Contrasting Magnetic Characteristics of Disordered Nd0.5Ba0.5Mn0.5Fe0.5O3-δ/2 and 112-Type Ordered NdBaMnFeO6-δ Perovskites.

The magnetic properties of disordered Nd0.5Ba0.5Mn0.5Fe0.5O3-δ/2 and ordered NdBaMnFeO6-δ perovskites were investigated through temperature- and field-dependent DC-magnetization measurements. The temperature dependence of magnetic susceptibilities revealed that antiferromagnetic ordering occurs at temperatures below 185 K for the disordered Nd0.5Ba0.5Mn0.5Fe0.5O3-δ/2 sample, whereas the ordered NdBaMnFeO6-δ perovskite exhibited a paramagnetic state throughout the entire temperature range examined. Notably, the disordered sample exhibited a glassy state, even at room temperature, which transformed into an antiferromagnetic state under higher applied magnetic fields. The magnetic ordering in the disordered Nd0.5Ba0.5Mn0.5Fe0.5O3-δ/2 perovskite and the magnetic-disordering state in the structurally ordered NdBaMnFeO6-δ perovskite could be attributed to the alteration of the oxidation state of Mn.

Exploring the solubility and intermolecular interactions of biologically significant amino acids l-serine and L-cysteine in binary mixtures of H2O + DMF, H2O + DMSO and H2O + ACN in temperature range from T = 288.15 K to 308.15 K.

In the presented work, a study on the solubility and intermolecular interactions of l-serine and L-cysteine was carried out in binary mixtures of H2O + dimethylformamide (DMF), H2O + dimethylsulfoxide (DMSO), and H2O + acetonitrile (ACN) in the temperature range of T = 288.15 K to 308.15 K. l-serine exhibited the highest solubility in water, while L-cysteine was more soluble in water-DMF. The solvation process was assessed through standard Gibbs energy calculations, indicating the solvation stability order: water-ACN > water-DMSO > water-DMF for l-serine, and water-DMF > water-DMSO > water-ACN for L-cysteine. This study also explored the influence of these amino acids on solvent-solvent interactions, revealing changes in chemical entropies and self-association patterns within the binary solvent mixtures.

DFT Insights into MAX Phase Borides Hf2AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf2AC [A = S, Se, Te].

In this work, density functional theory (DFT)-based calculations were performed to compute the physical properties (structural stability, mechanical behavior, and electronic, thermodynamic, and optical properties) of synthesized MAX phases Hf2SB, Hf2SC, Hf2SeB, Hf2SeC, and Hf2TeB and the as-yet-undiscovered MAX carbide phase Hf2TeC. Calculations of formation energy, phonon dispersion curves, and elastic constants confirmed the stability of the aforementioned compounds, including the predicted Hf2TeC. The obtained values of lattice parameters, elastic constants, and elastic moduli of Hf2SB, Hf2SC, Hf2SeB, Hf2SeC, and Hf2TeB showed fair agreement with earlier studies, whereas the values of the aforementioned parameters for the predicted Hf2TeC exhibit a good consequence of B replacement by C. The anisotropic mechanical properties are exhibited by the considered MAX phases. The metallic nature and its anisotropic behavior were revealed by the electronic band structure and density of states. The analysis of the thermal properties-Debye temperature, melting temperature, minimum thermal conductivity, and Grüneisen parameter-confirmed that the carbide phases were more suited than the boride phases considered herein. The MAX phase's response to incoming photons further demonstrated that they were metallic. Their suitability for use as coating materials to prevent solar heating was demonstrated by the reflectivity spectra. Additionally, this study demonstrated the impact of B replacing C in the MAX phases.

Influences of Partial Destruction of Ti-MOFs on Photo(electro)catalytic H2 Evolution by Dominating Role of Charge Carrier Trapping over Surface Area.

The design of water-stable photo and electrocatalysts of metal-organic frameworks (MOFs) for its promising catalytic applications at long-term irradiations or persisted current loads is extremely necessary but still remains as challenging. A limited number of reports on Ti-MOF-based catalysts for water splitting are only available to explain and understand the correlation between the nature of materials and MOFs array. Herein, spherical Ti-MOFs and corresponding partially annealed hollow core-shell Ti-MOFs (Ti-MOF/D) are designed and the correlation with their photo(electro)catalytic water splitting performance is evaluated. The switchable valence state of Ti for the Ti-MOF as a function of molecular bonding is the possible reason behind the observed photocatalytic hydrogen generation and light-harvesting ability of the system. Besides, the defect state, solid core-shell mesoporous structure, and active sites of Ti-MOF help to trap the charge carriers and the reduction of the recombination process. This phenomenon is absent for hollow core-shells Ti-MOF/D spheres due to the rigid TiO2 outer surface although there is a contradiction in surface area with Ti-MOF. Considering the diversity of Ti-MOF and Ti-MOF/D, further novel research can be designed using this way to manipulate their properties as per the requirements.

Solubility analysis of homologous series of amino acids and solvation energetics in aqueous potassium sulfate solution.

In this study we estimated the solubilities of glycine, D,L-alanine, D,L-nor-valine and D,L-serine in aqueous mixtures of potassium sulfate (K2SO4) at 298.15 K using analytical 'gravimetric method'. The experimental solubilities of homologous series of amino acids in aqueous K2SO4 mixture were discussed in terms of relative solubility, salting-in and salting-out effect by evaluating the influential constants. The effect of physicochemical and chemical factors on solubility were discussed briefly and correlated with the thermodynamics. Initially, the study of solvation energetics such as transfer Gibbs energies were evaluated based on the calculations from solubility data and relative stability of the experimental molecules was discussed under the experimental condition.

A co-expression network for differentially expressed genes in bladder cancer and a risk score model for predicting survival.

BACKGROUND: Urothelial bladder cancer (BLCA) is one of the most common internal malignancies worldwide with poor prognosis. This study aims to explore effective prognostic biomarkers and construct a prognostic risk score model for patients with BLCA. METHODS: Weighted gene co-expression network analysis (WGCNA) was used for identifying the co-expression module related to the pathological stage of BLCA based on the RNA-Seq data retrieved from The Cancer Genome Atlas database. Prognostic biomarkers screened by Cox proportional hazard regression model and random forest were used to construct a risk score model that can predict the prognosis of patients with BLCA. The GSE13507 dataset was used as the independent testing dataset to test the performance of the risk score model in predicting the prognosis of patients with BLCA. RESULTS: WGCNA identified seven co-expression modules, in which the brown module consisted of 77 genes was most significantly correlated with the pathological stage of BLCA. Cox proportional hazard regression model and random forest identified TPST1 and P3H4 as prognostic biomarkers. Elevated TPST1 and P3H4 expressions were associated with the high pathological stage and worse survival. The risk score model based on the expression level of TPST1 and P3H4 outperformed pathological stage indicators and previously proposed prognostic models. CONCLUSION: The gene co-expression network-based study could provide additional insight into the tumorigenesis and progression of BLCA, and our proposed risk score model may aid physicians in the assessment of the prognosis of patients with BLCA.

Recent Progress and Approaches on Carbon-Free Energy from Water Splitting.

Sunlight is the most abundant renewable energy resource, providing the earth with enough power that is capable of taking care of all of humanity's desires-a hundred times over. However, as it is at times diffuse and intermittent, it raises issues concerning how best to reap this energy and store it for times when the Sun is not shining. With increasing population in the world and modern economic development, there will be an additional increase in energy demand. Devices that use daylight to separate water into individual chemical elements may well be the answer to this issue, as water splitting produces an ideal fuel. If such devices that generate fuel were to become widely adopted, they must be low in cost, both for supplying and operation. Therefore, it is essential to research for cheap technologies for water ripping. This review summarizes the progress made toward such development, the open challenges existing, and the approaches undertaken to generate carbon-free energy through water splitting.

Evaluation of myocardial protection in off-pump vs. on-pump coronary bypass surgery by troponin I estimation.

BACKGROUND: This prospective non-randomized clinical study was done to compare Off-pump and On-pump myocardial revascularization by Troponin I release in patients undergoing first elective coronary artery bypass graft used to evaluate myocardial injury. METHODS: One hundred an twenty patients were non-randomly assigned to a Off-pump or On-pump myocardial revascularization group. Cardiac Troponin I (CTnI) were measured in serial venous blood samples drawn preoperatively in both groups. In On-pump group after aortic unclamping at 12 and 24 hours and in Off-pump group after the last distal anastomosis at 12 and 24 hours. RESULTS: The total amount of CTnI release were significantly higher in On-pump group than in Off-pump group. In On-pump group it was 2.1 +/- 1.9 (mean +/- SD) ng/ml vs in Off-pump group it was 1.0 +/- 1.7 (mean +/- SD) ng/ml at 12 hours and in On-pump group it was 1.6 +/- 1.6 (mean +/- SD) ng/ml vs. in Off-pump group it was .9 +/- 1.6 (mean +/- SD) ng/ml at 24 hours (P < 0.0001 for the pattern). CONCLUSION: The lower release of CTnI in the Off-pump myocardial revascularization group indicates that the arrested heart coronary revascularization group causes more damage to the heart due to cardiopulmonary bypass than Off-pump myocardial revascularization group.

Toxicological studies of two compounds isolated from Loranthus globosus Roxb.

The sub-acute toxicities of two compounds 3,4-dimethoxycinnamyl alcohol (1) and 3,4,5-trimethoxycinnamyl alcohol (2) isolated from the plant Loranthus globosus Roxb were studied on long Evan's rats. The studies included the gross general observation such as changes in body weight, haematological profiles [total count of Red Blood Cells (RBC) and White Blood Cells (WBC), differential count of WBC, platelet count and Haemoglobin (Hb)%], biochemical parameters of blood [Serum Glutamate Oxaloacetate Transaminase (SGOT), Serum Glutamate Pyruvate Transaminase (SGPT), Serum Alkaline Phosphatase (SALP), urea and creatinine) and histopathology of the liver, kidney, heart and lung of both control and experimental groups of rats. The changes in haematological and biochemical parameters were statistically not significant after the administration of compounds 1 and 2 in a dose of 300 microg/rat/day for consecutive 14 days. No abnormality was found in the histopathology of the liver, kidney, heart and lung in the experimental groups of rats following same dose when compared with control group. This preliminary study suggests that the isolated compounds may be used safely for clinical trial.