Four new tin(II), uranyl(II), vanadyl(II), and zirconyl(II) alloxan biomolecule complexes: synthesis, spectroscopic and thermal characterizations

ABSTRACT. The alloxan as a biomolecule ligand has been utilized to synthesize thermodynamically and kinetically stabilized four new tin(II), uranyl(II), vanadyl(II), and zirconyl(II) complexes. In the complexes, tin(II) ion present is in tetrahedral arrangement, zirconyl and vanadyl(II) ions present are in square pyramid feature but uranyl(II) ion present is in octahedral arrangement and all are coordinated by two bidentate alloxan ligand in complexes. The synthesized alloxan ligand coordinate with central metal(II) ion through oxygen in position C2=O and the nitrogen in position N1 developing a 4-membered chelate ring. Synthesized Sn(II), UO2(II), VO(II), and ZrO(II) complexes via bidentate ligand have been accurately described by various spectroscopic techniques like elemental analysis (C, H, N, metal), conductivity measurements, FT-IR, UV-Vis, 1H-NMR, and TGA. The kinetic thermodynamic parameters such as: E*, ΔH*, ΔS* and ΔG* were calculated using Coats and Redfern and Horowitz and Metzger equations.   KEY WORDS: Alloxan, Metal ions, Spectroscopy, Ligand, Coordination, Thermogravimetry   Bull. Chem. Soc. Ethiop. 2022, 36(2), 373-385.    DOI: https://dx.doi.org/10.4314/bcse.v36i2.11                                                          &nbsp

Biomarkers charge-transfer complexes of melamine with quinol and picric acid: Synthesis, spectroscopic, thermal, kinetic and biological studies

AbstractTwo new melamine (MA) charge transfer complexes with quinol and picric acid in aqua media have been synthesized and structurally characterized. The obtained complexes with the general formula [(MA)(acceptor)2] with a 2:1 acceptor:donor molar ratio. Elemental analysis (CHN), electronic spectra, photometric titration, mid infrared spectra, 1H NMR spectra and thermogravimetric analysis (TG) were used to predict the position of the charge transfer interaction between the donating and accepting sites. The MA CT-complexes were antimicrobial assessment against two kinds of bacterial and fungal species

A new simple route for synthesis of cadmium(II), zinc(II), cobalt(II), and manganese(II) carbonates using urea as a cheap precursor and theoretical investigation

ABSTRACT. The MnCO3.H2O, CoCO3.4H2O, ZnCO3, and CdCO3, respectively, were synthesized through a new precise, easy pathway for the reaction of MnI2, CoI2, ZnI2, or CdI2 aqueous solutions with a cheap precursor-urea for 10 h at ~ 70 oC. The IR spectra of reaction products designate the presence of characteristic bands of ionic carbonate, CO32– and absence of the individual bands of urea. The (CO3)2- ion is planar and therefore, it belongs to the D3h symmetry. It is expected to display four modes of vibrations. The stretching vibrations of the type; n(C-O) is observed in the range of (1376-1503) cm-1 while another stretching vibration n(C-O) is observed in the region 1060-1079 cm-1. The out of plane of vibration d(OCO) is observed in the range of (833-866) cm-1 while, the angle deformation bending vibration d(OCO) appear in the range of (708-732) cm-1. The infrared spectra of metal carbonate, show that, this product clearly has an uncoordinated water. The band related to the stretching vibration n(O-H) of uncoordinated H2O is observed as expected in the range of ~ 3000 cm-1. A general mechanism explaining the synthesis of carbonate compounds of cadmium(II), zinc(II), cobalt(II), and manganese(II), are described. Moreover, the DFT outcomes using B3LYP/LanL2DZ (basis set) agree with the experimental results.                 KEY WORDS: Carbonate, CoI2, Infrared spectra, Urea, DFT   Bull. Chem. Soc. Ethiop. 2022, 36(2), 363-372.                                                                DOI: https://dx.doi.org/10.4314/bcse.v36i2.10                                                     &nbsp

Synthesis, spectroscopic characterizations and DFT studies on the metal complexes of azathioprine immunosuppressive drug

ABSTRACT. A complex of the immunosuppressive drug azathioprine with Cr(II), Mn(II), Fe(II), Zn(II), Cu(II), Ni(II), and Co(II) were synthesized and characterized through spectroscopic and thermal studies. The infrared spectra show the coordination of azathioprine via N(9) to the metal, also, the range around 640–650 cm−1 remains unchanged in the complexes, indicating the possibility that the ether group may not be involved in the binding. Thermogravimetric analysis (TG), thermogravimetric derivational analysis (DTG), and differential thermogravimetric analysis (DTA) have been studied in the temperature range from 0 °C to 1000 °C. The study of pyrolysis showed that all complexes decompose in more than one step and that the final decomposition product is metal oxide. The DFT (density functional theory) with B3LYP/6-31G++ level of theory was used to study the optimized geometry, HOMO→LUMO energy gap, and molecular electrostatic potential map of azathioprine before and after deprotonation.                 KEY WORDS: Azathioprine, Spectral study, Thermal study, Decomposition products, DFT Bull. Chem. Soc. Ethiop. 2022, 36(1), 73-84.                                                                   DOI: https://dx.doi.org/10.4314/bcse.v36i1.

Efficient adsorption of Rhodamine B using a composite of Fe3O4@zif-8: Synthesis, characterization, modeling analysis, statistical physics and mechanism of interaction

ABSTRACT. The utilization of a metal organic framework (ZIF-8) modified by Fe3O4 nanoparticles was used to accomplish adsorption of Rhodamine B (RB) from aqueous solutions. SEM, XRD, IR, and BET analyses were all used to characterize the composite (Fe3O4@ZIF-8). The surface area of this adsorbent was 478.4 m2/g. X-Ray diffraction spectroscopy was used to detect surface modification utilizing electron microscopy (SEM) scanning with 48 nm in diameter average particle size according to a statistical physics method. Fe3O4@ZIF-8 appears to have dispersive interactions and pore characteristics, according to quantum chemistry simulations. On the adsorption of RB, the influences of contact time, adsorbent quantity, dye concentration, and temperature were studied. The Langmuir and Freundlich adsorption isotherm models were used to study the adsorption isotherms. Anticipated overall adsorption potential was 647.5 mg/g, with a zero-charge point (pHPZC) of 4.3. The adsorption isotherm was fitted using Langmuir whereas pseudo second order was used to match the kinetics. Energy of adsorption (Ea) is 28.7 kJ/mol, indicating a chemisorption phase. The adsorption process is endothermic and unpredictable, according to thermodynamic experiments. It was also looked into using ethanol as a solvent in the desorption of deposited cationic dye.   KEY WORDS: Fe3O4@ZIF-8, Rhodamine B, Adsorption models, Thermodynamics   Bull. Chem. Soc. Ethiop. 2023, 37(1), 211-229.                                                                DOI: https://dx.doi.org/10.4314/bcse.v37i1.17                                                     &nbsp

Comparative evaluation of methods for estimating retinal ganglion cell loss in retinal sections and wholemounts

To investigate the reliability of different methods of quantifying retinal ganglion cells (RGCs) in rat retinal sections and wholemounts from eyes with either intact optic nerves or those axotomised after optic nerve crush (ONC). Adult rats received a unilateral ONC and after 21 days the numbers of Brn3a+ , bIII-tubulin+ and Islet-1+ RGCs were quantified in either retinal radial sections or wholemounts in which FluoroGold (FG) was injected 48 h before harvesting. Phenotypic antibody markers were used to distinguish RGCs from astrocytes, macrophages/microglia and amacrine cells. In wholemounted retinae, counts of FG+ and Brn3a+ RGCs were of similar magnitude in eyes with intact optic nerves and were similarly reduced after ONC. Larger differences in RGC number were detected between intact and ONC groups when images were taken closer to the optic nerve head. In radial sections, Brn3a did not stain astrocytes, macrophages/microglia or amacrine cells, whereas βIII-tubulin and Islet-1 did localize to amacrine cells as well as RGCs. The numbers of βIII-tubulin+ RGCs was greater than Brn3a+ RGCs, both in retinae from eyes with intact optic nerves and eyes 21 days after ONC. Islet-1 staining also overestimated the number of RGCs compared to Brn3a, but only after ONC. Estimates of RGC loss were similar in Brn3astained radial retinal sections compared to both Brn3a-stained wholemounts and retinal wholemounts in which RGCs were backfilled with FG, with sections having the added advantage of reducing experimental animal usage

Antimicrobial resistance among migrants in Europe: a systematic review and meta-analysis

BACKGROUND: Rates of antimicrobial resistance (AMR) are rising globally and there is concern that increased migration is contributing to the burden of antibiotic resistance in Europe. However, the effect of migration on the burden of AMR in Europe has not yet been comprehensively examined. Therefore, we did a systematic review and meta-analysis to identify and synthesise data for AMR carriage or infection in migrants to Europe to examine differences in patterns of AMR across migrant groups and in different settings. METHODS: For this systematic review and meta-analysis, we searched MEDLINE, Embase, PubMed, and Scopus with no language restrictions from Jan 1, 2000, to Jan 18, 2017, for primary data from observational studies reporting antibacterial resistance in common bacterial pathogens among migrants to 21 European Union-15 and European Economic Area countries. To be eligible for inclusion, studies had to report data on carriage or infection with laboratory-confirmed antibiotic-resistant organisms in migrant populations. We extracted data from eligible studies and assessed quality using piloted, standardised forms. We did not examine drug resistance in tuberculosis and excluded articles solely reporting on this parameter. We also excluded articles in which migrant status was determined by ethnicity, country of birth of participants' parents, or was not defined, and articles in which data were not disaggregated by migrant status. Outcomes were carriage of or infection with antibiotic-resistant organisms. We used random-effects models to calculate the pooled prevalence of each outcome. The study protocol is registered with PROSPERO, number CRD42016043681. FINDINGS: We identified 2274 articles, of which 23 observational studies reporting on antibiotic resistance in 2319 migrants were included. The pooled prevalence of any AMR carriage or AMR infection in migrants was 25·4% (95% CI 19·1-31·8; I2 =98%), including meticillin-resistant Staphylococcus aureus (7·8%, 4·8-10·7; I2 =92%) and antibiotic-resistant Gram-negative bacteria (27·2%, 17·6-36·8; I2 =94%). The pooled prevalence of any AMR carriage or infection was higher in refugees and asylum seekers (33·0%, 18·3-47·6; I2 =98%) than in other migrant groups (6·6%, 1·8-11·3; I2 =92%). The pooled prevalence of antibiotic-resistant organisms was slightly higher in high-migrant community settings (33·1%, 11·1-55·1; I2 =96%) than in migrants in hospitals (24·3%, 16·1-32·6; I2 =98%). We did not find evidence of high rates of transmission of AMR from migrant to host populations. INTERPRETATION: Migrants are exposed to conditions favouring the emergence of drug resistance during transit and in host countries in Europe. Increased antibiotic resistance among refugees and asylum seekers and in high-migrant community settings (such as refugee camps and detention facilities) highlights the need for improved living conditions, access to health care, and initiatives to facilitate detection of and appropriate high-quality treatment for antibiotic-resistant infections during transit and in host countries. Protocols for the prevention and control of infection and for antibiotic surveillance need to be integrated in all aspects of health care, which should be accessible for all migrant groups, and should target determinants of AMR before, during, and after migration. FUNDING: UK National Institute for Health Research Imperial Biomedical Research Centre, Imperial College Healthcare Charity, the Wellcome Trust, and UK National Institute for Health Research Health Protection Research Unit in Healthcare-associated Infections and Antimictobial Resistance at Imperial College London

Global economic burden of unmet surgical need for appendicitis

Background: There is a substantial gap in provision of adequate surgical care in many low-and middle-income countries. This study aimed to identify the economic burden of unmet surgical need for the common condition of appendicitis. Methods: Data on the incidence of appendicitis from 170 countries and two different approaches were used to estimate numbers of patients who do not receive surgery: as a fixed proportion of the total unmet surgical need per country (approach 1); and based on country income status (approach 2). Indirect costs with current levels of access and local quality, and those if quality were at the standards of high-income countries, were estimated. A human capital approach was applied, focusing on the economic burden resulting from premature death and absenteeism. Results: Excess mortality was 4185 per 100 000 cases of appendicitis using approach 1 and 3448 per 100 000 using approach 2. The economic burden of continuing current levels of access and local quality was US $92 492 million using approach 1 and$73 141 million using approach 2. The economic burden of not providing surgical care to the standards of high-income countries was $95 004 million using approach 1 and$75 666 million using approach 2. The largest share of these costs resulted from premature death (97.7 per cent) and lack of access (97.0 per cent) in contrast to lack of quality. Conclusion: For a comparatively non-complex emergency condition such as appendicitis, increasing access to care should be prioritized. Although improving quality of care should not be neglected, increasing provision of care at current standards could reduce societal costs substantially

Effects of hospital facilities on patient outcomes after cancer surgery: an international, prospective, observational study

Background Early death after cancer surgery is higher in low-income and middle-income countries (LMICs) compared with in high-income countries, yet the impact of facility characteristics on early postoperative outcomes is unknown. The aim of this study was to examine the association between hospital infrastructure, resource availability, and processes on early outcomes after cancer surgery worldwide.Methods A multimethods analysis was performed as part of the GlobalSurg 3 study-a multicentre, international, prospective cohort study of patients who had surgery for breast, colorectal, or gastric cancer. The primary outcomes were 30-day mortality and 30-day major complication rates. Potentially beneficial hospital facilities were identified by variable selection to select those associated with 30-day mortality. Adjusted outcomes were determined using generalised estimating equations to account for patient characteristics and country-income group, with population stratification by hospital.Findings Between April 1, 2018, and April 23, 2019, facility-level data were collected for 9685 patients across 238 hospitals in 66 countries (91 hospitals in 20 high-income countries; 57 hospitals in 19 upper-middle-income countries; and 90 hospitals in 27 low-income to lower-middle-income countries). The availability of five hospital facilities was inversely associated with mortality: ultrasound, CT scanner, critical care unit, opioid analgesia, and oncologist. After adjustment for case-mix and country income group, hospitals with three or fewer of these facilities (62 hospitals, 1294 patients) had higher mortality compared with those with four or five (adjusted odds ratio [OR] 3.85 [95% CI 2.58-5.75]; p<0.0001), with excess mortality predominantly explained by a limited capacity to rescue following the development of major complications (63.0% vs 82.7%; OR 0.35 [0.23-0.53]; p<0.0001). Across LMICs, improvements in hospital facilities would prevent one to three deaths for every 100 patients undergoing surgery for cancer.Interpretation Hospitals with higher levels of infrastructure and resources have better outcomes after cancer surgery, independent of country income. Without urgent strengthening of hospital infrastructure and resources, the reductions in cancer-associated mortality associated with improved access will not be realised