equilibrium swelling.