X-ray Investigations Research Articles

Observation of Structural Diversity Based on the Cationic Influence in a Series of Zn/Cd Pyridine Carboxylate Coordination Compounds

In this study, we used a 6-methyl-2,3-pyridine dicarboxylate ligand to develop the frameworks. Two novel compounds, [Zn2(L)2(H2O)4] (1) and [Cd(L)(H2O)] (2) (where L = 6-methyl-pyridine-2,3-dicarboxylate) were produced. The compounds were characterized by elemental analysis, powder X-ray diffraction, Fourier-transform infrared spectroscopy and single crystal X-ray crystallography. We successfully tuned the framework dimensionality by varying the size of the metal ions from small Zn to large Cd ions. Single crystal X-ray investigations of compound 1 show a good dimeric motif, while compound 2 shows a 2D network. In compound 1, the dimeric units are further bonded by strong hydrogen bonds and create a 3D network whereas compound 2 produces a 2D layer that in turn connects via short contacts to form a 3D network in the crystallographic space.

Single and multi-pulse based X-ray photon correlation spectroscopy.

The ability of pulsed nature of synchrotron radiation opens up the possibility of studying microsecond dynamics in complex materials via speckle-based techniques. Here, we present the study of measuring the dynamics of a colloidal system by combining single and multiple X-ray pulses of a storage ring. In addition, we apply speckle correlation techniques at various pulse patterns to collect correlation functions from nanoseconds to milliseconds. The obtained sample dynamics from all correlation techniques at different pulse patterns are in very good agreement with the expected dynamics of Brownian motions of silica nanoparticles in water. Our study will pave the way for future pulsed X-ray investigations at various synchrotron X-ray sources using individual X-ray pulse patterns.

Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces.

Three cobalt complexes, namely [CoIII(HL1)2(N3)2]ClO4 (1), [CoIII(L2)(HL2)(N3)]ClO4·1.5H2O (2), and [CoIII(L3)(HL3)(NCS)]2 [CoIICl2(NCS)2] (3), where HL1 = 2-(3-(dimethylamino)propyliminomethyl)-6-methoxyphenol, HL2 = 2-(2-(dimethylamino)ethyliminomethyl)-4,6-dichlorophenol, and HL3 = 2-(2-(dimethylamino)ethyliminomethyl)-6-methoxyphenol, as potential tridentate N2O-donor Schiff base ligands, were synthesized and characterized using elemental analysis, IR and UV-vis spectroscopy, and single-crystal X-ray diffraction studies. All three were found to be monomeric ionic complexes. Complex 1 crystallizes in the orthorhombic space group Pbcn, whereas both complexes 2 and 3 crystallize in triclinic space groups, P1̄. Further, 1 and 2 are cationic complexes of octahedral cobalt(iii) with perchlorate anions, whereas complex 3 contains a cationic part of octahedral cobalt(iii) and an anionic part of tetrahedral cobalt(ii). Hydrogen-bonding interactions involving aromatic and aliphatic CH bonds as H-bond donors and the pseudo-halide co-ligands as H-bond acceptors were established, which are important aspects governing the X-ray packing. These interactions were analyzed theoretically using the quantum theory of atoms in molecules (QTAIM) and non-covalent interaction plot (NCI plot) analyses. Moreover, energy decomposition analysis (EDA) was performed to analyze the stabilization of the complexes in terms of the electrostatic, dispersion, and correlation forces.

Comparative analysis of cartridge-based nucleic acid amplification test (CBNAAT) with conventional methods in the diagnosis of pediatric tuberculosis at a tertiary care center

BackgroundTuberculosis is an important cause of morbidity and mortality among children. Early diagnosis and treatment in children are challenging, more so in resource-limited, tuberculosis-endemic countries. In 2017, the WHO endorsed the use of CBNAAT for tuberculosis diagnosis. We have undertaken this study to evaluate the diagnostic value of CBNAAT in pediatric tuberculosis in comparison to other methods like microscopic detection of acid-fast bacilli and detection of mycobacteria-by-mycobacteria growth indicator tube (MGIT). Material and methodsThis hospital-based, cross-sectional, observational prospective study was conducted in the department of pediatrics, at a tertiary care center. A detailed history, general physical examination, and relevant physical examination were performed systematically and the findings were noted in the proforma. All necessary basic investigations like CBC, ESR, X-Ray, etc., and advanced investigations like MRI, CT, and FNAC were done as per the requirement of the subjects and the results were mentioned in the study proforma. Sensitivity, specificity, positive and negative predictive value, and diagnostic accuracy were calculated for various methods. A comparison between the two methods was done using the Mc Nemar test. p-value ≤0.05 was taken as statistically significant. All statistical analyses were done using Epi info version 7.2.1.0 statistical software. ResultsAmong 102 children suspected to be suffering from tuberculosis, the maximum number of TB cases were found in the age group of 11–16 years (43.2%), there were 58.2% of females, 58.8% belonged to the rural population, fever (78.4%) was the most common presenting symptom and 35.3% had a history of contact. In the present study, CBNAAT and ZN staining had equal sensitivity (60.8%) and specificity (100%) while the yield for MGIT culture was quite low (sensitivity 37.3%, specificity 100%). ConclusionsCBNAAT as a test was found to be useful, especially for early diagnosis and detection of rifampicin resistance in pediatric tuberculosis against MGIT culture. Since MGIT results become available only after 42 days and have a relatively lower yield so they can be utilized only in a selected clinical situation or in patients with high suspicion of tuberculosis where another test is not able to detect the organisms.

Predictors of prolonged hospitalization among children aged 2-59 months with severe community-acquired pneumonia in public hospitals of Benishangul-Gumuz Region, Ethiopia: a multicenter retrospective follow-up study.

Pneumonia is a leading cause of morbidity and mortality among children aged under 5 years in Ethiopia. Prolonged hospitalization of severe community-acquired pneumonia is a significant problem in resource-limited countries. This study seeks to provide insights that can help improve the management and outcomes of severe community-acquired pneumonia, which is particularly important in the context of the Benishangul-Gumuz Region, Ethiopia, where access to quality healthcare services is limited, and childhood pneumonia is a significant health challenge. The aim of the study was to determine the predictors of prolonged hospitalization among children aged 2-59 months admitted with severe community-acquired pneumonia between 1 January 2016 and 30 December 2020 in the public hospitals in Benishangul-Gumuz Region, Ethiopia. A retrospective follow-up study design was conducted among randomly selected samples of 526 children. Data were entered into EPI data version 4.6 and analyzed using STATA version 14.0. The Cox proportional hazard regression model was fitted to identify the independent predictors of prolonged hospitalization, and variables with a p-value <0.05 in the multivariable model were considered statistically significant. The median hospital stay was 5 days (interquartile range 2-8 = 6). Approximately 149 (28.93%) children had prolonged hospitalization (>5 days) and the recovery rate from severe community-acquired pneumonia was 19.69 per 100 person-day observations. The significant predictors of prolonged hospitalization were as follows: having facility referral sources [0.79, 95% confidence interval (CI), 0.63-0.98]; a nutritional status of wasting (0.64, 95% CI, 0.44-0.94); anemia (0.65, 95% CI, 0.46-0.90); no identified hemoglobin level (0.53, 95% CI, 0.41-0.70); no identified blood film (0.65, 95% CI, 0.53-0.80); no chest x-ray investigation (0.81, 95% CI, 0.65-0.99); pulmonary effusion (0.31, 95% CI, 0.15-0.66); and late presenters to hospital (0.67, 95% CI, 0.53-0.84) at admission. The median length of stay in hospital was delayed compared to other studies. Wasting, late presenting to hospital, pulmonary effusion, anemia, absence of investigations of hemoglobin level, chest x-ray, and blood film at admission time were factors that significantly prolonged the hospitalization time. Hence, attention should be given to the prevention of malnutrition and anemia in children, increasing early health-seeking behavior in the community. Attention should be given to complications such as pleural effusion, and investigations, such as chest x-ray, hemoglobin levels, and blood films, should be performed when the child is admitted.

PHENOMENON OF DEMIKHOV. At N.V. Sklifosovsky Institute (1960–1986). V.P. Demikhov and his experiments in the field of organ transplantation in 1969–1970

With the involvement of archival documents, the results of research performed by V.P. Demikhov and the employees of the Organ Transplantation Laboratory at the N.V. Sklifosovsky Research Institute for Emergency Medicine (further – Institute) in 1969–1970 have been analyzed. At that time, under V.P. Demikhov's guidance and his personal participation, the Laboratory carried out the following developments: (1) an anatomical method of heart and lung transplantation in experiment and on human cadavers; (2) a method of revitalizing the heart and the whole human body using direct cardiac massage and a portable mechanical heart connected to auricles; (3) the method of liver transplantation in experiment and its anatomical rationale for clinical implementation in liver failure; (4) a method for assessing the function of a transplanted heart using electrocardiography; (5) the method of transplantation of the small intestine fragments; (6) a method of transplanting the pancreas, isolated or in combination with the duodenum and liver, to the renal vessels; (7) a method of replanting the cardiopulmonary complex on peripheral vessels for the treatment of terminal cardiopulmonary insufficiency, and a number of others. For experimental studies, the methods of an anatomical X-ray investigation of the main vessels and X-ray vasography of a transplanted heart were used. For heart transplantation, V.P. Demikhov's anatomical technique and biatrial Lower-Shumway technique were applied. To conduct a series of studies, V.P. Demikhov managed to attract large third-party organizations: the Krasnoyarsk Research Institute of Physics of the Siberian Branch of the USSR Academy of Sciences (creation of a mechanical heart), the Pyatigorsk Machine-Building Plant (creation of a portable thermostat to preserve revitalized organs), Central Research Institute of Tuberculosis of the Ministry of Health of the USSR (development of a method for implanting a cardiopulmonary complex to peripheral vessels), Research Institute of Poliomyelitis (operations on monkeys). We emphasize that all methods developed were recommended by the author for their implementation in clinic. A list of operations performed in the organ transplant laboratory in 1969–1970 is given. Most of the operations performed were transplantations (implanting) of the cardiopulmonary complex, isolated heart, and cadaveric heart revitalizations. It was noted that, in addition to the Research Topics included in the Working Plan of the Institute, V.P. Demikhov developed many individual, search topics, including transplantation of halves of the body, head, liver, uterus, kidney, and sternum. All of them, after their completion, were planned for implementation in the clinic.

Satisfaction of Health Care Workers from the Electronic Health Recording System in Najran General Hospital, Southern Saudi Arabia

Background: An EMR is a medical record in a digital format. One of the important trends is the move towards a universal electronic patient record. Saudi Arabia has prioritized the development of e-health as well as the transition from paper-based health records to electronic health records. Study Objectives: to assess the satisfaction, and diffeculties influencing the implementation of electronic medical recording system among healthcare workers in Najran General Hospital, Southern Saudi Arabia. Methods: A descriptive cross sectional study design was adopted. A predesigned questionnaire was submitted through the social media platforms, comprising (WhatsApp, Facebook, and Twitter) to all healthcare workers in the hospital (Doctors, Nurses, and the employee who deal with hospital recording system). Results: The majority of the participants found the performance of some tasks easier when utilizing EMR. Most (73.6%) reported that it is easier to seek out specific information from patient electric records, 71.9% reported that it is easier to review the patients problems, 76.2% stated that it is easier to obtain the results from laboratory analyses, 69.7% reported that it is easier to obtain the results from X-Ray, Ultrasound or CT investigations, 71.4% stated that it is easier to review currently received medications, 64.5% stated that it is easier to find patients with certain characteristics, 68.8% stated that it is easier to order x-ray, ultrasound, or CT investigations and 65.4% reported that it is easier to write prescriptions. Conclusion: Most of the pparticipants agreed to be satisfied with the system’s technical support and service and ease of use. The majority of the participants found the performance of some tasks easier when utilizing EMR and expressed EMR systems’ positive impact on quality of care.

Anticancer and antimicrobial activity of new copper (II) complexes

In this study, three new organic ligands N′-(benzylidene)-6-chloropyrazine-2-carbohydrazonamide (L1), 6-chloro-N′-(4-nitrobenzylidene)picolinohydrazonamide(L2), and N′-(benzylidene)-4-chloropicolinohydrazonamide (L3) and three copper coordination compounds (Cu(L1)Cl2, Cu(L2)Cl2 and Cu(L3)Cl2) based on them were synthesized. All obtained compounds were characterized using appropriate analytical techniques: elemental analysis (EA), thermogravimetric analysis (TG–DTG), Fourier transform infrared spectroscopy (FTIR) and flame-atomic absorption spectrometry (F-AAS). These methods of physicochemical analyses helped to assume that the complexation in three cases proceeds in a bidentate manner. The X-ray investigation confirmed the synthesis pathway and molecular structures for L1 and L3 ligands. The antimicrobial activity of the obtained compounds was then comprehensively investigated, where Cu(L3)Cl2 showed the strongest antibacterial properties against all tested bacteria (Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli). LN229 human glioma cells and BJ human normal fibroblasts cells were treated with tested compounds and their cytotoxicity was evaluated with MTT test. The effect of complexing on antitumor activity has been investigated. The ligand L1 and its complex showed similar activity against normal cells while complexation increases toxicity against cancer cells in concentrations of 50 and 100 μM. For the one pair of ligand/complex compounds the apoptosis detection, cell cycle analysis and gene expression analysis (qRT-PCR) were performed. Cu(L1)Cl2 showed the stronger toxic effect in comparison with L1 due to the population of early apoptotic cells which revealed metabolic activity in MTT assay.

Unusual ferrimagnetism in CaFe2O4

Incomplete cancellation of collinear antiparallel spins gives rise to ferrimagnetism. Even if the oppositely polarized spins are owing to the equal number of a single magnetic element having the same valence state, in principle, a ferrimagnetic state can still arise from the crystallographic inequivalence of the host ions. However, experimental identification of such a state as ``ferrimagnetic'' is not straightforward because of the often tiny magnitude expected for $M$ and the requirement for a sophisticated technique to differentiate similar magnetic sites. We report a synchrotron-based resonant x-ray investigation at the Fe ${L}_{2,3}$ edges on an epitaxial film of $\mathrm{Ca}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$, which exhibits two magnetic phases with similar energies. We find that while one phase of $\mathrm{Ca}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$ is antiferromagnetic, the other one is ferrimagnetic with an antiparallel arrangement of an equal number of spins between two distinct crystallographic sites with very similar local coordination environments. Our results further indicate two distinct origins of an overall minute $M$; one is intrinsic, from distinct ${\mathrm{Fe}}^{3+}$ sites, and the other one is extrinsic, arising from defective ${\mathrm{Fe}}^{2+}$ likely forming weakly coupled ferrimagnetic clusters. These two origins are uncorrelated and have very different coercive fields. Hence, this work provides a direct experimental demonstration of ferrimagnetism solely due to crystallographic inequivalence of the ${\mathrm{Fe}}^{3+}$ as the origin of the weak $M$ of $\mathrm{Ca}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$.

Clinical and Etiological Profile of an Exudative Pleural Effusion in a Tertiary Care Center

Background: Pleural effusion is common clinical entity in day-to-day clinical practice. There are various etiologies for pleural effusion. Among those tubercular pleural effusion, parapneumonic effusion, malignant effusion, and congestive heart failure were the most common causes of pleural effusion. Here, we have done a retrospective study to see the etiology of pleural effusion in our tertiary care center. Patients and Methods: This retrospective study conducted in a tertiary care center over 1 year period. A total of 63 patients were included in this study after verifying in patient records of all patients who were admitted with exudative pleural effusion. The demographic data collected and complete history was obtained. Investigations such as complete hemogram, random blood sugar; renal function tests, serum proteins, chest x-ray, and pleural fluid analysis and investigations such as ultrasonogram of the chest and abdomen, echocardiogram, computed tomography scan of chest, fine-needle aspiration cytology, and pleural biopsy reports (if done) were collected. Results: Among the study participants, 40 were male and 23 were female patients with male-to-female ratio of 1.7:1. Mean age of the study population was 48.8 ± 18.7 years. The most common presenting symptom was dyspnea (84%) followed by cough (80%), fever (65%), and chest pain (43%). The most frequent cause of pleural effusion was tuberculosis in 38% of patients, followed by parapneumonic effusion (28.5%) and malignant pleural effusion (22.2%). Three patients had chylothorax, two patients had pancreatic pleural effusion and the diagnosis was unknown in two patients. Mean ± standard deviation (SD) adenosine deaminase (ADA) value of the study population was 45.3 ± 28.1. Mean ± SD of ADA values in tuberculous, parapneumonic, and malignant pleural effusion was 54.5 ± 16.8, 65.2 ± 30.7, and 18.2 ± 11.0, respectively. Conclusions: Tuberculosis is one of the common causes of exudative effusions along with parapneumonic effusions and malignancy. Pleural fluid ADA levels are highly sensitive with good specificity for the diagnosis of etiology of tubercular effusions. However in view of high levels of ADA in pleural fluid in parapneumonic effusions also, other measures such as clinical evaluation, lymphocyte to neutrophil ratio, and glucose levels are necessary to separate both these entities.

The necessity of radiographic investigation before dental extraction from a student’s perspective

Objectives: The objectives of this study were to determine students’ points of view regarding the necessity of dental radiography for examination. Material and Methods: A Google form questionnaire formulated by A. J. and F. A. was circulated among dental students, through dental students’ channels on Telegram, Instagram, and Facebook for 26 days (from December 10, 2021, to January 4, 2022). The questionnaire contains six questions on what is thought to be relevant to the study’s aim. The questions were based on 16 years of educational experience in clinical training in the oral surgery clinic. Students from Baghdad, Basra, Anbar, and Babylon provinces participated in this study. Contributions were from governmental and private dental schools. The questionnaire constituted six items investigating aspects of radiographic investigations concerning dental extraction, as viewed by dental students. Results: Two hundred and fifty-four students and new graduates answered the questionnaire. The overwhelming majority (67.3%) of participants stated that a radiograph is needed for all teeth before dental extraction. Seventy-five out of 180 participants think that an X-ray is required to evaluate the relationship with vital structure. Out of 254, 163 participants preferred a periapical radiograph before dental extraction followed by OPG. The change in the tendency toward X-ray type during the academic year has been statistically confirmed (P = 0.002). Conclusion: Students and new graduates seem to favor taking X-ray before dental extraction only if needed. It seems to suggest that with the progress of the study, participants are more inclined to choose problem-based X-ray examinations. The screening purpose of X-ray investigation seems to be overlooked with the progress of study and practice.

(Digital Presentation) Effect of Compression Pressure on Water Removal and Power Generation Performance of PEFC with Modified Electrode/Channel Structure

Water flooding in cathode electrodes of polymer electrolyte fuel cells (PEFCs) is a critical issue that must be solved for achieving high efficiency and high power density operations. To alleviate this problem, it is necessary to design the optimum electrode/channel structure for actively removing liquid water from the porous media to the flow channel. In the previous studies, Okuhata et al. [1] revealed that the introduction of penetration holes to gas diffusion electrodes (GDEs) effectively promotes the water discharge and improves the limiting current density. Nishida et al. [2] investigated the effect of channel hydrophilization on the water behavior in the cathode of an operating cell using the cross-sectional visualization technique. It was found that the hydrophilization of cathode channels encourages the water suction from the gas diffusion layer (GDL) to the channel and enhances the oxygen diffusibility to the catalyst layer (CL). Our research group has proposed a novel hybrid electrode/channel structure combining the electrode perforation and channel hydrophilization and has investigated its effect on the improvements of water drainage and cell performance. In this study, we directly visualized the liquid water distribution in the cathode GDL of a customized PEFC with the hybrid electrode/channel structure using X-ray imaging and evaluated the transient response of cell voltage under the constant-current operations. Furthermore, the influence of compression pressure on the water behavior in the perforated GDL and the performance characteristics of the customized cell was also examined.For the X-ray investigation, we fabricated a specialized miniature fuel cell with the effective electrode area of 2.88 cm2. The membrane electrode assembly (MEA) was sandwiched between two carbon separators with a single-serpentine flow field (number of channels: 7, channel width: 1.0 mm, depth: 1.0 mm, total length: 88.5 mm). Fig. 1 shows a schematic cross-sectional view on the cathode side of the experimental cell. Since the cathode GDL is irradiated with X-ray beam in the in-plane direction, the through-plane distributions of water can be observed in the GDL under the 4th channel and under the land between the 3rd and 4th channel. To promote the water discharge from the fine porous media, a penetration groove (width: 300 μm, length: 11 mm) was installed into the GDL, MPL and CL and positioned along the right sidewall of the 4th channel. The channel walls on the cathode side were coated with the silica-based hydrophilic solvent. The contact angle of water on the hydrophilized channel is 9.8o. In the hybrid electrode/channel structure, liquid water accumulated in the CL and MPL is firstly discharged into the large groove in the in-plane direction. Subsequently, water droplets gathered in the groove are grown up and attached to the hydrophilized channel walls. The droplets are spread out on the hydrophilic sidewalls and the liquid films are moved upward. Fig. 2 presents the distributions of water saturation in the perforated GDL of the customized cell assembled under two different compression pressures of 0.5 and 1.0 MPa. The current density was increased stepwise from 0.14 to 1.02 A/cm2 for 8 min under the room temperature and non-humidification condition. All images were captured at t=8 min after starting the operation. Dry hydrogen (stoichiometry: 1.5@2.0A/cm2) and oxygen (stoichiometry: 3.0@2.0A/cm2) were supplied to the anode and cathode in the counter-flow arrangement. It was found that the introduction of the hybrid structure effectively decreases the water saturation around the groove due to the in-plane water discharge. The reduction of saturation under the land is much less than under the channel because the strong mechanical compression crushes the pore structure under the land regions and suppresses the water transport. In addition, the low-saturation region of 28% or less around the groove is enlarged with a decrease in compression pressure. The low compression pressure maintains the relatively large porosities in diffusion media and facilitates the water removal.

Metal-Metal Oxide Catalytic Interface Formation and Structural Evolution: A Discovery of Strong Metal-Support Bonding, Ordered Intermetallics, and Single Atoms.

In-depth investigation of metal-metal oxide interactions and their corresponding evolution is of paramount importance to heterogeneous catalysis as it allows the understanding and maneuvering of the structure of catalytic motifs. Herein, using a series of core/shell metal/iron oxide (M/FeOx, M = Pd, Pt, Au) nanoparticles and through a combination of in situ and ex situ electron and X-ray investigations, we revealed anomalous and dissimilar M-FeOx interactions among different systems under reducing conditions. Pd interacts strongly with FeOx after high-temperature reductive treatment, featured by the formation of Pd single atoms in the FeOx matrix and increased Pd-Fe bonding, while Pt transforms into ordered PtFe intermetallics and Pt single atoms immediately upon the coating of FeOx. In contrast, Au does not manifest strong bonding with FeOx. As a proof of concept of tailoring metal-metal oxide interactions for catalysis, optimized Pd/FeOx demonstrates 100% conversion and 86.5% selectivity at 60 °C for acetylene semihydrogenation.

Facile synthesis of copper carbonate/cobalt carbonate/manganese carbonate and copper oxide/cobalt manganese oxide/manganese oxide as novel nanocomposites for efficient photocatalytic degradation of crystal violet dye

ABSTRACT In this work, copper carbonate/cobalt carbonate/manganese carbonate and copper oxide/cobalt manganese oxide/manganese oxide new nanocomposites were fabricated via precipitation of Cu(II)/Co(II)/Mn(II) solution using sodium carbonate and ignition of precipitate at 600°C for 3 h, respectively. Several instruments, including UV–Vis spectrophotometer, X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscope (TEM), nitrogen gas sorption analyser, and field emission scanning electron microscope (FE-SEM), were used to characterise the fabricated nanocomposites. Energy dispersive X-ray investigation confirmed that the composite produced owing to precipitation by sodium carbonate comprises carbon, oxygen, manganese, cobalt, and copper where the weight percentages are equal to 27.15, 52.49, 5.59, 5.75, and 9.02%, respectively. In addition, the composite produced owing to ignition at 600°C for 3 h comprises oxygen, manganese, cobalt, and copper where the weight percentages are equal to 8.62, 31.50, 38.58, and 21.30%, respectively. Transmission electron microscope examination confirmed that the composites produced owing to precipitation by sodium carbonate and ignition at 600°C for 3 h comprise polyhedral and spherical shapes with an average diameter of 36.85 and 22.34 nm, respectively. The BET surface area, average pore size, and total pore volume of the composite produced owing to precipitation by sodium carbonate are 29.8662 m2/g, 2.1634 nm, and 0.0323 cc/g, respectively. In addition, the BET surface area, average pore size, and total pore volume of the composite produced owing to ignition at 600°C for 3 h are 33.3714 m2/g, 5.2308 nm, and 0.0873 cc/g, respectively. 0.06 g of the fabricated nanocomposites degrade 100% of 60 mL of 15 mg/L of crystal violet dye solution within 20 min in the presence of hydrogen peroxide under UV irradiation.

X-rays investigations for the characterization of two 17th century brass instruments from Nuremberg

&lt;!--[if gte mso 11]&gt;&lt;w:PermStart w:id="682764414"&#x0D; w:edGrp="everyone"/&gt;&lt;![endif]--&gt;&lt;p&gt;A recent finding at the Castello Sforzesco in Milan of two brass natural horns from the end of the 17th century and assigned to the Haas family from Nuremberg brought to light new information about this class of objects. The instruments were heavily damaged, but their historical value was great. In this study, a multidisciplinary approach mainly based on non-invasive analytical techniques and including X-rays investigations (X-ray radiography, X-ray fluorescence and X-ray diffraction) was used. The present study was aimed at: i) pointing out the executive techniques for archaeometric purposes; ii) characterizing the morphological and the chemical features of materials; and iii) identifying and mapping the damages of the structure and the alterations of the surface.&lt;/p&gt;&lt;p class="Abstract"&gt;&lt;span lang="EN-US"&gt;&lt;br /&gt;&lt;!--[if gte mso 11]&gt;&lt;w:PermEnd w:id="682764414"/&gt;&lt;![endif]--&gt;&lt;/span&gt;&lt;/p&gt;

The effect of Zr (IV) doping on TiO2 thin film structure and optical characteristics

Dense thin films of TiO2 and TiO2 doped with Zr4+ were spin coated on glass substrate and annealed at 450 °C. The optical characteristics and crystalline structure were studied using UV–vis, PL, XRD, and SEM. X-ray investigation proved that an anatase phase was formed in all Zr-doped samples (0, 0.5, 1, 5, and 10 %). Zr-doping changes the band gap energy from Eg = 3.48 eV (undoped) to 3.57 eV (1 % doping), along with the large size of Zr4+ results in slight lattice enlargement. Increasing Zr-doping beyond 1.0 % is associated with decreasing the band gap due to amorphization of TiO2. The anatase crystallites growth is stalled with increasing doping; from 23.5 nm to 10.43 nm and micro-strain increases with increasing doping concentration. The changes in optical properties, crystal growth and structure properties are due to lattice strain created by the collective effect of Zr-doping and reduction in crystallite size. Zr-doped TiO2 nanoparticles exhibited typical photoluminescence (PL) matching to the visible spectrum region when excited at 275 nm. The produced thin films had a lower rate of electron–hole recombination than TiO2 that was not doped.

Crataegus sinaica defatted methanolic extract ameliorated monosodium iodoacetate-induced oxidative stress andinhibited inflammation in a rat model of osteoarthritis.

Osteoarthritis is a degenerative joint disease without definite treatment. It is characterized by intra-articular inflammation, cartilage degeneration, subchondral bone remodeling, and joint pain. The objective of the current study was to assess the anti-osteoarthritic effect and the possible underlying mechanism of action of Crataegus sinaica extract (CSE). Intra-articular injection of monosodium iodoacetate in the right knee joint of all rats was done except for the sham group. One week later, the anti-inflammatory efficacy of CSE (100, 200, 300 mg/kg, daily p.o) for 4 successive weeks versus ibuprofen (40 mg/kg, p.o) was assessed. Serum inflammatory cytokines; as well as weekly assessment of knee joint swelling, joint mobility, and motor coordination were done. At the end of the experiment, a histopathological investigation of the affected knee joints and an x-ray investigation were also executed. CSE significantly decreased joint swelling, pain behaviors, and serum levels of TNF-α, IL6, hyaluronic acid, and CTX-II. The radiographic findings revealed almost normal joint space with normal radiodensity and diameter in CSE-treated rats. As well, the histopathological and immunohistochemical investigations of the knee joints in CSE-treated groups retained the cartilage structure of knee joints. A significant reduction in the percentage of caspase-3-stained chondrocytes and a decrease in TGF-β1 immuno-positive areas in the synovial lining and sub lining were recorded in CSE-treated rats, compared to the osteoarthritis control group. This study approved the chondroprotective effects of CSE, and its ability to inhibit the pain associated with osteoarthritis.

In situ x-ray studies of growth of complex oxides on graphene by molecular beam epitaxy

Future technologies are likely to exploit flexible heterostructures exhibiting multifunctional properties constructed from multiple materials. One technique for the synthesis of such systems relies on remote epitaxy, a method employing graphene as a sacrificial layer between a crystalline substrate and an epitaxial film. The technique can be used to create single crystal heterostructures comprised of stacked epitaxial films, their properties optimized by minimizing incompatibilities between the different materials. Details regarding nucleation and growth via remote epitaxy remain unknown, however, due to the many difficulties in studying synthesis in the growth environment with atomic-scale resolution. Here, we describe an in situ synchrotron x-ray investigation of complex oxide thin film growth on graphene by molecular beam epitaxy. Phase retrieval methods were used to reconstruct the electron density profiles from x-ray crystal truncation rods measured under different growth conditions. Our in situ observations combined with post-growth spectroscopy provide a number of key insights regarding graphene in the synthesis environment and the resulting effects on the complex oxide/graphene heterostructure.

New salts of teriflunomide (TFM) – Single crystal X-ray and solid state NMR investigation

New salts of teriflunomide TFM (drug approved for Multiple Sclerosis treatment) with inorganic counterions: lithium (TFM_Li), sodium (TFM_Na), potassium (TFM_K), rubidium (TFM_Rb), caesium (TFM_Cs) and ammonium (TFM_NH4) were prepared and investigated employing solid state NMR Spectroscopy, Powder X-ray Diffraction PXRD and Single Crystal X-ray Diffraction (SC XRD). Crystal and molecular structures of three salts: TFM_Na (CCDC: 2173257), TFM_Cs (CCDC: 2165288) and TFM_NH4 (CCDC: 2165281) were determined and deposited. Compared to the native TFM, for all crystalline salt structures, a conformational change of the teriflunomide molecule involving about 180-degree rotation of the end group, forming an intramolecular hydrogen bond N–H⋯O is observed. By applying a complementary multi-technique approach, employing 1D and 2D solid state MAS NMR techniques, single and powder X-ray diffraction measurements, as well as the DFT-based GIPAW calculations of NMR chemical shifts for TFM_Na and TFM_Cs allowed to propose structural features of TFM_Li for which it was not possible to obtain adequate material for single crystal X-Ray measurement.

Enhanced photocatalytic and Antibacterial Activity of Copper oxide Nanoparticles Synthesized by Facile Combustion methods from Mussaendafrondosa Plant Extract

Microwave heating (MHM) and mutated sol-gel (SGM) mechanisms were used to effectively create CuO samples with two dissimilar morphologies, such as nanoparticles (CuO-NPs) and nanorods (CuO-NRs), using Mussaendafrondosalinn plant extract as the bio-reducing operator. X-ray powder diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray (EDX) investigations were used to analyze the sample's structure, pureness, and morphological characteristics. UV-Visible diffuse reflectance (DRS) and photoluminescence (PL) spectroscopy methodologies were used to analyze optical properties and calculate bandgap energy. The bandgap of the samples was measured using the Kubelka-Munk mechanism, and it was found to be 2.74eV and 2.33eV for CuO-NPs and CuO-NRs, correspondingly. CuO-NPs and CuO-NRs were investigated for antibacterial activity versus each Gram-positive and Gram-negative microorganisms using a modified disc diffusion method. When correlated to the sample CuO nanorods, the antibacterial study confirms that the sample CuO nanoparticles are high-grade antibacterial agents. Using solar lighting, the photocatalytic activity of CuO nano-reactants (CuO-NPs and CuO-NRs) for the degradation of methylene blue (MB) dye was investigated, and the findings revealed that CuO-NPs with tinier particle sizes degraded MB more than CuONRs.