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A green, simple and sensitive spectrophotometric method was proposed for the determination of isoxsuprine hydrochloride (ISX), based on the preconcentration with cetyltrimethylammonium bromide (CTAB) modified magnetic iron oxide nanoparticales (MNPs). ISX was coupled with diazotized metoclopramide drug via diazotization-coupling reaction in alkaline medium to form yellow-orange color product which was extracted and measured spectrophotometrically at λmax444 nm. Various parameters affecting the azo-dye removal by adsorption on modified magnetic nanoparticales (Fe3O4@CTAB) such as pH of solution, volume of diazotized reagent, volume of surfactant, amount of adsorbent and type of desorbing solvent were studied. The linear calibration graph were obtained in the concentration range of 0.3-7.0 μg/mL of ISX, the limit of detection and the limit of quantification calculated to be 0.29and 0.99μg/mL, respectively. Accuracy and precision described by relative standard deviation and relative recovery percentages. The results obtained show that the CTAB-coated MNPs could be employed in the extraction of the drug in the azo dye form from different samples. The ISX was extracted successfully in pharmaceutical forms and spiked samples of river water. [ABSTRACT FROM AUTHOR]

The current study was conducted on men suffering from type 2 diabetes in Dhi Qar Governorate, Iraq. The study aimed to assess the levels of some biomarkers in type 2 diabetic patients and their relationship to diabetic nephropathy, including interleukin18 and transforming growth factor beta1, and included in the study (88) blood samples from men only. They were distributed as follows: 60 serum samples from men with T2DM and 28 serum samples from healthy men. The study samples were collected in cooperation with Shatra Hospital, as samples were classified into patients according to the disease severity and the duration of. The results of the current study showed a significant increase in the concentration of IL-18 and TGFb-1 in the samples of patients suffering from T2DM compared with the healthy ones. This study concluded that there was a significant increase in the concentration of IL-18 in patients in the second category compared to the first category with respect to the disease severity, as well as a significant increase in the duration of disease in the first category compared with the second category, and this study concluded the possibility of adopting these indicators as early risk predictors of diabetic nephropathy. [ABSTRACT FROM AUTHOR]

Acidic insulating refractory bricks were prepared by mixing kaolin and grog with polystyrene (PS) beads up to 1.5% and bagasse up to 5% (by weight). This latter is a fibrous waste residue from the sugar cane industry. The bricks were dried and fired at 1250°C in a cycle lasting for 16 hours. The bricks were tested for water absorption, porosity, bulk density, cold crushing strength and thermal conductivity at three different temperatures (400, 600, and 800°C). It was concluded that bricks containing 1% PS and 3% bagasse abided by ASTM C155‐97 for C‐30 type insulating refractories with a bulk density of 1.01 g/cm3, a cold crushing strength of 4.08 MPa, and a thermal conductivity of 0.37 W/K/m at 800°C. [ABSTRACT FROM AUTHOR]

Background. Ankylosing spondylitis (AS) is a chronic, progressive inflammatory rheumatic disease that leads to structural damage, functional impairment, and decrease in the quality of life. Red cell distribution width (RDW) is a part of the complete blood count (CBC) and estimates erythrocyte variability. Objective. To analyse RDW in patients with AS and to evaluate the relationships with acute phase reactants (APRs) and disease activity index. Patients and Methods. A total of 100 patients with AS (78 males and 22 females) were diagnosed according to the modified New York classification criteria for AS and 146 (99 males: 47 females) healthy individuals matched in age and sex as controls enrolled in the study. Demographic data, disease activity scores using Bath Ankylosing Spondylitis Disease Activity Index (BASDAI), medical history, C-reactive protein (CRP), erythrocytes sedimentation rate (ESR), and complete blood count (CBC) were measured. Results. The mean age for patients and controls was 38.0 ± 9.0 and 35.8 ± 9.0 years, respectively (p=0.057). RDW was significantly higher in patients with AS compared with controls (14.133 ± 1.613 versus 12.299 ± 1.031, p < 0.001). There was a direct correlation of RDW with both ESR and CRP (P < 0.001); RDW had r=0.38 for C-reactive protein (CRP) and r=0.413 for ESR. Also BASDAI was directly correlated with RDW (r=0.326 p<0.001). RDW was a valid measure to differentiate between patients with AS and controls (AUC=0,84, p<0.001) and at optimum cut-off value>13% has highest accuracy (78.9%) with very good sensitivity test (81%) and NPV (85.6%) as well as good specificity (77.4%) and PPV (71.1%). Conclusion. RDW was higher in AS patients compared with controls and was directly correlated with ESR, CRP, and BASDAI. RDW was a valid simple measure with good accuracy to differentiate between patients with AS and controls. [ABSTRACT FROM AUTHOR]

Titanium subrogated lanthanum strontium manganite LSMO (La0.5Sr0.5Mn1-xTixO3; Ti ratio = 0.1, 0.2, 0.3, 0.4, 0.5) nanoparticles have been prepared based on an organic acid precursor pathway using glycine-nitrate as a fuel. The effectuation of Ti4+ ion concentration on the crystallo-aspects, microstructure as well as the optical features was scrutinized. Exemplary, orthorhombic perovskite LSMTO with a space group Pbnm were manifested at low annealing temperature 800 °C for period 2h. Further, insertion of Ti4+ ion instead of Mn4+ ion in LSMO commenced to increment the crystallite size from 14 to 24 nm. The FT-IR spectrum demonstrated that band around 600 cm−1 linked to Mn-O become broad imputed to Ti-O stretching modes. The morphology of all samples presented the spherical clusters with enhancing the grain size by incorporation of Ti4+ ion into the LSMO crystal. Band gap energy with boost of Ti4+ ion weight ratio was found to augment from 1.83 to 2.1 eV. Meanwhile, the refractive index was found to slightly minify from 2.78 to 2.66. [ABSTRACT FROM AUTHOR]

Removal nickel from the aquatic environment is a serious environmental problem in view of public health. The present article studies the applicability of activated carbon, obtained from graphite, as a source of adsorbents to remove nickel from the aqueous polluted water. Activated carbon was obtained by steam activation of graphite and then was oxidized by nitric acid followed by modification with Tetraethylenepentamine (TEPA). The applicability of graphite activated carbon (GAC), and modified activated carbon by Tetraethylenepentamine (GACA) to remove nickel ions Ni(II) from aqueous media was studied. The effect of pH, initial concentration, contact time, and the temperature was evaluated during Ni(II) removal operating in a batch process. Experimental results show that the studied activated carbon have a good adsorption capacity for Ni(II) ions and could reduce the concentrations of it in the groundwater. A maximum removal efficient of Ni(II) was observed at 55°C. The experimental data showed an endothermic and spontaneous process, which was fitted to Langmuir isotherm. Based on our results, we can conclude that it is possible to use GAC and GACA for removing Ni(II) effectively from groundwater. [ABSTRACT FROM AUTHOR]

Purpose The purpose of this study to investigate the synthesis of new Cr(III), Fe(III), Ni(II) and Cu(II) Schiff base complexes by a simple technique (microwave technique). The evaluation of the prepared complexes as pigments as corrosion resistant was also explored.Design/methodology/approach The Schiff base complexes were prepared by using microwave method (green chemistry), and then, the physico-chemical requirements according to standards for the synthesised pigments were investigate.Findings The prepared complexes exhibit good physical, mechanical and corrosion properties as pigments in paint formulations.Research limitations/implications The simple technique used for synthesis of metal complex pigments will significantly increase the cost saving for the manufacturing of such pigments category. Also, the used technique is considered a green method (eco-friendly), as there no organic solvent was used.Practical implications The evaluation of the prepared complex pigments as corrosion resistants was also studied.Originality/value It is a simple technique, green synthesis (no solvent used) is involved and high yield is obtained. [ABSTRACT FROM AUTHOR]

Purpose – The purpose of this paper is to investigate the synthesis of calcium-based group of mixed metal oxide (MMO) pigments. The evaluation of these pigments as heat and corrosion resistant was also explored. Design/methodology/approach – Two simple synthesis techniques, namely, co-precipitation and solid-state calcination method, were used to synthesise nanosized MMO pigments. And then the physico-chemical requirements according to standards for the synthesised pigments are investigated. Findings – The prepared MMO pigments were mainly in the single phase double oxide forms. The prepared oxides exhibited good heat (up to 600°C) and corrosion resistance properties (in 5 per cent NaCl for 500 h). Research limitations/implications – This paper investigates the physico-chemical properties of synthesised calcium-based group of MMO pigments. And then evaluate it as heat and corrosion resistant paints. The simple techniques used for synthesis of nanosized MMO pigments will significantly improve the research and development of pigments’ structure and performance. Practical implications – Calcium-based MMO pigments can be used as heat and corrosion resistant pigments. The easy synthesis of the mixed oxide pigments will open the door for further vital special industrial uses and applications. Originality/value – Low cost, simple techniques and using naturally abundant material can be used for mass production of some other low-cost nanosized materials. [ABSTRACT FROM AUTHOR]

Background I-gel is the second generation of supraglottic airway devices with a noninfl atable cuff that has several potential advantages over other supraglottic airway devices. Objective The aim of this study was to compare I-gel with proseal laryngeal mask airway ( PLMA) and endotracheal tube ( ETT) during elective minor surgical procedures using controlled ventilation. Design and setting A prospective, randomized, comparative study. Patients and methods A total of 60 adult female patients ASA I-II scheduled for elective breast lumpectomy surgery under general anesthesia with positive pressure ventilation were divided equally into three groups (20 patients each): group I used I-gel, group II used PLMA, and group III used ETT for airway maintenance. The three devices were compared with regard to the insertion characteristics, the ease of gastric tube insertion, tidal volumes, leak volumes, airway sealing pressures, hemodynamics, gas exchange parameters, and postoperative airway complications. Results The mean insertion time for I-gel (9.8 ± 2.5 s) was signifi cantly shorter than that of PLMA (15.4 ± 3.2 s) and ETT (14.1 ± 2.1 s) (P < 0.001). The I-gel group (19/20) and the ETT group (18/20) showed a signifi cantly easier insertion compared with the PLMA group (13/20) (P < 0.05). There was a signifi cant increase in the mean arterial blood pressure after the insertion of the airway device in the ETT group (110 ± 13 mmHg) compared with the I-gel group (100 ± 10 mmHg) and the PLMA group (102 ± 11 mmHg) (P < 0.05). There was a signifi cantly lower incidence of hoarseness, nausea, regurge, vomiting, and dysphagia in the I-gel and the PLMA groups when compared with the ETT group. Conclusion I-gel is an effective alternative device to PLMA and ETT during minor surgical procedures using controlled ventilation as it produces minimal hemodynamic changes, less airway morbidity, and is rapid and easy to insert. [ABSTRACT FROM AUTHOR]

An easy method in a solvothermal system has been developed to synthesize nanostructured magnetite (Fe3O4)-loaded functionalized carbon spheres (CSs) and cobalt ferrite (CoFe2O4). Surface-tunable CSs loaded with iron oxide (Fe3O4) nanoparticles were prepared using an acetylferrocene Schiff base (OPF), whereas spinel cobalt ferrite (CoFe2O4) was synthesized via metal complexes of a ferrocenyl Schiff base with phenol moiety (Co-OPF). The formed composite powder was investigated using X-ray powder diffraction, Raman spectrometry, Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and vibrating sample magnetometry. It was found that most of the iron oxide nanoparticles were evenly distributed upon the surface of the CSs. Furthermore, the surface of the iron oxide-loaded CSs has large numbers of functional groups. Good saturation magnetization was achieved for the formed magnetic nanoparticles. [ABSTRACT FROM PUBLISHER]

Abstract: Mixed metal oxides have been widely used for various applications such as pigments in coatings. This work presents synthesis of a group of mixed metal oxides (Ca2CuO3, Ca3Co2O6 and NiSb2O6) by employing two simple synthesis techniques namely; co-precipitation and solid-state calcination method. The prepared pigments were characterized using X-ray diffraction, infra-red spectroscopy, and scanning electron microscopy. The obtained XRD results showed that single phase double oxide compounds were the main components in each case. SEM images showed the formation of either platelet or well defined polyhedron crystal structures based on the type of the double oxide and the preparation method. The physical, mechanical, heat and corrosion resistance of dry paint films were also examined. The obtained results revealed that the prepared calcium based pigments showed excellent heat and corrosion resistance and that with copper oxide is the best in performance among others. [Copyright &y& Elsevier]

Abstract: The Raman and infrared spectra of solid methyl-5-amino-4-cyano-3-(methylthio)-1H-pyrazole-1-carbodithioate (MAMPC, C7H8N4S3) were measured in the spectral range of 3700–100cm−1 and 4000–200cm−1 with a resolution of 4 and 0.5cm−1, respectively. Room temperature 13C NMR and 1H NMR spectra from room temperature down to −60°C were also recorded. As a result of internal rotation around C–N and/or C–S bonds, eighteen rotational isomers are suggested for the MAMPC molecule (Cs symmetry). DFT/B3LYP and MP2 calculations were carried out up to 6-311++G(d,p) basis sets to include polarization and diffusion functions. The results favor conformer 1 in the solid (experimentally) and gaseous (theoretically) phases. For conformer 1, the two –CH3 groups are directed towards the nitrogen atoms (pyrazole ring) and Cthe –NH2 group retains sp2 hybridization and C–C quasi linear. To support NMR spectral assignments, chemical shifts (δ) were predicted at the B3LYP/6-311+G(2d,p) level using the method of Gauge-Invariant Atomic Orbital (GIAO) method. Moreover, the solvent effect was included via the Polarizable Continuum Model (PCM). Additionally, both infrared and Raman spectra were predicted using B3LYP/6-31G(d) calculations. The recorded vibrational, 1H and 13C NMR spectral data favors conformer 1 in both the solid phase and in solution. Aided by normal coordinate analysis and potential energy distributions, confident vibrational assignments for observed bands have been proposed. Moreover, the CH3 barriers to internal rotations were investigated. The results are discussed herein are compared with similar molecules whenever appropriate. [Copyright &y& Elsevier]

Abstract: The Raman and infrared spectra of solid 5-amino-4-cyano-3-(methylthio)-1H-pyrazole-1-carbothioamide (AMPC, C6H7N5S2) were measured in the spectral range of 3700–100cm−1 and 4000–200cm−1 with a resolution of 4 and 0.5cm−1, respectively. Aided by normal coordinate analysis and potential energy distributions, a confident vibrational assignment of all fundamentals is proposed herein. As a result of internal rotation around CC32 rotational isomers are suggested for AMPC (Cs symmetry). RHF and DFT/B3LYP quantum mechanical calculations including polarization and diffusion functions up to 6-311++G(d,p) basis sets, predict that after complete relaxation of the 32 possible isomers, four structures lie within 1500cm−1 of the lowest energy conformer. However, vibrational analysis reveals the lowest energy conformer to be the only structure giving all real frequencies. Thus, the only stable conformer of AMPC is shown to have a fully planar skeleton with the NH2 groups trans to one another. The recorded IR and Raman spectral measurements favor the calculated structural parameters which are further supported by spectral simulation. Additional support is given by 1H and 13C NMR spectra recorded with the sample dissolved in DMSO-d6 and by predicted chemical shifts at the B3LYP/6-311+G(2d,p) level obtained using the Gauge-Invariant Atomic Orbitals (GIAO) method with and without inclusion of solvent using the Polarizable Continuum Model (PCM). Finally, CH3, CH3S, and NH2 torsional barriers to internal rotation have been investigated using the optimized structural parameters from the B3LYP method with the 6-31G(d) basis set. The results are discussed herein and compared with similar molecules whenever appropriate. [ABSTRACT FROM AUTHOR]

Abstract: The Raman (3700–100cm−1) and infrared (4000–400cm−1) spectra of solid 2-aminophenol (2AP) have been recorded. The internal rotation of both OH and NH2 moieties produce ten conformers with either C s or C 1 symmetry. However, the calculated energies as well as the imaginary vibrational frequencies reduce rotational isomerism to five isomers. The molecular geometry has been optimized without any constraints using RHF, MP2 and B3LYP levels of theory at 6-31G(d), 6–311+G(d) and 6–31++G(d,p) basis sets. All calculations predict 1 (cis; OH is directed towards NH2) to be the most stable conformation except RHF/6–31++G(d,p) basis set. The 1 (cis) isomer is found to be more stable than 8 (trans; OH is away from the NH2 moiety and the NH bonds are out-of-plane) by 1.7kcal/mol (598cm−1) as obtained from MP2/6-31G(d) calculations. Aided by experimental and theoretical vibrational spectra, cis and trans 2AP are coexist in solution but cis isomer is more likely present in the crystalline state. Aided by MP2 and B3LYP frequency calculations, molecular force fields, simulated vibrational spectra utilizing 6-31G(d) basis set as well as normal coordinate analysis, complete vibrational assignments for HOC6H4NH2 and DOC6H4ND2 have been proposed. Furthermore, we carried out potential surface scan, to determine the barriers to internal rotations of NH2 and OH groups. All results are reported herein and compared with similar molecules when appropriate. [Copyright &y& Elsevier]

Microscopic changes in the surface of nickel-titanium (nitinol) shape memory alloys (SMAs) in micro-wire electro-discharge machining (μ-WEDM) due to the formation of a resolidified layer on the machined surface, called white layer, are one of the main drawbacks in the processing of such alloys. Since these changes significantly affect the shape memory and elastic recovery characteristics of these alloys, reduction of the white layer thickness (WLT) based on the selection of optimum process parameters is essential to raise the quality of the machined parts. In this regard, a finite element model (FEM) has been developed to simulate the effects of μ-WEDM process parameters, including discharge current, pulse on-time, pulse off-time, and servo voltage, on the heat distributing in Ni55.8Ti SMA to predict the WLT. The flushing efficiency of electric discharges and the effect of flow regime of the dielectric fluid on the heat distribution in the workpiece and the formation of the WLT are analyzed. Experimental data are used to verify the accuracy of the FEM. The results show that the developed model can predict the WLT in μ-WEDM process of Ni55.8Ti SMA with an average error of 14%. The effects of discharge parameters on the formation of the WLT are discussed in details based on the results of the FEM. [ABSTRACT FROM AUTHOR]

In this report, gadolinium-substituted lanthanum strontium manganite (LSM) system, La 0.5 Sr 0.5-x Gd x MnO 3 (0.1 ≤ x ≤ 0.4), was synthesized using the citrate precursor processing. The influence of Gd 3+ ions content on the structure, optical, electrochemical and magnetic properties of LSM was studied. Evidently, in all compositions, a single monoclinic perovskite phase was obtained after calcination at 1000 °C for 2 h. All powders exhibited crystallite sizes in the range of 25.6–35.1 nm. The formed LSM nanopowders has great optical reflectance of 20–40% from 200 to 800 nm for all substituted samples by Gd 3+ ions. Furthermore, the LSM possesses good optical absorbance of 0.65 from 200 to 800 nm. The optical band gap energy was decreased from 2.45 to 1.63 eV by increasing the Gd 3+ ions molar ratios from 0.1 to 0.4. Meanwhile, the electrochemical impedance spectroscopy displayed the good results. The ohmic resistance ( R s) and the polarization resistance ( R p) of the electrode were increased by increasing the Gd 3+ ions concentration from 0.1 to 0.4. Otherwise, both the ohmic resistance ( R s) and polarization resistance in the doped samples were higher than the pure LSM sample. Finally, the saturation magnetization was increased by increasing Gd 3+ ions molar ratios. The saturation magnetization was found to be increased from 1.61 A m 2 /kg for pure LSM to 28.61 A m 2 /kg for 0.4 Gd 3+ ion substituted LSM sample. [ABSTRACT FROM AUTHOR]

[Display omitted] • PtCo IMNs were uniformly encaged within the mesopores of Cr-BDC MOFs for selective hydrogenation of 4-nitrophenole. • The PtCo/Cr-BDC catalyst exhibit superior selective hydrogenation performances than that of Pt/Cr-BDC and Co/Cr-BDC catalysts. • The exceptional activity was ascribed to mesoporous structure and synergistic interaction between Co and Pt in PtCo/Cr-BDC catalyst. • The mesoporous PtCo/Cr-BDC catalyst revealed remarkable durability. Engineering of economical and stabilized precious metal based catalysts are crucial in recent ages to achieve the desirable catalytic performance as they tend to destabilize easily. Herein, Cr-BDC MOF was prepared that provides high surface area and pore volumes to evenly distribute, host, and stabilize the Pt and Co intermetallic nanoparticles (IMNs). Among these, the PtCo/Cr-BDC catalyst showed superior selective hydrogenation activity for 4-Nitrophenol (4-NP) to 4-Aminophenol (4-AP) as an exemplary reaction. A number of characterization techniques were carried out to study the influence of the Cr-BDC support and Co metal on the surface and bulk structural properties of active Pt metal species. The Cr-BDC support imparts uniform distributions while the Co metal species influenced the catalytic activity. The maximum conversion (99.3 %) of 4-NP to 4-AP was observed with PtCo/Cr-BDC in 2 min at a reaction rate constant (k) of 1.27 min−1 at room temperature, which is superior than Pt/Cr-BDC (0.64 min−1) and Co/Cr-BDC (0.14 min−1). The superior hydrogenation activity was credited to the addition of electropositive Co species to Pt/Cr-BDC catalyst that synergistically interacts with active Pt species within the pores of Cr-BDC MOFs and making PtCo IMNs system. As a result of this synergistic interaction, new additional interfacial electrophilic and nucleophilic metallic sites are generated within the pores of MOFs, which enormously encourage the selective hydrogenation of lethal 4-NP to valued 4-AP. Besides, the PtCo/Cr-BDC catalysts revealed remarkable durability up to several repeated rounds, validating its real-world applicability. [ABSTRACT FROM AUTHOR]

Ca2CuO3 and Ca3Co2O6 are synthesized by coprecipitation using (NH4)2CO3 from solutions of CaCO3 and CuCO3 or CoCO3 followed by firing of the obtained precipitates at 900 °C. [ABSTRACT FROM AUTHOR]

High-grade calcium aluminate cement (CAC) has been successfully synthesized from municipal alumina waste and limestone under mild reaction conditions. Mineralogical composition and microstructure of the sintered mixes were investigated using X-ray diffraction and FESEM; valuable cementing phases such as CA, CA2, and C12A7 were observed in addition to the C3A phase that was detected in the mixes with high CaCO3 content. Mix CA60 containing 60 wt% alumina waste has achieved the best sinterability (less than 1 vol% porosity) and the highest densification (~ 2.65 g/cm3 bulk density) at 1450 °C. Densification, cold-crushing strength (CCS), and microstructure of the hydrated cement samples (From Mix CA60) were investigated. The cast cement specimens revealed better density and CCS characteristics (63.1 and 74 MPa at 7 and 28 days, respectively) in comparison with the commercial cement. Conventional castables (5 × 5 × 5 cm3) were prepared from mixtures composed of 15 wt% cement and 85 wt% aggregates (40% Al2O3), where CA60 and commercial cement were used to compare the effect of the manufactured CA60 cement with the commercial one. The castables prepared with CA60 cement have shown a higher strength at 110 °C with 4.5 MPa when compared to the commercial CAC at the same temperature (1.8 MPa). Accordingly, this study contributes not only to preserving the environment from the accumulation of industrial wastes but also to valorizing and adding value to these wastes. [ABSTRACT FROM AUTHOR]

The nanosized mixed metal oxides (Ca 3 Co 2 O 6 , CaMnO 3 and Ca 2 CuO 3 ) have been synthesized and their electrochemical performance as supercapacitor electrodes have been evaluated. All of them show good pseudocapacitance in KOH electrolyte with specific capacitance of 563, 384 and 275 F g −1 for Ca 3 Co 2 O 6 , CaMnO 3 and Ca 2 CuO 3 , respectively. The charge kinetics of Ca 3 Co 2 O 6 is further evaluated by electrochemical impedance spectroscopy and the results show the low resistivity of Ca 3 Co 2 O 6 and its charge kinetic shows little variation after long continuous cycling. The present study signifies the successful application of nanosized mixed metal oxides as supercapacitor electrode. [ABSTRACT FROM AUTHOR]

Objectives: Although, pre-operative inspiratory muscle training has been investigated and reported to be an effective strategy to reduce postoperative pulmonary complications, the efficacy of postoperative inspiratory muscle training as well as the proper load, frequency, and duration necessary to reduce the postoperative pulmonary complications has not been fully investigated. This study was designed to investigate the effect of postoperative high-load long-duration inspiratory muscle training on pulmonary function, inspiratory muscle strength, and functional capacity after mitral valve replacement surgeries. Design: Prospective randomized controlled trial. Methods: A total of one hundred patients (mean age 38.3±3.29years) underwent mitral valve replacement surgery were randomized into experimental (n = 50) and control (n = 50) groups. The control group received conventional physiotherapy care, while experimental group received conventional care in addition to inspiratory muscle training, with 40% of the baseline maximal inspiratory pressure targeting a load of 80% by the end of the 8 weeks intervention protocol. Inspiratory muscle training started on the patient's first day in the inpatient ward. Lung functions, inspiratory muscle strength, and functional capacity were evaluated using a computer-based spirometry system, maximal inspiratory pressure measurement and 6MWT respectively at 5 time points and a follow-up assessment was performed 6 months after surgery. Repeated measure ANOVA and post-hoc analyses were used (p <0.05). Results: Group-time interactions were detected for all the studied variables (p<0.001). Between-group analysis revealed statistically significant postoperative improvements in all studied variables in the experimental group compared to the control group (p <0.001) with large effect size of η2 ˃0.14. Within-group analysis indicated substantial improvements in lung function, inspiratory pressure and functional capacity in the experimental group (p <0.05) over time, and these improvements were maintained at follow-up. Conclusion: High intensity, long-duration postoperative inspiratory muscle training is highly effective in improving lung function, inspiratory muscle strength, and functional capacity after mitral valve replacement surgeries. [ABSTRACT FROM AUTHOR]

A new alternative approach with crucial mass yield and high reaction rates is proposed for the synthesis of ferrocenyl Schiff bases using an ultrasonication-solvothermal method. Equimolar condensation of ferrocenecarboxaldehyde and 2-aminophenol interact with each other, giving 1-(1-[2-hydroxyphenyl-2-imino]methyl)-ferrocene (FcOH). Furthermore, this ligand forms 1:1 complexes with cobalt(II), nickel(II), copper(II), and palladium(II) ions. From the different spectral data, it is found that metal ions coordinate with ligands through the azomethine group and the deprotonated oxygen of the phenol groups. Moreover, FcOH and their complexes were characterized by elemental analysis, Fourier transform infrared, 1H nuclear magnetic resonance, and UV-visible spectrophotometry. The spectral data of FcOH and its metal complexes were discussed in connection with the structural changes due to complexation. Meanwhile, the information about geometric structures can be concluded from the electronic spectra and the magnetic moments. Plainly, electron spin resonance spectra of the Cu(II) complex revealed d x2− y2 as a ground state, suggesting a square planar geometry around the Cu(II) center. The direct optical band gap energy Eg values of cobalt, nickel, copper, and palladium complexes of FcOH are found to be 3.7, 3.9, 4.6, and 3.65 eV, respectively. 1-(1-[2-Hydroxyphenyl-2-imino]methyl)-ferrocene and its metal complexes were screened for antibacterial activity. The results depict that the metal complexes were found to be more strongly antibacterial than the guardian Schiff base ligand (FcOH) against one or more bacterial species. The minimum inhibitory concentrations of antimicrobial properties of the purified compound were determined using the broth microdilution method. [ABSTRACT FROM AUTHOR]

Abstract: Encapsulation of [Fe(CN)6]4− and [Fe(CN)6]3− complexes in the intracrystalline pores of ZSM-5 zeolite, FeIIL/Z and FeIIIL/Z respectively, by the zeolite synthesis method was reported. The modified zeolites were characterized by powder XRD, FT-IR and UV–vis spectroscopy. The nitrogen adsorption isotherms allow for the evaluation of pore structure of the complex-modified zeolites, whereas the thermal analysis (TGA/DTA) measurements provide insight into the decomposition products of the immobilized complexes. The modified zeolites exhibited smaller pore volumes and surface areas as compared with those of unpromoted ZSM-5, suggesting the inclusion of iron cyanides inside the interconnecting channels of ZSM-5. While the ferricyanide complex enhanced the formation of highly crystalline zeolite, the ferrocyanide one resulted in a lesser effect. The electronic spectra of the colloidal species developed when FeIIIL/Z brought in contact with an aqueous solution of [Fe(CN)6]3− exhibit absorptions attributed to CN− → iron charge-transfer. New bands at 294 and 319 nm due to d–d transitions of FeIII tetrahedral monomeric moieties were emitted concurrently under successive adsorption of over FeIIIL/Z, along with a broad band at 555 nm assigned to polymeric [FeII–C–N–FeIII] of Prussian blue (PB). The FT-IR spectra of FeIII/IIL/Z devoted to the adsorption of an aqueous solution of [Fe(CN)6]3− showed a band at 2092 cm−1 assigned to the C–N stretch in the FeII–CN–FeIII linkages. The vibrations attributable to Fe–O–Si bonding along with hydrocarbon and nitroprusside appeared only in the spectrum of FeIIIL/Z, thus was found to be strong evidence for the mutual interaction between [Fe(CN)6]3− and the latter sample. [Copyright &y& Elsevier]

In this report, lanthanum strontium manganite at different Sr2+ ion concentrations, as well as Gd3+ or Sm3+ ion substituted La0.5−YMYSr0.5MnO3 (M = Gd and Sm, y = 0.2), have been purposefully tailored using a sol gel auto-combustion approach. XRD profiles confirmed the formation of a monoclinic perovskite phase. FE-SEM analysis displayed a spherical-like structure of the La0.8Sr0.2MnO3 and La0.3Gd0.2Sr0.2MnO3 samples. The particle size of the LSM samples was found to decrease with increased Sr2+ ion concentration. For the first time, different LSM concentrations were inspected for their cytotoxic activity against CACO-2 (intestinal carcinoma cells) and HepG-2 (human hepatocellular carcinoma cells). The cell viability for CACO-2 and HepG-2 was assayed and seen to decrease depending on the Sr2+ ion concentration. Half maximal inhibitory concentration IC50 of CACO-2 cell and HepG-2 cell inhibition was connected with Sr2+ ion ratio. Low IC50 was noticable at low Sr2+ ion content. Such results were correlated to the particle size and the morphology. Indeed, the IC50 of CACO-2 cell inhibition by LSM at a strontium content of 0.2 was 5.63 ± 0.42 µg/mL, and the value increased with increased Sr2+ ion concentration by up to 0.8 to be = 25 ± 2.7 µg/mL. Meanwhile, the IC50 of HepG-2 cell inhibition by LSM at a strontium content of 0.2 was 6.73 ± 0.4 µg/mL, and the value increased with increased Sr2+ ion concentration by up to 0.8 to be 31± 3.1 µg/mL. All LSM samples at different conditions were tested as antimicrobial agents towards fungi, Gram positive bacteria, and Gram negative bacteria. For instance, all LSM samples were found to be active towards Gram negative bacteria Escherichia coli, whereas some samples have presumed antimicrobial effect towards Gram negative bacteria Proteus vulgaris. Such results confirmed that LSM samples possessed cytotoxicity against CACO-2 and HepG-2 cells, and they could be considered to play a substantial role in pharmaceutical and therapeutic applications. [ABSTRACT FROM AUTHOR]

Abstract: The Raman (3700–100cm−1) and infrared (4000–400cm−1) spectra of liquid 2-aminothiophenol (2ATP) have been recorded and complemented with quantum mechanical calculations. Ten rotational isomers (C s and/or C 1 symmetry) have been considered due to the rotation of NH2 moiety around C–N bond, while the in-plane SH group is directed towards and/or away from NH2, respectively. Initial computational results are in favor of two conformers where the SH group is directed towards the NH2 moiety with C 1 symmetry (7; gauche-1, 8; trans). An additional gauche-2 isomer (11) was revealed; with NH2 moiety perpendicular to the benzene ring and the out-of-plane SH group is directed towards NH2 while the lone pairs of electrons on nitrogen and sulfur atoms reside in opposite directions. From MP2/6-31G(d) calculations, the gauche-2 (11) is predicted to be more stable than trans (8) and gauche-1 (7) by 758 (2.17kcal/mol) and 833cm−1 (2.38kcal/mol), respectively. Aided by theoretical and experimental outcomes, gauche-2 (11) conformer appears to dominate the liquid phase with minor spectroscopic features relating to gauche-1 (7) and/or trans (8) conformers. Aided by normal coordinate analysis, force constants and frequency calculations, a complete vibrational assignment has proposed for 2ATP (HSC6H4NH2) and its deuterated analogue (DSC6H4ND2). The structural parameters were optimized without any constrains with the addition of polarization and diffusion functions at 6-311+G(d) and 6-31++G(d,p) basis sets using RHF, MP2 and B3LYP, all in favor of gauche-2 (11) conformer. Additionally, the SH and NH2 barriers to internal rotations have been considered for 2-aminothiophenol and compared with 2-aminophenol (2AP). [Copyright &y& Elsevier]