DFT Study of Regio- and Stereoselective 13DC Reaction between Diazopropane and Substituted Chalcone Derivatives: Molecular Docking of Novel Pyrazole Derivatives as Anti-Alzheimer's Agents.

In the present work, a combination of experimental and density functional theory (DFT) investigation of the (3+2) cycloaddition reactions of diazopropane with chalcone derivatives was reported. All calculations were performed using several DFT approaches (B3LYP, M06, M06-2X) and 6-311+G(d, p) basis set. Based on the NMR, MS analyses and IRC calculations, the pyrazole derivatives are the kinetic adducts over the oxadiazoles. The use of two equivalents of diazopropane leads to thermodynamical products. A molecular docking analysis was performed to investigate the efficiency of the obtained products against selected drug targets in anti-Alzheimer ligand-receptor interactions. We revealed that the ligands selected were bound mainly to the catalytic (CAS) and peripheral (PAS) anionic sites of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitors, respectively. The selected ligands 1, 3, 4 and P14 may act as the best inhibitors against Alzheimer's disease (AD).

Evaluation of Ruthenium(II) N-Heterocyclic Carbene Complexes as Enzymatic Inhibitory Agents with Antioxidant, Antimicrobial, Antiparasitical and Antiproliferative Activity.

A series of [RuCl2(p-cymene)(NHC)] complexes were obtained by reacting [RuCl2(p-cymene)]2 with in situ generated Ag-N-heterocyclic carbene (NHC) complexes. The structure of the obtained complexes was determined by the appropriate spectroscopy and elemental analysis. In addition, we evaluated the biological activities of these compounds as antienzymatic, antioxidant, antibacterial, anticancer, and antiparasitic agents. The results revealed that complexes 3b and 3d were the most potent inhibitors against AchE with IC50 values of 2.52 and 5.06 µM mL-1. Additionally, 3d proved very good antimicrobial activity against all examined microorganisms with IZ (inhibition zone) over 25 mm and MIC (minimum inhibitory concentration) < 4 µM. Additionally, the ligand 2a and its corresponding ruthenium (II) complex 3a had good cytotoxic activity against both cancer cells HCT-116 and HepG-2, with IC50 values of (7.76 and 11.76) and (4.12 and 9.21) µM mL-1, respectively. Evaluation of the antiparasitic activity of these complexes against Leishmania major promastigotes and Toxoplasma gondii showed that ruthenium complexes were more potent than the free ligand, with an IC50 values less than 1.5 µM mL-1. However, 3d was found the best one with SI (selectivity index) values greater than 5 so it seems to be the best candidate for antileishmanial drug discovery program, and much future research are recommended for mode of action and in vivo evaluation. In general, Ru-NHC complexes are the most effective against L. major promastigotes.

Application of Doehlert Experimental Design for Optimization of a New-Based Hydrophilic Interaction Solid-Phase Extraction of Phenolic Acids from Olive Oils.

In this work, a rapid, precise, and cost-valuable method has been established to quantify phenolic compounds in olive oil using new-based hydrophilic interaction solid-phase extraction (SPE). Boehlert's experimental design applied the determination of the optimal operating conditions. An investigation into the effects of the methanol composition (50-100%), the volume of eluent (1-12 mL), and pH (1-3) on the extraction of phenols acids and total phenols from Tunisian olive oils was performed. The results showed that the extraction conditions had a significant effect on the extraction efficiency. The experiment showed that the greatest conditions for the SPE of phenolic acids were the methanol composition at 90.3%, pH at 2.9, and volume at 7.5 mL, respectively. The optimal conditions were applied to different types of olive oils, and it could be concluded that larger concentrations of polyphenols were found in extra virgin olive oil (89.15-218), whereas the lowest levels of these compounds (66.8 and 5.1) were found in cold-pressed crude olive oil and olive pomace oil, respectively.

Physicochemical Properties, Antioxidant Markers, and Meat Quality as Affected by Heat Stress: A Review.

Heat stress is one of the most stressful events in livestock life, negatively impacting animal health, productivity, and product quality. Moreover, the negative impact of heat stress on animal product quality has recently attracted increasing public awareness and concern. The purpose of this review is to discuss the effects of heat stress on the quality and the physicochemical component of meat in ruminants, pigs, rabbits, and poultry. Based on PRISMA guidelines, research articles were identified, screened, and summarized based on inclusion criteria for heat stress on meat safety and quality. Data were obtained from the Web of Science. Many studies reported the increased incidences of heat stress on animal welfare and meat quality. Although heat stress impacts can be variable depending on the severity and duration, the exposure of animals to heat stress (HS) can affect meat quality. Recent studies have shown that HS not only causes physiological and metabolic disturbances in living animals but also alters the rate and extent of glycolysis in postmortem muscles, resulting in changes in pH values that affect carcasses and meat. It has been shown to have a plausible effect on quality and antioxidant activity. Acute heat stress just before slaughter stimulates muscle glycogenolysis and can result in pale, tender, and exudative (PSE) meat characterized by low water-holding capacity (WHC). The enzymatic antioxidants such as superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx) act by scavenging both intracellular and extracellular superoxide radicals and preventing the lipid peroxidation of the plasma membrane. Therefore, understanding and controlling environmental conditions is crucial to successful animal production and product safety. The objective of this review was to investigate the effects of HS on meat quality and antioxidant status.

Chemosensing Properties of Coumarin Derivatives: Promising Agents with Diverse Pharmacological Properties, Docking and DFT Investigation.

In this work, a three-component reaction of 3-acetyl-4-hydroxycoumarine, malononitrile, or cyanoacetate in the presence of ammonium acetate was used to form coumarin derivatives. The chemical structures of new compounds were identified by 1H, 13C NMR and an elemental analysis. These compounds were examined in vitro for their antimicrobial activity against a panel of bacterial strains. In addition, these compounds were investigated for antioxidant activities by superoxideradical, DPPH (2,2-Diphenyl-1-picrylhydrazyl), and hydroxyl radical scavenging assays, in which most of them displayed significant antioxidant activities. Furthermore, these compounds were evaluated for anti-inflammatory activity by indirect hemolytic and lipoxygenase inhibition assays and revealed good activity. In addition, screening of the selected compounds 2-4 against colon carcinoma cell lines (HCT-116) and hepatocellular carcinoma cell lines (HepG-2) showed that that 2-amino-4-hydroxy-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)nicotinonitrile 4 exhibited good cytotoxic activity against standard Vinblastine, while the other compounds exhibited moderate cytotoxic activity. Docking simulation showed that2-amino-4-hydroxy-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)nicotinonitrile 4 is an effective inhibitor of the tumor protein HCT-116. A large fluorescence enhancement in a highly acidic medium was observed, and large fluorescence quenching by the addition of traces of Cu2+ and Ni2+ was also remarked.

Silver-N-heterocyclic carbene complexes-catalyzed multicomponent reactions: Synthesis, spectroscopic characterization, density functional theory calculations, and antibacterial study.

Nowadays, silver-N-heterocyclic carbene (silver-NHCs) complexes are widely used in medicinal chemistry due to their low toxic nature toward humans. Due to the success of silver-NHCs in medicinal applications, interest in these compounds is rapidly increasing. Therefore, the interaction of N,N-disubstituted benzimidazolium salts with Ag2 O in dichloromethane to prepare novel Ag(I)-NHCs complexes was carried out at room temperature for 120 h in the absence of light. The obtained complexes were identified and characterized by 1 H and 13 C nuclear magnetic resonance, Fourier-transform infrared, UV-Vis, and elemental analysis techniques. Then, the silver complexes were applied for three-component coupling reactions of aldehydes, amines, and alkynes. The effect of changing the alkyl substituent on the NHCs ligand on the catalytic performance was investigated. In addition, it has been found that the complexes are antimicrobially active and show higher activity than the free ligand. The silver-carbene complexes showed antimicrobial activity against specified microorganisms with MIC values between 0.24 and 62.5 µg/ml. These results showed that the silver-NHC complexes exhibit an effective antimicrobial activity against bacterial and fungal strains. A density functional theory calculation study was performed to identify the stability of the obtained complexes. All geometries were optimized employing an effective core potential basis, such as LANL2DZ for the Ag atom and 6-311+G(d,p) for all the other atoms in the gas phase. Electrostatic potential surfaces and LUMO-HOMO energy were computed. Transition energies and excited-state structures were obtained from the time-dependent density functional theory calculations.

Modelling THI effects on milk production and lactation curve parameters of Holstein dairy cows.

The main objective of this study was to determine the potential impact of heat stress (HS) on milk production and lactation curve parameters of Holstein dairy cows. Milk, fat, protein, and somatic cell count test-day records collected between 2013 and 2019 from 947 cows in 23 herds were combined with THI calculated from meteorological data recorded between 2013 and 2019. The temperature-humidity index (THI) was used to investigate the effect of heat stress. The severity of heat stress was measured using the temperature-humidity index (THI) and the impacts of different THIs-low (≤68), moderate (68-72), and high (≥72) on production performance and lactation curve parameters were measured. The nonlinear model of Wood was applied for modeling the lactation curve. Analysis of variance was applied to test the effects of three levels of THI on milk production, its composition, and lactation curve parameters. Results showed losses due to heat stress. A decrease in milk yield and fat and protein content was reported. Fat and protein contents tended to decrease steadily with increasing values of THI. Milk yield ranged from 17.882±0.064 (6872), fat and protein contents ranged from 3.551 ±0.041 to 3.449 ±0.026 and from 3.246 ±0.031%, to 3.113 (0.029) for 6872, respectively. Somatic cell score was marked by an increase (from 4.143 to 4.358) at the highest ranges of THI>72 and decreased values (from 4.143 to 3.857) at the lowest ranges of THI. Heat stress showed a significant effect on the parameters of the lactation curve. The increased value of THI showed a significant effect on milk yield THI was in a significant negative correlation with the yield, and quality of milk. The effect of THI was highly significant (P < 0.05) for all parameters of the lactation curve and milk yield. Cows exposed to THI between 68 and 72 achieved the highest peak milk yields and the highest total yield of 305 days of lactation (Y305).

Citrus lemon essential oil: chemical composition, antioxidant and antimicrobial activities with its preservative effect against Listeria monocytogenes inoculated in minced beef meat.

BACKGROUND: Lemon (Citrus limon) is a flowing plant belonging to the Rutaceae family. Citrus plants constitute one of the main valuable sources of essential oil used in foods and medicinal purposes. METHODS: In this study, we assessed chemical composition, antioxidant and antimicrobial activities of C. limon essential oil (ClEO) with its preservative effect against Listeria monocytogenes inoculated in minced beef meat. Gas chromatography/mass spectrometry (GC-MS) was used to identify the major components of the obtained ClEO. The antioxidant activities of this ClEO were determined according to the ß-carotene bleaching assay, as well as by 2.2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. For antimicrobial activity, agar well diffusion method was used and the minimum inhibitory concentrations (MICs) as well as the minimum fungicidal concentrations (MFCs) were determined. The in situ effect of the ClEO was evaluated through physicochemical parameters (pH and thiobarbituric acid reactive substances (TBARS), as well as against L. monocytogenes in minced beef meat model. RESULTS: Twenty one components were identified in the ClEO and the two dominant compounds were limonene (39.74%) and ß-Pinene (25.44%). This ClEO displayed an excellent DPPH scavenging ability with an extract concentration providing 50% inhibition (IC50) of 15.056 µg/ml and a strong ß-carotene bleaching inhibition after 120 min of incubation with an IC50 of 40.147 µg/ml. The MICs varied from 0.039 to 1.25 mg/ml for Gram positive bacteria and from 0.25 to 2.5 mg/ml for Gram-negative bacteria. The meat preserving potential of ClEO was investigated against L. monocytogenes. ClEO successfully inhibited development of L. monocytogenes in minced beef meat. The application of ClEO at a 0.06 and 0.312 mg/g, may open new promising opportunities for the prevention of contamination from and growth of pathogenic bacteria, particularly L. monocytogenes, during minced beef meat storage at 4 °C. Additionally, during storage period, physicochemical values (pH and TBARS) were higher in control meat than treated meat with ClEO suggesting an efficient antioxidant activity of ClEO. CONCLUSION: It was suggested that the ClEO may be a new potential source as natural antimicrobial and antioxidant agents applied in food systems and pharmaceutical industry.

An Efficient One-Pot Protocol for the Synthesis of Substituted 3,4-Dihydropyrimidin-2(1H)-ones Using Metallophthalocyanines (MPcs) as Potent Heterogeneous Catalysts: Synthesis, Characterization, Aggregation and Antimicrobial Activity.

In this study, novel phthalonitrile 3 and their corresponding metal-free 4 and metallophthalocyanine derivatives 5-7 bearing 2-isopropenyl-4-methoxy-1-methylbenzene groups were synthesized and characterized. 3,4-Dihydropyrimidinones have been synthesized by a modified Biginelli-type reaction with various metallophthalocyanines 5-7 as catalysts. Compared to the classical Biginielli reaction, the new method has the advantages of good yield and short reaction time. Among the various metallophthalocyanines studied, cobalt (II)-phthalocyanine was found to be most active for this transformation. The newly prepared compounds were characterized using elemental analyses, MS, IR, ¹H/13C-NMR and UV-Vis spectroscopy. In addition; the 3,4-dihydropyrimidinones (DHPMs) 8-12 were investigated for antimicrobial activities and revealed good activity. The minimum inhibitory concentration (MIC) was determined by the microdilution technique in Mueller-Hinton broth. The MICs were recorded after 24 hours of incubation at 37 °C. These results are promising, showing these compounds are biologically active.

A Palladium Catalyst System for the Efficient Cross-Coupling Reaction of Aryl Bromides and Chlorides with Phenylboronic Acid: Synthesis and Biological Activity Evaluation.

New benzimidazolium salts 1a-c and their palladium bis-N-heterocyclic carbene complexes 2a-c and palladium PEPPSI-type complexes 3a-c were designed, synthesized and structurally characterized by NMR (1H and 13C), IR, DART-TOF mass spectrometry and elemental analysis. Then these complexes 2-3 were employed in the Suzuki-Miyaura cross-coupling reaction of substituted arenes with phenylboronic acid under mild conditions in toluene and DMF/H2O (1/1) to afford functionalized biaryl derivatives in good to excellent yields. The antibacterial activity of palladium bis-N-heterocyclic carbene complexes 2a-c and palladium PEPPSI-type complexes 3a-c was measured by disc diffusion method against Gram positive and Gram negative bacteria. Compounds 2a, 2c and 3a-c exhibited potential antibacterial activity against four bacterial species among the five used indicator cells. The product 2b inhibits the growth of the all five tested microorganisms. Moreover, the antioxidant activity determination of these complexes 2-3, using 2.2-diphenyl-1-picrylhydrazyl (DPPH) as a reagent, showed that compounds 2a-c and 3b possess DPPH antiradical activity. The higher antioxidant activity was obtained from the product 2b which has radical scavenging activity comparable to that of the two used positive controls (gallic acid "GA" and tutylatedhydroxytoluene "BHT"). Investigation of the anti-acetylcholinesterase activity of the studied complexes showed that compounds 2b, 3a, and 3b exhibited moderate activity at 100 µg/mL and product 2b is the most active.

Myrtus communis essential oil: chemical composition and antimicrobial activities against food spoilage pathogens.

Myrtus communis is a typical plant of the Mediterranean area, which is mainly used as animal and human food and, in folk medicine, for treating some disorders. In the present study, we evaluated in vitro antibacterial and antifungal properties of the essential oils of Myrtus communis (McEO), as well as its phytochemical composition. The GC/MS analysis of the essential oil revealed 17 compounds. Myrtenyl acetate (20.75%), 1,8-cineol (16.55%), α-pinene (15.59%), linalool (13.30%), limonene (8.94%), linalyl acetate (3.67%), geranyl acetate (2.99%), and α-terpineol (2.88%) were the major components. The antimicrobial activity of the essential oil was also investigated on several microorganisms. The inhibition zones and minimal inhibitory concentration (MIC) values of bacterial strains were in the range of 16-28 mm and 0.078-2.5 mg/ml, respectively. The inhibitory activity of the McEO against Gram-positive bacteria was significantly higher than against Gram-negative. It also exhibited remarkable activity against several fungal strains. The investigation of the mode of action of the McEO by the time-kill curve against Listeria monocytogenes (food isolate) showed a drastic bactericidal effect after 5 min using a concentration of 312 µg/ml. These results evidence that the McEO possesses antimicrobial properties, and it is, therefore, a potential source for active ingredients for food and pharmaceutical industries.

A new and efficient method for the synthesis of novel 3-acetyl coumarins oxadiazoles derivatives with expected biological activity.

This paper presents the design of some novel 3-acetylcoumarin derivatives, based on minimal inhibitory concentration values (MICs) previously obtained against some microorganism cultures, Gram positive and negative bacteria and fungi. Some of these molecules exhibited antibacterial activity against S. aureus, comparable to that of the standard used (impinem). The in vitro antioxidant activities of the novel 3-acetylcoumarin oxadiazoles were assayed by the quantitative 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activity method. The compounds 5c,d proved to be the most active, showing the highest capacity to deplete the DPPH radicals. Structure elucidation of the products has been accomplished on the basis of IR, 1H-NMR, 13C-NMR, NOESY and HMBC NMR data.

Benzimidazole derivatives as a new scaffold of anticancer agents: Synthesis, optical properties, crystal structure and DFT calculations.

The absolute necessity to fight some class of tumour is perceived as serious health concerns, and the discovery and development of effective anticancer agents are urgently needed. So, the novel benzimidazole derivatives (2a-b) were designed, synthesized, with their structures rigorously characterized using single X-ray crystallography, FT-IR, UV, and NMR spectroscopy, alongside elemental analysis. The geometric structures were optimized using density functional theory (DFT) calculations performed at the ωB97X-D/cc-pVDZ level, yielding good agreement with experimental XRD data. The studied salt complexes exhibited the ability to absorb UV light at 275 nm. Furthermore, anticancer activity of the compounds was screened against (MDA-MB-231, MCF-7, HT-29 and healthy cell line (HF)) and revealed the remarkable efficacy of select newly synthesized Benzimidazole derivatives (2a-b). Compound 2a showed relative significant higher cytotoxicity (165.02) in MDA-MB-231 cancer cell line. This underscores their promising potential in therapeutic applications, affirming their role as valuable contenders in the pursuit of novel anticancer agents.

Synthesis, characterization, optical properties, biological activity and theoretical studies of a 4 nitrobenzylidene) amino) phenyl)imino)methyl)naphthalen-2-ol -based fluorescent Schiff base.

A new Schiff base, 1-(E)-(4-((E) 4nitrobenzylidene) amino) phenyl)imino) methyl)naphthalen-2-ol (4NMN), was prepared from the reaction of p-phenylenediamine with 2-hydroxy-1-naphthaldehyde and 4-nitrobenzaldehyde and characterized with spectroscopic analysis. UV-VIS and NMR. Frontier molecular orbitals, molecular electrostatic potential, and chemical reactivity descriptors of the synthesized compound were studied using molecular modeling methods. The antibacterial and antifungal activities of the Schiff base were studied for its minimum inhibitory concentration. The compound showed a higher effect on yeast than against bacteria. Density functional theory (DFT) calculations were performed to study the mechanism of reaction for the synthesis of 4NMN, and the results were consistent with the experimental findings. 4NMN exhibited moderate antibacterial and antifungal activities and demonstrated higher inhibition potential against different resistant strains compared to the reference drug gentamycin. The absorption and fluorescence spectra of 4NMN were measured in different solvents, and the effect of relative polarity and acidity on the medium was observed. An inner filter effect was observed at high concentrations, and the compound showed considerable fluorescence enhancement with increasing medium viscosity and fluorescence quenching by the addition of traces of Cr1+ and Cu2+. Additionally, molecular docking studies were conducted to investigate the efficiency of antibacterial and antifungal targets.

Research on Membranes and Their Associated Processes at the Université Paris-Est Créteil: Progress Report, Perspectives, and National and International Collaborations.

Research on membranes and their associated processes was initiated in 1970 at the University of Paris XII/IUT de Créteil, which became in 2010 the University Paris-Est Créteil (UPEC). This research initially focused on the development and applications of pervaporation membranes, then concerned the metrology of ion-exchange membranes, then expanded to dialysis processes using these membranes, and recently opened to composite membranes and their applications in production or purification processes. Both experimental and fundamental aspects have been developed in parallel. This evolution has been reinforced by an opening to the French and European industries, and to the international scene, especially to the Krasnodar Membrane Institute (Kuban State University-Russia) and to the Department of Chemistry, (Qassim University-Saudi Arabia). Here, we first presented the history of this research activity, then developed the main research axes carried out at UPEC over the 2012-2022 period; then, we gave the main results obtained, and finally, showed the cross contribution of the developed collaborations. We avoided a chronological presentation of these activities and grouped them by theme: composite membranes and ion-exchange membranes. For composite membranes, we have detailed three applications: highly selective lithium-ion extraction, bleach production, and water and industrial effluent treatments. For ion-exchange membranes, we focused on their characterization methods, their use in Neutralization Dialysis for brackish water demineralization, and their fouling and antifouling processes. It appears that the research activities on membranes within UPEC are very dynamic and fruitful, and benefit from scientific exchanges with our Russian partners, which contributed to the development of strong membrane activity on water treatment within Qassim University. Finally, four main perspectives of this research activity were given: the design of autonomous and energy self-sufficient processes, refinement of characterization by Electrochemical Scanning Microscopy, functional membrane separators, and green membrane preparation and use.

Synthesis and pharmacological properties of coumarin-chalcones.

New chalcones (2a-e) were prepared by Claisen-Schmidt condensation from 3-acetyl-4-hydroxycoumarin, which was used as a key intermediate in this synthesis. However, we can easily obtain compounds (3a-e) by refluxing chalcone (2a-e) with 4-hydroxycoumarin in the presence of ammonium acetate and glacial acetic acid. Multinuclear NMR (1H and 13C), IR and elemental analysis characterized the structure of the final compound. The antibacterial activity of the obtained products against various bacterial strains was tested in vitro. The antioxidant properties of the same synthesized compounds were also studied using DPPH (2,2-diphenyl-1-trinitrophenylhydrazine) and hydroxyl radical scavenging tests. Furthemore a study was conducted to highlight the nature of the effects produced by screening 2a-e and 3a-e products on colon cancer cell lines (HCT-116) and hepatocellular carcinoma cell lines (HepG-2). Good cytotoxic activity against standard vinblastine was observed for compound 3a. •3-acetyl-4-hydroxycoumarin as a simple coumarinic ketone was modified to coumarins-bonded chalcones.•Modification was performed through two steps reaction.•Final products exhibited free radical scavenging activity and Good cytotoxic.

Effective Synthesis and Biological Evaluation of Dicoumarols: Preparation, Characterization, and Docking Studies.

A series of 3,3-arylidene bis (4-hydroxycoumarins) 2 were synthesized by the reaction of aromatic aldehydes with 4-hydroxycoumarin using dodecylbenzenesulfonic acid as Brønsted acid-surfactant catalyst in aqueous media and under microwave irradiation. The present method is operationally simple and the use of water as the reaction medium makes the process environmentally benign. The epoxydicoumarins 5 were then obtained with a good yield by heating 3,3'-arylidenebis-4-hydroxycoumarins 2 in acetic anhydride. Techniques such as elemental analysis, 1H, 13C-1H NMR, and infrared spectroscopy were employed to characterize these compounds. The synthesized compounds displayed good antibacterial potential against Escherichia coli (ATCC 25988), Pseudomonas aeruginosa (ATCC 27853), Klebsilla pneumonia (ATCC 700603), Staphylococcus aureus (ATCC 29213), methicillin-resistant Staphylococcus aureus (ATCC 43300) and Candida albicans (ATCC 14053). The MIC values of 23 mg/mL for compound 5e against Escherichia coli (ATCC 25988) and 17 mg/mL for 2a were observed. Furthemore, a molecular docking simulation has been performed to evaluate the antibacterial activities and the probable binding modes of the studied compounds 2a-f and 5a-g toward the active sites of a series of well known antibacterial targets. Among the investigated compounds, the binding modes and docking scores demonstrate that 2a has the most antibacterial and antifungal activities. Additionally, DPPH (2,2-diphenyl-1-picrylhydrazyl) and ABTS has been tested for their ability to scavenge hydrogen peroxide and free radicals. According to our results, these compounds exhibit excellent radical scavenging properties. Furthermore, compounds 2-5 were evaluated for anti-inflammatory activity by indirect haemolytic and lipoxygenase inhibition assays and revealed good activity.

Synthesis, Characterization, Antimicrobial Properties, and Antioxidant Activities of Silver-N-Heterocyclic Carbene Complexes.

The emergence of antimicrobial resistance has become a major handicap in the fight against bacterial infections, prompting researchers to develop new, more effective, and multimodal alternatives. Silver and its complexes have long been used as antimicrobial agents in medicine because of their lack of resistance to silver, their low potency at low concentrations, and their low toxicity compared to most commonly used antibiotics. N-Heterocyclic carbenes (NHCs) are widely used for coordination of transition metals, mainly in catalytic chemistry. In this study, several N-alkylated benzimidazolium salts 2a-j were synthesized. Then, the N-heterocyclic carbene (NHC) precursor was treated with Ag2O to give silver (I) NHC complexes (3a-j) at room temperature in dichloromethane for 48 h. Ten new silver-NHC complexes were fully characterized by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FT-IR), elemental analysis, and LC-MSMS (for complexes) techniques. The antibacterial and antioxidant activities of salt 2 and its silver complex 3 were evaluated. All of these complexes were more effective against bacterial strains than comparable ligands. With MIC values ranging from 6.25 to 100 g/ml, the Ag-NHC complex effectively showed strong antibacterial activity. Antioxidant activity was also tested using conventional techniques, such as 2, 2-diphenyl-1-picrylhydrazine (DPPH) and hydrogen peroxide scavenging assays. In DPPH and ABTS experiments, compounds 3a, 3b, 3c, 3e, 3g, and 3i showed significant clearance.

Plausible PEPPSI catalysts for direct C-H functionalization of five-membered heterocyclic bioactive motifs: synthesis, spectral, X-ray crystallographic characterizations and catalytic activity.

In this study, a series of benzimidazolium salts were synthesized as asymmetric N-heterocyclic carbene (NHC) precursors. Nine novel palladium complexes with the general formula [PdX2(NHC)(pyridine)] were synthesized using benzimidazolium salts in the PEPPSI (Pyridine Enhanced Precatalyst Preparation, Stabilization and Initiation) theme. All synthesized Pd(ii) complexes are stable. The synthesized compounds were thoroughly characterized by respective spectroscopic techniques, such as 1HNMR, 13C NMR, FTIR spectroscopy, X-ray crystallography and elemental analysis. The geometric structure of the palladium N-heterocyclic carbene has been optimized in the framework of density functional theory (DFT) using the B3LYP-D3 dispersion functional with LANL2DZ as a basis set. The on/off mechanism of pyridine assisted Pd-NHC complexes made them the best C-H functionalized catalysts for regioselective C-5 arylated products. Five membered heterocyclic compounds such as 2-acetyl furan, furfuryl acetate 2-acetylthiophene and N-methylpyrrole-2-carboxaldehyde were treated with numerous aryl bromides and arylchlorides under optimal catalytic reaction conditions. Interestingly, all the prepared catalysts possessed essential structural features that facilitated the formation of desired coupling products in quantitative yield with excellent selectivity. The arylation reaction of bromoacetophenone was highly catalytically active with only 1 mol% catalyst loading at 150 °C for 2 hours. To check the efficiency of the synthesized complexes, three different five member heterocyclic substrates (2-acetylfuran, 2-acetylthiophen, 2-propylthaizole) were tested with a number of aryl bromides bearing both electron-donating and electron-withdrawing groups on para position. The data in Tables 2-4. Indicated that electron-donating groups on the para position of aryl halide decreased the catalytic conversion while electron-withdrawing groups increased the catalytic conversion this was due to the high nucleophilicity of the electron-donating substituents.

Insects as an alternative protein source for poultry nutrition: a review.

This review summarizes the most relevant scientific literature related to the use of insects as alternative protein sources in poultry diets. The black soldier fly, the housefly, the beetle, mealworms, silkworms, earthworms, crickets, and grasshoppers are in the spotlight because they have been identified as an important future source of sustainable animal proteins for poultry feeding. Insect meals meet poultry requirements in terms of nutritional value, essential amino acid composition, nutrient digestibility, and feed acceptance. Furthermore, they are enriched with antimicrobial peptides and bioactive molecules that can improve global health. Results from poultry studies suggest equivalent or enhanced growth performances and quality of end-products as compared to fish meal and soybean meal. To outline this body of knowledge, this article states established threads of research about the nutrient profiles and the digestibility of insect meals, their subsequent effects on the growth and laying performances of poultry as well as the quality of meat, carcass, and eggs. To fully exploit insect-derived products, the effects of insect bioactive molecules (antimicrobial peptides, fatty acids, and polysaccharides) were addressed. Furthermore, as edible insects are likely to take a meaningful position in the feed and food chain, the safety of their derived products needs to be ensured. Some insights into the current knowledge on the prevalence of pathogens and contaminants in edible insects were highlighted. Finally, the effect of insect farming and processing treatment on the nutritive value of insect larvae was discussed. Our overview reveals that using insects can potentially solve problems related to reliance on other food sources, without altering the growth performances and the quality of meat and eggs.