An Investigation into the Synthesis and Characterization of Novel Tetrazole Derivatives for Application as Mild Steel Corrosion Inhibitors in a Solution of Hydrochloric Acid.

The objective of the study was to synthesize tetrazole molecules featuring nitro groups positioned at the para and meta locations. We aimed to assess their effectiveness in inhibiting corrosion of mild steel in a 1 M HCl solution at 298 K. Tetrazoles with 2,5-disubstitution were created using [3 + 2] cycloaddition and N-alkylation techniques, with a particular emphasis on synthesizing molecules that contain nitro groups.

Novel D-Ribofuranosyl Tetrazoles: Synthesis, Characterization, In Vitro Antimicrobial Activity, and Computational Studies.

The goal of this study was to synthesize and evaluate new antimicrobial compounds. We specifically focused on the development of 2,5-disubstituted tetrazole derivatives containing the O-methyl-2,3-O-isopropylidene-(D)-ribofuranoside groups through N-alkylation reactions. The synthesized compounds were characterized using H and C nuclear magnetic resonance (NMR) spectroscopy.

An Investigation of Novel Series of 2-Thioxo-1,3-dithiol-carboxamides as Potential Antispasmodic Agents: Design, Synthesis via Coupling Reactions, Density Functional Theory Calculations, and Molecular Docking.

This study reports the synthesis of 2-thioxo-1,3-dithiol-carboxamides () under mild conditions at room temperature using HBTU as a coupling agent, which significantly improved amide bond formation. The synthesized compounds were characterized using several analytical techniques, including H and C NMR spectroscopy, and HRMS, confirming their intended structures and structural integrity. A DFT computational study at the B3LYP/6-31G(d,p) level was conducted on the four synthesized compounds to compare their electronic properties and molecular structures.

Crystal structure and Hirshfeld surface analysis of ()--{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline ,-di-methyl-formamide monosolvate.

The title mol-ecule, [Fe(CH)(CHClN)]·CHNO, is twisted end to end and the central N/C/N unit is disordered. In the crystal, several C-H⋯π(ring) inter-actions lead to the formation of layers, which are connected by further C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (60.

Optimized variable selection and machine learning models for olive oil quality assessment using portable near infrared spectroscopy.

Olive oil is a key component of the Mediterranean diet, rich in antioxidants and beneficial monounsaturated fatty acids. As a result, high-quality olive oil is in great demand, with its price varying depending on its quality. Traditional chemical tests for assessing olive oil quality are expensive and time-consuming.

Unassisted and Carbon Dioxide-Assisted Hydro- and Steam-Distillation: Modelling Kinetics, Energy Consumption and Chemical and Biological Activities of Volatile Oils.

The demand for more suitable eco-friendly extraction processes has grown over the last few decades and driven research to develop efficient extraction processes with low energy consumption and low costs, but always assuring the quality of the volatile oils (VOs). The present study estimated the kinetic extraction and energy consumption of simultaneous hydro- and steam-distillation (SHSD), and SHSD assisted by carbon dioxide (SHSDACD), using an adopted modelling approach. The two isolation methods influenced the VOs yield, chemical composition and biological activities, namely, antioxidant, anti-glucosidase, anti-acetylcholinesterase and anti-inflammatory properties.

Design, Synthesis, in vitro and in silico Characterization of 2-Quinolone-L-alaninate-1,2,3-triazoles as Antimicrobial Agents.

Due to the ever-increasing antimicrobial resistance there is an urgent need to continuously design and develop novel antimicrobial agents. Inspired by the broad antibacterial activities of various heterocyclic compounds such as 2-quinolone derivatives, we designed and synthesized new methyl-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alaninate-1,2,3-triazole derivatives via 1,3-dipolar cycloaddition reaction of 1-propargyl-2-quinolone-L-alaninate with appropriate azide groups. The synthesized compounds were obtained in good yield ranging from 75 to 80 %.

Simultaneous Hydrodistillation-Steam Distillation of , and from Morocco, Major Terpenes: Impact on Biological Activities.

Interest in the use of essential oils (EOs) in the biomedical and food industries have seen growing over the last decades due to their richness in bioactive compounds. The challenges in developing an EO extraction process that assure an efficient levels of monoterpenes with impact on biological activities have driven the present study, in which the EO extraction process of rosemary, lavender and citrus was performed by simultaneous hydrodistillation-steam distillation, and the influence of EO composition on biological activities, namely antioxidant, anti-inflammatory, antidiabetic, anti-acetylcholinesterase, anti-tyrosinase, antibacterial, and antibiofilm activity, were evaluated. The EO yields of combinations were generally higher than the individual plants ( (), (), and ()) extracted by the conventional hydrodistillation.

Application of new emerging techniques in combination with classical methods for the determination of the quality and authenticity of olive oil: a review.

The determination of the quality and authenticity of olive oil becomes more and more required by producers, consumers, and authorities to thwarter falsification. Several analytical techniques including chemical, sensory, chromatography, and so on, are used for the determination of the quality and authenticity of olive oil. Although these methods are considered as the reference ones, they are cumbersome, time-consuming and destructive.

A preliminary study on the potential of front face fluorescence spectroscopy for the discrimination of Moroccan virgin olive oils and the prediction of their quality.

This study examines the feasibility of using front face fluorescence spectroscopy (FFFS) to authenticate 41 virgin olive oil (VOO) specimens collected from 5 regions in Morocco (Fez/Meknes, Eastern, Northern, Beni-Mellal/Khenifra, and Marrakech/Safi) during 2 consecutive crop seasons (2015-2016 and 2016-2017). By jointly applying factorial discriminant analysis (FDA) to the emission spectra acquired after excitation at 270, 290, and 430 nm, clear discrimination between VOOs according to their geographic origin (96.72% correct classification) and variety (95.

Biochemical, Physicochemical and Sensory Properties of Yoghurts Made from Mixing Milks of Different Mammalian Species.

Among developed countries, bovine milk production makes a major contribution towards the economy. Elevating consumer demand for functional foods has triggered a niche for non-bovine milk-based products. Mixing milks from different species can be a strategy to increase the consumption of non-bovine milk and enable consumers and dairy companies to benefit from their nutritional and technological advantages.

Preliminary study on the potential application of Fourier-transform mid-infrared for the evaluation of overall quality and authenticity of Moroccan virgin olive oil.

Background: Olive oil provides a wide range of health-promoting compounds. The quality of olive oil is an even more complex concept as it is affected by several factors, such as variety, season, stage of maturation, extraction processing, and so on. The main objective of this study was to determine the potential of chemical and mid-infrared spectroscopy techniques to determine the quality and authenticity of virgin olive oil (VOO).

Predicting soil phosphorus and studying the effect of texture on the prediction accuracy using machine learning combined with near-infrared spectroscopy.

The estimation of soil phosphorus is essential for agricultural activity. The laboratory chemical analysis techniques are expensive and labor-intensive. In the last decade, near-infrared spectroscopy has been become used as an alternative for soil attributes analysis.

2D-Cross Correlation Spectroscopy Coupled with Molecular Fluorescence Spectroscopy for Analysis of Molecular Structure Modification of Camel Milk and Cow Milk Mixtures during Coagulation.

Synchronous fluorescence spectroscopy (SFS) coupled with two-dimensional correlation spectroscopy (2DCOS) was employed to monitor, at the molecular level, the coagulation of five mixture ratios of camel's milk (CaM) and cow's milk (CM) (100% CaM, 75% CaM:25% CM, 50% CaM:50% CM, 25% CaM:75% CM and 100% CM). The dissimilarities among the different formulations are highlighted on the synchronous 2DCOS-SFS. In addition, according to the cross-peak symbols in synchronous and asynchronous spectra, the rate of response modification in riboflavin, protein and vitamin A matched with common coagulation phenomena usually reported during chymosin coagulation (hydrolysis of κ-casein, destabilization of casein micelles and aggregation).

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of ()-10-propargyl-pyrrolo-[2,1-][1,4]benzodiazepine-5,11-dione.

The title compound, CHNO, consists of pyrrole and benzodiazepine units linked to a propargyl moiety, where the pyrrole and diazepine rings adopt half-chair and boat conformations, respectively. The absolute configuration was assigned on the the basis of l-proline, which was used in the synthesis of benzodiazepine. In the crystal, weak C-H⋯O and C-H⋯O (Bnz = benzene, Diazp = diazepine and Proprg = proparg-yl) hydrogen bonds link the mol-ecules into two-dimensional networks parallel to the plane, enclosing (28) ring motifs, with the networks forming oblique stacks along the -axis direction.

Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 4-[(prop-2-en-1-yl-oxy)meth-yl]-3,6-bis-(pyridin-2-yl)pyridazine.

The title compound, CHNO, consists of a 3,6-bis-(pyridin-2-yl)pyridazine moiety linked to a 4-[(prop-2-en-1-yl-oxy)meth-yl] group. The pyridine-2-yl rings are oriented at a dihedral angle of 17.34 (4)° and are rotated slightly out of the plane of the pyridazine ring.

Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis-(pyridin-2-yl)-4-{[(3a,5,5a,8a,8b)-2,2,7,7-tetra-methyl-tetra-hydro-5-bis-[1,3]dioxolo[4,5-:4',5'-]pyran-5-yl)meth-oxy]meth-yl}pyridazine monohydrate.

In the title compound, CHNO·HO, the two dioxolo rings are in envelope conformations, while the pyran ring is in a twisted-boat conformation. The pyradizine ring is oriented at dihedral angles of 9.23 (6) and 12.

Identification of chiral alkenyl- and alkynylcarbinols as pharmacophores for potent cytotoxicity.

Illumination by acetylene: Systematic structural variations in a series of archetypal acetylenic lipids derived from the naturally occurring (S,E)-icos-4-en-1-yn-3-ol allowed the discovery of a series of 3R-like 1,4-di-unsaturated carbinol units with a significant and systematic enantiomeric effect on cytotoxicity.

Synthesis of new alpha-heterocyclic alpha-aminoesters.

alpha-Heterocyclic alpha-aminoesters were obtained in good yields by reaction of a glycine cation equivalent and different heterocyclic nucleophiles; diastereoselectivity using a carbohydrate (galactopyranose) as N-protecting group was modest.