铋和镍对钒磷氧化物催化剂性能的影响YunHinTaufiq-Yap,ChoonSeonYuen,Nawi简

Vanadium phosphorus oxide (VPO) catalysts were synthesized by the dihydrate method which involved the two steps for the preparation of the dihydrate (VOPO₄×2H₂O) and the precursor hemihydrate (VOHPO₄×0.5H₂O). Bi and Ni salt were added into the mixture of VOPO₄×2H₂O and isobutanol, and the obtained precursors were calcined in a flow of a n-butane/air mixture to produce the promoted VPO catalysts. The catalysts were characterized by X-ray diffraction (XRD), N₂ adsorption-desorption, inductively coupled plasma-atomic emission spectroscopy, scanning electron microscopy (SEM), and H₂ temperature-programmed reduction (H₂-TPR). Their catalytic properties were tested using a fixed-bed microreactor. All the catalysts gave main XRD peaks at 2θ = 22.9°, 28.5°, and 30.0°, attributing to the (020), (204), and (221) planes of the pyrophosphate phase (VO)₂P₂O₇, respectively. The promoted catalysts have smaller crystallite size and higher specific surface areas. SEM micrographs revealed the formation of more prominent plate-like crystallites that were arranged as rosette clusters. H₂-TPR results showed that the promoted catalysts had lower reduction peak temperatures and possessed higher amounts of V⁵⁺-O^2- and V⁴⁺-O^- pairs, which gave higher selectivity and activity in the selective oxidation of n-butane to maleic anhydride.     

铋和镍对钒磷氧化物催化剂性能的影响(英文)

Vanadium phosphorus oxide (VPO) catalysts were synthesized by the dihydrate method which involved the two steps for the preparation of the dihydrate (VOPO4 2H2 O) and the precursor hemi-hydrate (VOHPO4 0.5H2 O). Bi and Ni salt were added into the mixture of VOPO4 2H2 O and isobu-tanol, and the obtained precursors were calcined in a flow of a n-butane/air mixture to produce the promoted VPO catalysts. The catalysts were characterized by X-ray diffraction (XRD), N2 adsorp-tion- desorption, inductively coupled plasma-atomic emission spectroscopy, scanning electron mi-croscopy (SEM), and H2 temperature-programmed reduction (H2 -TPR). Their catalytic properties were tested using a fixed-bed microreactor. All the catalysts gave main XRD peaks at 2θ = 22.9°, 28.5°, and 30.0°, attributing to the (020), (204), and (221) planes of the pyrophosphate phase (VO)2 P2 O7, respectively. The promoted catalysts have smaller crystallite size and higher specific surface areas. SEM micrographs revealed the formation of more prominent plate-like crystallites that were arranged as rosette clusters. H2 -TPR results showed that the promoted catalysts had lower reduction peak temperatures and possessed higher amounts of V5+-O2– and V4+-O– pairs, which gave higher selectivity and activity in the selective oxidation of n-butane to maleic anhydride.     

Combination of acid labile detergent and C18 Empore™ disks for improved identification and sequence coverage of in-gel digested proteins

A protocol for improved extraction of peptides from in-gel protein digests, using a combination of the acid labile surfactant, sodium deoxycholate (SDC) and C18 Empore™ membranes, is presented. This approach results in better mass spectrum quality, higher numbers of identified peptide peaks and improved identification scores compared to standard tryptic digestion protocols, or protocols using only SDC or only C18 Empore™ disks. The advantages of the new protocol are demonstrated for two different types of samples: Merino wool intermediate filament proteins and Elaeis guineensis (oil palm) mesocarp proteins.     

Amorphous particle deposition and product quality under different conditions in a spray dryer

Deposition of amorphous particles, as a prevalent problem particularly in the spray drying of fruit and vegetable juices, is due to low-molecular weight sugars and is strongly dependent on the condition of the particles upon collision with the dryer wall. This paper investigates the condition of the amorphous particles impacting the wall at different drying conditions with the aim of elucidating the deposition mechanism and physical phenomena in the drying chamber. A model sucrose-maltodextrin solution was used to represent the low-molecular-weight sugar. Particle deposits were collected on sampling plates placed inside the dryer for analyses of moisture content, particle rigidity (using SEM) and size distribution. Moisture content was adopted as a general indicator of stickiness. Product particles collected at the bottom of the experimental dryer were found to have higher moisture than particle deposits on samplers inside the dryer. Moisture content profile in the dryer shows that apart from the atomizer region, where particles are relatively wet, particle deposits at other regions exhibit similar lower moisture content. At the highest temperature adopted in the experiments, particles became rubbery suggesting liquid-bridge formation as the dominant deposition mechanism. Further analysis on particles size distribution reveals a particle segregation mechanism whereby smaller particles follow preferentially to the central air stream while larger particles tend to re-circulate in the chamber, as predicted in past CFD simulation. The findings from this work will form the basis and provide validating data for further modeling of wall deposition of amorphous particles in spray drying using CFD.     

Tocotrienol as a Protecting Agent against Glucocorticoid-Induced Osteoporosis: A Mini Review of Potential Mechanisms

Glucocorticoid-induced osteogenic dysfunction is the main pathologyical mechanism underlying the development of glucocorticoid-induced osteoporosis. Glucocorticoids promote adipogenic differentiation and osteoblast apoptosis through various pathways. Various ongoing studies are exploring the potential of natural products in preventing glucocorticoid-induced osteoporosis. Preclinical studies have consistently shown the bone protective effects of tocotrienol through its antioxidant and anabolic effects. This review aims to summarise the potential mechanisms of tocotrienol in preventing glucocorticoid-induced osteoporosis based on existing in vivo and in vitro evidence. The current literature showed that tocotrienol prevents oxidative damage on osteoblasts exposed to high levels of glucocorticoids. Tocotrienol reduces lipid peroxidation and increases oxidative stress enzyme activities. The reduction in oxidative stress protects the osteoblasts and preserves the bone microstructure and biomechanical strength of glucocorticoid-treated animals. In other animal models, tocotrienol has been shown to activate the Wnt/β-catenin pathway and lower the RANKL/OPG ratio, which are the targets of glucocorticoids. In conclusion, tocotrienol enhances osteogenic differentiation and bone formation in glucocorticoid-treated osteoblasts while improving structural integrity in glucocorticoid-treated rats. This is achieved by preventing oxidative stress and osteoblast apoptosis. However, these preclinical results should be validated in a randomised controlled trial.     

Spin-Dependent First-Principles Study on Optoelectronic Properties of Neodymium Zirconates Pyrochlores Nd2Zr2O7 in Fd-3m and Pmma Phases

Rare-earth zirconate pyrochlores (RE₂Zr₂O₇) are of much fundamental and technological interest as optoelectronic, scintillator and thermal barrier coating materials. For the first time, we report the detailed optoelectronic properties of rare-earth zirconates Nd₂Zr₂O₇ in both, i.e., for spin up and spin down states, via the use of first-principles density functional theory (DFT) procedure. To obtain the desired optoelectronic properties, we used a highly accurate method called full-potential linearized augmented plane wave (FPLAPW) within the generalized gradient approximation (GGA), parametrized with Hubbard potential U as an exchange-correlation function. The band gaps predicted for Nd₂Zr₂O₇ were of the order 2.4 eV and 2.5 eV in Fd-3m and Pmma symmetrical phases, respectively. For both the phases, our research involved a complete examination of the optical properties of Nd₂Zr₂O₇, including extinction coefficient, absorption coefficient, energy loss, function, reflectivity, refractive index, and real optical conductivity, analyzed in the spectral range from 0.0 eV to 14 eV. The calculated optical properties in both phases showed a considerable spin-dependent effect. The electronic bonding characteristics of different species in Nd₂Zr₂O₇ within the two crystal symmetries were explored via the density distribution mapping of charge.     

GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Our study used the full-potential linearized augmented plane waves (FP-LAPW) method to conduct a first-principles evaluation of the structural, electronic, and magnetic properties of ThMn₂X₂ (X = Si and Ge) compounds. To establish theoretical dependability with the currently available experimental results, computations for the structural findings of ternary intermetallic thorium (Th)-based compounds were achieved using the generalized gradient approximation in the scheme of Perdew–Burke–Ernzerhof (PBE–GGA) potential, while the generalized gradient approximation plus the Hubbard U (GGA + U) approach was employed to improve the electrical and magnetic properties. In contrast with both the paramagnetic (PM) and antiferromagnetic (AFM) phases, the ThMn₂X₂ compounds were optimized in a stable ferromagnetic (FM) phase, which was more suited for studying and analyzing magnetic properties. The electronic band structures (BS) and the density of state (DOS) were computed using the two PBE–GGA and GGA + U approximations. The thorium (Th)-based ThMn₂X₂ compound has full metallic character, due to the crossing and overlapping of bands across the Fermi level of energy, as well as the absence of a gap through both spin (up and down) channels. There was a significant hybridization between (Mn-d and (X = Si and Ge)-p states of conduction band with Th-f states in the valence band. The total magnetic moment of ThMn₂Si₂ in the ferromagnetic phase was 7.94534 μB, while for ThMn₂Ge₂ it was 8.73824 μB with a major contribution from the Mn atom. In addition, the ThMn₂Ge₂ compound’s total magnetic moment confirmed that it exhibits higher ferromagnetism than does the ThMn₂Si₂ compound.     

Syntheses of novel 1,5-benzodiazepine derivatives: Crystal structures,spectroscopic characterizations,Hirshfeld surface analyses,molecular docking studies,DFT calculations,corrosion inhibition anticipation,and antibacterial activities

A series of newly pyrazolo-1,5-benzodiazepine derivatives ( 5 - 7 ) was performed and characterized by using ¹H, ¹³C-NMR spectroscopic measurements. The molecular and crystal structures of two compounds 2 and 7 have also been further examined by single-crystal X-ray crystallography showing that the alkyl groups are beard by sulfur atom and to pyrazolic nitrogen atom in position 2 and not in position 1 of the tricyclic compounds as described in the literature. In addition, through Hirshfeld surface analysis, molecular docking studies, and DFT calculations, the closest contact between the active atoms of the compound can be determined. Also, the Monte Carlo simulations outcomes show that compounds 2 and 7 can be considered as a good acidic corrosion inhibitor for the aluminum metal, while emphasizing that the compound 7 provides enhanced prevention. Finally, compounds 1 to 7 were evaluated for their antibacterial activity against Gram-positive and Gram-negative microbial strains such as Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Streptococcus. The results obtained demonstrated the antibacterial activity of compounds 1 to 7 tested using the minimal inhibitory concentration.     

Health and ecological hazards due to natural radioactivity in soil from mining areas of Nasarawa State,Nigeria

Nasarawa State is located in north central Nigeria and it is known as Nigeria's home of solid minerals. It is endowed with barite, copper, zinc, tantalite and granite. Continuous releases of mining waste and tailings into the biosphere may result in a build-up of radionuclides in air, water and soil. This work therefore aims to measure the activity concentration levels of primordial radionuclides in the soil/sediment samples collected from selected mines of the mining areas of Nasarawa State. The paper also assesses the radiological and radio ecological impacts of mining activities on the residents of mining areas and their environment. The activity concentrations of primordial radionuclides (²²⁶Ra, ²³²Th and ⁴⁰K) in the surface soils/sediment samples were determined using sodium iodide-thallium gamma spectroscopy. Seven major mines were considered with 21 samples taken from each of the mines for radiochemistry analysis. The human health hazard assessment was conducted using regulatory methodologies set by the United Nations Scientific Committee on the Effects of Atomic Radiation, while the radio ecological impact assessment was conducted using the ERICA tool v. 1.2. The result shows that the activity concentrations of ⁴⁰K in the water ways of the Akiri copper and the Azara barite mines are 60 and 67?% higher than the world average value for ⁴⁰K, respectively. In all mines, the annual effective dose rates (mSv y^?1) were less than unity, and a maximum annual gonadal dose of 0.58 mSv y^?1 is received at the Akiri copper mine, which is almost twice the world average value for gonadal dose. The external hazard indices for all the mines were less than unity. Our results also show that mollusc-gastropod, insect larvae, mollusc-bivalve and zooplankton are the freshwater biotas with the highest dose rates ranging from 5 to 7 µGy h^?1. These higher dose rates could be associated with zinc and copper mining at Abuni and Akiri, respectively. The most exposed terrestrial reference organisms are lichen and bryophytes. In all cases, the radio ecological risks are not likely to be discernible. This paper presents a pioneer data for ecological risk from ionizing contaminants due to mining activity in Nasarawa State, Nigeria. Its methodology could be adopted for future work on radioecology of mining.