Cis-Dioxido-molybdenum(VI) complexes of tridentate ONO hydrazone Schiff base: Synthesis, characterization, X-ray crystal structure, DFT calculation and catalytic activity

Two new cis-MoO₂ [MoO₂(L)(EtOH)] (1), [MoO₂(L) (Py)] (2) [L: (3-methoxy-2oxidobenzylidene)benzohydrazidato], complexes have been synthesized and fully characterized on the basis of elemental analysis, FT-IR, molar conductivity, ¹H NMR, ¹³C NMR and electronic spectra. The structure of complexes has been accomplished by single crystal X-ray diffraction. All experimental results confirmed that both complexes have an octahedral geometry around the Mo(VI) central atom, which is coordinated by the donor atoms of the dianionic hydrazone ligand, two oxido groups and oxygen/nitrogen atoms of solvent molecules. Computational studies were also performed using DFT calculations at B3LYP/DGDZVP level of theory. Furthermore, their catalytic activities were investigated on the electrophilic reaction of indole with aldehydes in molten tetrabutyl ammonium bromide (TBAB) to obtain bis(indolyl)methane derivatives

Diagnostic and Therapeutic Costs of Patients With a Diagnosis of Or Suspected of Coronavirus Disease in Iran

Objectives: To understand the social and individual effects of the disease and make decisions on the allocation of health resources, it is necessary to understand the economic burden of coronavirus disease (COVID-19); however, there are limited data in this field. This study aimed to estimate diagnostic and therapeutic costs of patients with a diagnosis of or suspected of COVID-19 disease admitted to hospitals in northeast Iran. Methods: This descriptive and analytical research was conducted as a retrospective study using the data collected from 2980 patients admitted to 30 hospitals from February to April 2020 in Iran. For data collection, an appropriate data capture tool was designed to record detailed resource use. A multivariate regression analysis was performed to examine the association between the treatment costs and sociodemographic, disease severity, and underlying diseases. Data were analyzed using Excel 2017 (Microsoft, Redmond, WA) and SPSS version 21 software (SPSS Inc., Chicago, IL). Results: The inpatient costs per patient were Int$416, of which 74% were paid by social health insurance systems, 19% by the government, and 7% by the patients. The largest cost components were hoteling (37%) and medicine (36%). The 4 subscales of age, sex, underlying disease, and severity predicted 48.6% of the cost variance. Conclusion: Understanding the economic consequences of diseases can help policymakers to make plans to reduce out-of-pocket payments and make plans for funding. Since COVID-19 is a newly emerging disease and there is no definitive cure for the disease, the discovery of an effective medicine may alter medical costs and reduce the hospital length of stay, therefore significantly reducing treatment costs

A new mixed-ligand copper(II) complex of (E)-N′-(2-hydroxybenzylidene) acetohydrazide: Synthesis, characterization, NLO behavior, DFT calculation and biological activities

A tridentate hydrazone Schiff base ligand, (E)-N′-(2- hydroxybenzylidene)acetohydrazide [HL], and its mixed-ligand Cu(II) complex [CuL(phen)], have been synthesized and characterized by elemental analyses, FT-IR, molar conductivity, UV–Vis spectroscopy. The structure of the complex has been determined by X-ray diffraction. This complex has square pyramidal geometry and the positions around central atom are occupied with donor atoms of Schiff base ligand and two nitrogens of 1,10-phenanthroline. Computational studies of compounds were performed by using DFT calculations. The linear polarizabilities and first hyperpolarizabilities of the studied molecules indicate that these compounds can be good candidates of nonlinear optical materials. It is in accordance with experimental data. In addition, invitro antimicrobial results show that these compounds specially [CuL(phen)] have great potential of antibacterial activity against Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, Listeria monocytogenes bacteria and antifungal activity against Candida Albicans in comparison to some standard drugs

Two ligand oxidio-vanadium(IV) complexes as novel efficient catalysts in multicomponent reactions for synthesis of tetrahydrobenzopyran derivatives

Two ligand oxido-vanadium(IV) complexes, [VO(L)(bipy)] (Ι) and [VO(L)(phen)] (ΙΙ); [H2L: 4-bromo-2-(((5-chloro-2-hydroxyphenyl)imino)methyl)phenol, bipy: 2,2’-bipyridine and phen: 1,10- phenanthroline], have been synthesized and characterized by elemental analysis, FT-IR, UV-Vis and conductivity measurements. These complexes, as new catalysts, were also used to synthesize the tetrahydrobenzopyran derivatives by three-component reaction of cyclic β-dicarbonyl compounds, malononitrile and aromatic aldehydes, in EtOH, at reflux. Inexpensiveness, stability and the potential of being easily obtained can be noted as preponderance of these catalysts. Furthermore, high conversions, short reaction times and cleaner reaction profiles, are some of the advantages of this method. These catalysts can be recovered and reused several times without loss of activity