Two novel pyridazinone-based derivatives, namely: N-(8-((5-methylthiophen-2-yl)methylene)-9-oxo-6-phenyl-4-thioxo-3,4,8,9-tetrahydropyridazino [1,2-a][1,2,4,5]tetrazin-1-yl)dodecanamide (PTD), and N'-(1,3-diphenyl-1H-pyrazol-4-yl)methylene)-4-((5-methylthiophen-2-yl)methylene)-3-oxo-6-phenyl-3,4-dihydropyridazine-1(2H) carbothiohydrazide (PPT), were successfully synthesized via thiocarbohydrazide intermediate and fully characterized using spectroscopic and elemental analysis. Their corrosion inhibition performance for mild steel (MS) in 1 M HCl was evaluated using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques, complemented by density functional theory (DFT) calculations and Monte Carlo (MC) simulations. Electrochemical results revealed that both compounds act as efficient mixed-type inhibitors, significantly reducing corrosion current density without changing the basic mechanism of corrosion. The inhibition efficiency increased with concentration, reaching maximum values of 95.98% for PPT and 92.4% for PTD at 1×10−3 M. EIS measurements confirmed the creation of a protective adsorbed film, as indicated by increased charge-transfer resistance (Rct) and decreased double-layer capacitance (Cdl). The Langmuir isotherm model was followed by PTD and PPT adsorption on the MS surface, suggesting monolayer adsorption behavior. The calculated standard adsorption free energy (ΔG°ads ≈ −38 kJ·mol−1) suggested a spontaneous mixed adsorption mechanism involving both physisorption and chemisorption. Surface analysis using optical profilometry demonstrated a substantial decrease in surface roughness to 10.9 μm in the presence of PPT, confirming effective surface protection. DFT calculations demonstrated that PPT possesses higher reactivity, lower energy gap, and stronger electron-donating ability compared to PTD, correlating well with experimental findings. MC simulations further confirmed strong and spontaneous adsorption of both inhibitors on the Fe (110) surface, with PPT exhibiting superior adsorption energy and stability. Overall, the experimental and theoretical results indicate that PPT and PTD are highly effective corrosion inhibitors, with PPT showing superior performance due to its enhanced electronic properties and adsorption capability.

Chitosan-based polymeric composites have emerged as a promising class of sustainable corrosion inhibitors (CIs), offering a compelling combination of adaptability, affordability, and eco-friendliness. This review critically analyzes recent advancements in the development of chitosan composites and related synthetic polymers for corrosion protection in aqueous environments. It specifically elucidates how targeted chemical functionalization such as grafting with synthetic polymers or introducing heteroatom-rich groups directly enhances solubility and inhibition performance by augmenting key mechanisms like electrostatic adsorption on negatively charged metal surfaces and chelation of dissolved metal ions. The review provides a foundational overview of corrosion mechanisms and systematically evaluates how structural factors, including molecular weight, chain flexibility, and crosslinking density, govern inhibitor efficacy. Moving beyond generic claims, the work assesses the strengths and limitations of various modification strategies, illustrated through case studies on engineered polymers like polyaniline derivatives, grafted chitosan, and functionalized polyethyleneimine. A critical focus is placed on advanced composite strategies, particularly the incorporation of nanomaterials (e.g., ZnO, SiO₂, carbon dots) to create synergistic barriers and enable self-healing properties. Furthermore, this review directly addresses the significant disparity between the high inhibition efficiencies reported in idealized laboratory studies and the formidable challenges of real-world application. These challenges include performance under extreme pH, temperature, and pressure conditions, long-term stability, and regulatory hurdles. By synthesizing these insights, this review aims to provide a clear roadmap for the rational design of the next generation of high-performance, chitosan-based inhibitors that are capable of transitioning from the lab to industrial implementation.

The current study introduces the first voltammetric approach for the quantitation of the recently approved anticancer medication dacomitinib (DCN). The developed method is based on examining the electrode's voltammetric behavior with carbon paste. In this approach, both square wave and cyclic voltammetry were used. To achieve a satisfactory sensitivity, the measuring instrumental parameters were carefully studied using square‐wave voltammetry. The limits of detection and quantitation were 6.7 × 10−7 and 2.0 × 10−6 M, respectively, indicating the method's high sensitivity. The anodic peak current increased linearly with DCN concentration over the range of 2.3 × 10−6–1.5 × 10−5 M upon adjusting the pH at 4 with Britton–Robinson buffer. The electrochemical method was fully validated as per the International Council of Harmonization (ICH) guidelines. The inter‐ and intra‐assay precision relative standard deviation (%RSD) values were ≤1.809. This approach was applied to determine the drug in its pharmaceutical tablets (Vizimpro) with satisfactory %recoveries (98.8–100.9). The statistical results were favorably compared to those provided by a reported spectrofluorimetric method. The greenness and eco‐friendliness of the designed approach were demonstrated using the Green Analytical Procedure Index (GAPI) and Analytical GREEnness (AGREE) tools, suggesting its usage as an environmentally friendly alternative for the routine assay of the investigated drug.

Background: Early diagnosis and treatment of neonatal sepsis are crucial to cut off its major medical consequences: lifelong morbidities, neurodevelopmental disabilities, and a high number of neonatal mortalities. Aim of the Work: This study is aimed at determining the diagnostic and prognostic performance of CD11b as a sepsis biomarker for detecting neonatal sepsis at early stages compared to nCD64 and the other conventional sepsis parameters. Methods: Two hundred eleven neonates were enrolled from three Egyptian neonatal ICUs (NICUs), and they were classified into two main groups: the control group (n = 101) and the sepsis group (n = 110). Enrolled neonates were subjected to full sepsis screening, including complete blood count (CBC), C-reactive protein (CRP), blood cultures, and flow cytometry analysis for both CD64 and CD11b on the neutrophil surface (results represented as a percentage (percent) and mean fluorescent intensity (MFI) units for either biomarker). Results: nCD64% (median = 44.15%) was significantly enhanced in the sepsis group compared to the controls (median = 25%), achieving 90.8% specificity, 92.8% sensitivity, and AUC = 0.894, respectively. CD64 MFI and CD11b MFI could differentiate between sepsis and control groups but with low undesirable diagnostic performance (sensitivity: 72.5% and 59.1%; specificity: 54.4% and 69.4%; AUC: 0.634 and 0.144, respectively). CD11b% could not discriminate between sepsis and control neonates (sensitivity and specificity of 31.8% and 73.6%, respectively) with an AUC of 0.405. hs-CRP had moderate diagnostic performance, achieving sensitivity and specificity of 69% and 78.15%, respectively, and AUC = 0.586. ROC analysis showed that combined hs-CRP and CD64% results had the highest sensitivity and specificity in the current study, being 93.9% and 97.2%, with AUC = 0.938, respectively. Conclusion: CD64%, CD64 MFI, CD11b MFI, and hs-CRP are increased in neonates with sepsis comparable to the controls. CD64% has a superior diagnostic performance comparable to nCD11b and hs-CRP. Combined nCD64 with hs-CRP measurement can provide rapid and accurate diagnostic modality for sepsis diagnosis in correlation with the patient's clinical condition and context with the results of other hematological indices; neutrophil CD64 can be routinely applicable in NICUs for better sepsis management. It is statistically evident that nCD11b is less ideal compared to nCD64 as a diagnostic, prognostic, or monitoring sepsis marker.

Two new N-Functionalized and annulated Pyridazinone derivatives namely 3-oxo-6-phenyl-4-(thiophen-2-ylmethylene)-N-tridecanoyl-3,4 dihydropyridazine-1(2H)-carbothioamide (NPD) and 8-phenyl-6-(thiophen-2-ylmethylene)-1-thioxo-3-undecyl-1H[1,2,4]triazolo[1,2a]pyridazine-5(6H)-one (FPD) were synthesized through an environmentally eco-friendly route. The structures of the new compounds were designed through the strategic integration of long-chain alkyl substituents with a hetero annulated pyridazinone moiety, aiming to enhance surface adsorption and used as efficient corrosion inhibitors for carbon steel (C-steel) in 1 M hydrochloric acid solution. The molecular structures of prepared materials were elucidated using FTIR, 1HNMR, 13CNMR, mass spectroscopy and elemental analysis. Electrochemical studies revealed high inhibition efficacies of 93.5 % (NPD) and 97.4 % (FPD) at concentration 5 × 10−4 M, with corrosion current densities (icorr) reduced from 1150 μA·cm−2 (blank counterpart) to 66.2 μA·cm−2 (NPD) and 19.5 μA·cm−2 (FPD). Moreover, the charge transfer resistance (Rct) value of C-steel shows a significant increase from 17.5 Ω·cm2 (blank) to 267.8 Ω·cm2 (NPD) and 679.4 Ω·cm2 (FPD), indicating the formation of a dense protective film. The potentiodynamic polarization (PDP) data show that the performance of NPD and FPD derivatives as a mixed-type inhibitors, but predominantly the cathodic nature. Adsorption of these derivatives on the steel surface followed Langmuir isotherm model. SEM and, XRD analysis confirmed the adsorption of Pyridazinone derivatives on the C-steel surface and thereby decreasing the corrosion products (Fe-oxides and chlorides). Furthermore, computation studies of DFT and Monte Carlo simulations revealed that electron-rich heteroatoms and the fused heterocyclic framework strongly enhance adsorption affinity on Fe(110), supporting the experimental findings.

The new era of solid contact ion selective electrodes (SC-ISEs) miniaturized design has received an extensive amount of concern. Because it eliminated the requirement for ongoing internal solution composition optimization and created a two-phase system with stronger detection limitations. Herein, the determination of venlafaxine HCl is based on a comparison study between different ion- to electron transduction materials (such as; multiwalled carbon nanotubes (MWCNTs), polyaniline (PANi), and ferrocene) and illustrating their mechanisms in their applied sensors. Their different electrochemical features (such as bulk resistance (Rb**), double-layer capacitance (Cdl), geometric capacitance (Cg), and specific capacitance (Cp)) were evaluated and discussed by using the Electrochemical Impedance Spectroscopy (EIS), Chronopotentiometry (CP), and Cyclic Voltammetry (CV) experiments. The results indicated that each transducer's influence on the proposed sensor's electrochemical characteristics is determined by their unique chemical and physical properties. The electrochemical features vary for different solid contact materials used in transduction mechanisms. The results confirm that the MWCNT sensor revealed the best electrochemical behavior with the potentiometric response of a near-Nernestian slope of 56.1 ± 0.8 mV/decade with detection limits of 3.8 × 10−6 mol/L (r2 = 0.999) and a low potential drift (∆E/∆t) of 34.6 µV/s. Also, the selectivity study was performed in the presence of different interfering species either in single or complex matrices. This demonstrates excellent selectivity, stability, conductivity, and reliability as a VEN-TPB ion pair sensor for accurately measuring VEN in its various formulations. The proposed method was compared to HPLC reported technique and confirmed no significant difference between them. So, the proposed sensors fulfill their solutions' demand features for VEN appraisal.

AbstractGreen and efficient agro-waste-based activated carbon has been prepared utilizing peanut shells for adsorptive elimination of an industrial dye, methylene blue, and lead from polluted water. The carbonaceous biomass obtained from peanut shells was chemically activated using either NaOH, ZnCl2, or steam and characterized by scanning electron microscopy, Fourier-transform infrared spectroscopy, and N2 adsorption and desorption studies. The adsorption process was optimal for methylene blue at alkaline pH, while pH 4.5 was optimal for Pb (II) adsorption. The adsorption takes place through pseudo-second-order kinetic, and the rate-governing step of the adsorption procedure are intraparticle diffusion and film diffusion. Furthermore, the thermodynamics of the adsorption process has been studied, and the obtained Gibbs free energy (ΔG°) values are negative (− 35.90 to − 43.59 kJ mol−1) indicating the spontaneous adsorption of the investigated pollutants on the prepared activated carbon. As per the correlation coefficient, the obtained results were best fit by the Langmuir isotherm with maximum adsorption capacity of 303.03 mg g−1 for methylene blue and 130.89 mg g−1 for Pb (II). The activated carbon successfully removed methylene blue and Pb (II) with %removal exceeding 95%. The mechanisms of interaction of Pb (II) with the activated carbon is a combination of electrostatic interaction and ion exchange, while methylene blue interacts with the activated carbon via π–π interaction, hydrogen bonds, and electrostatic interaction. Thus, the prepared activated carbon has been employed to decontaminate wastewater and groundwater samples. The developed agro-waste-based activated carbon is a promising, cost-efficient, green, and accessible tool for water remediation.

Aldehydes are carbonyl compounds that are highly reactive and extensively abundant in nature. Aldehydes are biomarkers for oxidative stress-linked disorders since they are formed as a result of oxidative processes. Aldehydes may occur in food as a result of food processing or degradation, and their level has been utilized as a guide of food quality level. Therefore, aldehydes are identified in biological and food samples as illness indicators and as by-products of food manufacturing, respectively. Among analytical methodologies, chromatographic methods are the most used for the simultaneous determination of various aldehydes. However, chromatographic methods consume a lot of harmful organic solvents and reagents. Hence, herein, a comprehensive greenness evaluation of the reported chromatographic methods for aldehydes has been conducted using AGREE—Analytical GREEnness Metric. This review helps to recommend those methods that are eco-friendly to be further used for the assay of aldehydes in versatile samples.

Myeloid leukemia is a chronic cancer, which associated with abnormal BCR-ABL tyrosine kinase activity. Imatinib (IMB) acts as a tyrosine kinase inhibitor and averts tumor growth in cancer cells by controlling cell division, so it is urgent to develop an effective assay to detect and monitor its IMB concentration. Therefore, an innovative fluorescent biomimetic sensor is a promising sensing material that constructed for the efficient recognition of IMB and displays excellent selectivity and sensitivity stemming from molecularly imprinted polymer@Fe3O4 (MIP@Fe3O4). The detection strategy depends on the recognition of IMB molecules at the imprinted sites in the presence of coexisting molecules, which are then transferred to the fluorescence signal. The synthesized MIP@Fe3O4 was characterized using Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and atomic force microscopy (AFM). Furthermore, computational studies of the band gap (EHOMO-ELUMO) of the monomers, IMB, and their complexes were performed. These results confirmed that the copolymer is the most appropriate and has high stability (Binding energy; 0.004 x 10-19 KJ) and low reactivity. A comprehensive linear response over IMB concentrations from 5 × 10-6 mol/L to 8 × 10-4 mol/L with a low detection limit of 9.3 × 10-7 mol/L was achieved. Furthermore, the proposed technique displayed long-term stability (over 2 months), high intermediate precision (RSD<2.1 %), good reproducibility (RSD <1.9 %), and outstanding selectivity toward IMB over analogous molecules with similar chemical and spatial structure (no interference by 100 to 150-fold of the competitors). Owing to these merits, the proposed fluorescence sensor was utilized to detect IMB in drug tablets and human plasma, and satisfactory results (99.3-100.4 %) were obtained. Thus, the synthesized fluorescence sensor is a promising platform for IMB sensing in various applications.

Computer-aided drug design has been employed to get the medicinal effects against Corona virus from different pyridine derivatives after synthesizing the new compounds. Additionally, various computational studies are also employed between the newly prepared pyridine derivatives and three controls against three proteins (6Y2E, 6M71 and 6M3M). Different methods were employed to synthesize new pyridine derivatives according to the literature using different reaction mediums. MTT was performed for cytotoxicity study and IC50 for inhibitory concentration. Additionally, in-silico studies including DFT, molecular docking, molecular dynamics, MMPBSA, ADME, pharmacokinetics and Lipinski rules were evaluated. The chemical structures of all new compounds were elucidated based on spectroscopic investigation. A molecular docking study demonstrated that compounds 5, 11, and 12 have the best binders of the SARS-CoV-2 main protease enzyme, with energy scores of − 7.5 kcal/mol, − 7.2 kcal/mol, and − 7.9 kcal/mol, respectively. The net binding energy values of the 11-Mpro, 12-Mpro, and 5-Mpro complexes revealed their highly stable nature in terms of both intermolecular interactions and docked conformation across the simulation time. ADME properties, besides the pharmacokinetics and Lipinski rules, showed that all seven newly synthesized compounds follow Lipinski rules with high GI absorption. The In Vitro antiviral study against SARS-CoV-2 using MTT methods confirms that compound 5 has more potential and is safer than other tested compounds. The study shows that the newly synthesized pyridine derivatives have medicinal properties against SARS-CoV-2 without violating Lipinski rules. Compounds 5, 11, and 12, particularly compound 5, may serve as promising potential candidate for COVID-19.

There is a growing concern about how microplastics could harm human health and ecosystems. The ability of microplastics to transport hydrophobic organic contaminants is well recognized. The potential for hydrophilic compounds, such as pharmaceuticals, to be adsorbed onto plastic substrates has been demonstrated by a recent study on these chemicals. Due to their extensive use, these substances are now pervasively in the environment and coexist with microplastics. Particular matrices' physical and chemical characteristics control how plastics and pharmaceuticals are distributed and what happens when vectors transport them. This chapter's objectives were to summarize and assess the various microplastic-pharmaceutical interactions and factors that affect the fate and mobility of hydrophilic chemicals, such as medications and personal care products (PPCPs), as well as their adsorption on microplastic surfaces. Kinetic microplastic investigations that have mostly focused on antibiotics have drawn some attention to a number of PPCP compounds, including steroidal hormones, antibacterial treatments, and nonsteroidal anti-inflammatory drugs (NSAIDs). The chapter also examines ecological factors that impact medicines, such as the sorption of PPCPs onto microplastics, such as pH, salinity, and dissolved organics. The ecotoxicological impacts of microplastics absorbed by PPCP on ecosystems and human health are also being investigated.

An innovative voltammetric sensor was developed to estimate omarigliptin, a novel long-acting anti-diabetic drug. The sensorutilized a carbon paste electrode enhanced with a nanocomposite of carbon nanotubes and electrodeposited gold nanoparticles. Themodified electrode was characterized using scanning electron microscopy and electrochemical impedance spectroscopy. Themodification significantly improved the electrode's sensitivity and electrochemical efficiency and decreased its electron transferresistance. The surface area of the modified electrode increased by about 2.8-fold compared to the bare electrode. Omarigliptin'soxidation behavior on the modified electrode was pH-dependent and irreversible, resulting in a peak current 4 times higher than theunmodified electrode. The modified electrode revealed good reproducibility, reusability, and stability. It allows for sensitivevoltammetric analysis of omarigliptin over a linear range of 0.4-27 mu M (LOD=0.12 mu M) and good applicability in tablets andplasma. The recovery percentages were 98.47%-101.27% in tablets and 95.86%-105.02% in plasma. The modified electrodeexhibits good selectivity towards omarigliptin without interference from tablet excipients, endogenous plasma components, and co-administered drugs. The comparison with the reported methods reveals the superiority of the proposed method in terms ofsensitivity, selectivity, applicability, and eco-friendliness. Finally, the proposed method demonstrates excellent environmentalprofiles based on recent assessment metrics.(c) 2024 The Electrochemical Society ("ECS"). Published on behalf of ECS by IOP Publishing Limited. All rights, including fortext and data mining, AI training, and similar technologies, are reserved. [DOI:10.1149/1945-7111/ad8f02]

One of the most common viral infections worldwide is the Human Papilloma Virus (HPV) which has been linked to cancer and other diseases in many countries. Monosaccharide esters are significant in the field of carbohydrate chemistry because they are efficient in the synthesis of pharmacologically active compounds. Therefore, the present study aimed to perform thermodynamic, molecular docking and molecular dynamics study of a series of previously designed monosaccharaides, methyl β-d-galactopyranoside (MGP, 1) esters (2-10) with along with their physicochemical and pharmacokinetic properties. We have optimized the MGP esters employing the DFT study at the B3LYP/6-311 + G (d,p) level of theory. The subsequent analysis also investigated the electronic energies, enthalpies, entropies, polarizability, and natural bond orbital (NBO) of these modified esters. Then, MGP esters were docked into CTX-M-15 extended-spectrum beta-lactamase from Escherichia coli (PDB: 4HBT) and E2 DNA-binding domain from human papillomavirus type 31 (PDB: 1A7G), and the results revealed that most of the esters can efficiently bind to the target. Desmond was used to doing molecular dynamics simulations at 200 ns in addition to molecular docking to look at the binding conformational stability of the protein-ligand complex. Based on RMSD and RMSF, it was determined that the stability of the protein-ligand combination was maintained during the whole 200 ns simulations for all compounds. Finally, a pharmacokinetic study suggests that modified esters of MGP exhibited better pharmacokinetic characteristics and were less hazardous than the parent drug. This work demonstrated that potential MGP esters can efficiently bind to 4HBT and 1A7G proteins and opened avenues for the development of newer antimicrobial agents that can target dangerous pathogens.Communicated by Ramaswamy H. Sarma.

The strategic planning of this study is based upon using the nanoformulation method to prepare nanoparticles 4-SLNs and 4-LPHNPs of the previously prepared 4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine (4) after confirming its structure with single crystal X-ray analysis. These nanoparticles exhibited promising cytotoxic activity against HepG-2, HCT-116 and MCF-7 cancer cell lines in comparison with the reference doxorubicin and the original derivative 4. Moreover, their inhibitory assessment against EGFR and CDK-2/cyclin A2 displayed improved and more favorable impact than the parent 4 and the references. Detection of their influence upon cancer biomarkers revealed upregulation of Bax, p53 and caspase-3 levels and downregulation of Bcl-2 levels. The docking simulation demonstrated that the presence of the pyrazolo[3,4-c]pyridazin-3-amine scaffold is amenable to enclosure and binding well within EGFR and CDK-2 receptors through different hydrophilic interactions. The pharmacokinetic and physicochemical properties of target 4 were also assessed with ADME investigation, and the outcome indicated good drug-like characteristics.

Heterocyclic compounds are one of the largest family of organic compounds with broad range of applications in medicinal chemistry and agrochemicals product. Bis-heterocycle and their families have had a significant development of new anticancer drugs according to the literature data published in recent years. Bis-heterocyclic compounds are present in various pharmaceuticals with unique physicochemical properties and have been confirmed as major pillars of medicinal chemistry. Anticancer research has been focused on these molecules' versatility and dynamic core structure. The presented review aims to summarize different bis-heterocyclic active compounds and their beneficial functions as drug targets in cancer therapy and chemoprevention.

New quinazolinone and fused quinazoline derivatives are prepared from the reaction of 3,1-benzoxazine-3(4H)-one with different amines. Treatment of 3,1-benzoxazinone 3 with hydrazine hydrate afforded 3-amino-quinazolinone derivative 5 which then used as a key synthesis for different Schiff base compounds 6-8. Synthesis of new fused quinazoline derivatives 9, 10 are achieved from the reaction of 3,1-benzoxazinone with cyanoacetohydrazide or thiocarbohydrazide. The chemical structures of the new synthesized compounds were elucidated based on their spectroscopic analysis. Antimicrobial activities of the designated compounds were studied in vitro toward different pathogenic microbes. Drug-likeness and ADMET properties of the new synthesized compounds were calculated to predict the pre-study of clinical phases as drug molecule, and most of the new compounds fit Lipinski rule and have good bioavailability. Molecular docking studies of all new synthesized compounds were performed into the active site of different macromolecules including bacterial and fungus species and exhibiting good binding energy extended from -5.20 to -10.35 Kcal/mol.

Aim of present study was to synthesize a novel chitosan-quercetin (CTS-QT) complex by making a carbodiimide linkage using maleic anhydride as cross-linker and to investigate its enhanced antibacterial and antioxidant activities as compare to pure CTS and QT. Equimolar concentration of QT and maleic anhydride were used to react with 100 mg CTS to form CTS-QT complex. For this purpose, three bacterial strains namely E. Coli, S. Aureus and P. Aeruginosa were used for in-vitro antibacterial analysis (ZOI, MIC, MBC, checker board and time kill assay). Later molecular docking studies were performed on protein structure of E. Coli to assess binding affinity of pure QT and CTS-QT complex. MD simulations with accelerated settings were used to explore the protein-ligand complex's binding interactions and stability. Antioxidant profile was determined by performing DPPH center dot radical scavenging assay, total antioxidant capacity (TAC) and total reducing power (TRP) assays. Delivery mechanism to CTS-QT complex was improved by synthesizing polycaprolactone containing microspheres (CTS-QT-PCL-Levo-Ms) using Levofloxacin as model drug to enhance their antibacterial profile. Resulted microspheres were evaluated by particle size, charge, surface morphology, in-vitro drug release and hemolytic profile and are all were found within limits. Antibacterial assay revealed that CTS-QT-PCL-Levo-Ms showed more than two folds increased bactericidal activity against E. Coli and P. Aeruginosa, while 1.5 folds against S. Aureus. Green colored formation of phosphate molybdate complexes with highest 85 +/- 1.32% TAC confirmed its antioxidant properties. Furthermore, molecular docking and dynamics studies revealed that CTS-QT was embedded nicely within the active pocket of UPPS with binding energy greater than QT with RSMD value of below 1.5. Conclusively, use of maleic acid, in-vitro and in-silico antimicrobial studies confirm the emergence of CTS-QT complex containing microspheres as novel treatment strategy for all types of bacterial infections. Communicated by Ramaswamy H. Sarma

BACKGROUND: Weaning from mechanical ventilation is a challenging phase of neonatal respiratory support [1]. Choosing efficient and safe noninvasive modality to prevent re-intubation and choosing the optimal time for weaning are key points for weaning success. The aim of the study is to compare the efficiency and safety of noninvasive high frequency oscillatory ventilation (NHFOV) versus noninvasive positive pressure ventilation (NIPPV) as respiratory support after extubation in preterms with respiratory distress syndrome (RDS). Also, the study compared the lung ultrasound findings between these 2 modalities and assessed the use of lung ultrasound score (LUS) as predictor for extubation outcome. METHODS: This study is a randomized controlled trial conducted on 60 preterm neonates with RDS. Patients were allocated into one of 2 groups: NIPPV or NHFOV as post-extubation noninvasive respiratory support. The 2 groups were compared regarding the incidence of extubation failure within 72 hours from extubation, oxygen needs, duration of application of the noninvasive modality, duration of admission, safety and mortality rate. LUS was assessed pre-extubation and 2 hours post-extubation. RESULTS: The study did not show a statistically significant difference in re-ventilation rate in NHFOV group (23.3%) compared to NIPPV group (30.0%), p = 0.56. Oxygen needs were significantly lower in NHFOV group compared to NIPPV groups (mean FiO2 31.8±6.09 vs 38±0.55, p = 0.007). The duration of the used noninvasive modality, CO2 concentration, LUS, and mortality rate showed statistically insignificant difference between both groups. There was a significant correlation between LUS and extubation outcome. CONCLUSION: NHFOV is a feasible noninvasive modality for respiratory support post-extubation in premature infants. LUS is a good predictor of extubation outcome in neonates.

In 2020, World Health Organization declared a pandemic due to acute respiratory syndrome coronavirus (SARS‐CoV‐2). COVID-19 is an extremely infective disease that has become a global health risk. In response to this crisis, various methods have been elaborated for the diagnosis of COVID-19. Recently, the global trend has been toward greener analytical procedures for the protection of the environment and humans. Therefore, some green metrics have been designed for the assessment of the environmental impact of analytical methods. The Analytical GREEnness metric (AGREE) software has been applied herein to appraise the greenness character of the analytical techniques used for diagnosis of COVID-19. Furthermore, special AGREE software for sample preparation (AGREEprep) has been applied to assess the sample treatment procedures, especially those preceding LC-MS. The total scores were compared, and the strength/weakness points were highlighted for each diagnostic technique. This study revealed that the best eco-performance is achieved by immunoassay techniques.

Reactions of 4H-3,1-benzoxazin-4-one 3 with various nitrogen nucleophiles; sodium azide, hydroxylamine hydrochloride, ammonium acetate, and formamide afforded new N-heterocyclic compounds 4-7. The synthesized quinazolinone derivative 7 was used as a useful building block for further synthesis of new series of N3-functionalized quinazolinone compounds 8-12. The chemical structures of all synthesized heterocyclic compounds were deduced from their spectroscopic analyses. The antimicrobial activity of the new compounds was evaluated against several pathogenic microorganisms, and most of them showed remarkable activity comparable to the antibacterial Ciprofloxacin and antifungal Clotrimazole.