Miracle-dz/UniFAR-FTUs huggingface dataset:
Bonding Surface area and Bonding Mechanism-Two Important Factors fir the Understanding of Powder Comparability

AbstractTwo factors could be regarded as primary factors for the compactability of powders: the dominating bond mechanism and the surface area over which these bonds are active. Owing to considerable experimental difficulties, these factors have not been evaluated in any detail for pharmaceutical materials. Instead, more indirect, secondary factors are normally studied and used for correlations with tablet strength. Such secondary factors are particle size, shape and surface texture. Also the importance of volume reduction mechanisms, i.e. elastic deformation, plastic deformation and particle fragmentation have been studied in detail.For the investigation of dominating bond mechanisms and estimation of the magnitude of the surface area of the solids involved in interparticulate attraction in compacts several pharmaceutical excipients representing both plastically deforming materials (sodium chloride, Avicel® PH 101, Sta-Rx 1500®, and sodium bicarbonate) and fragmenting materials (lactose, sucrose, paracet.
Cerebrovascular Reactivity: Purpose, Optimizing Methods, and Limitations to Interpretation – A Personal 20-Year Odyssey of (Re)searching

The brain is a neurovascular organ. A stimulus-response approach is effective in interrogating the physiology of its vasculature. Ideally, the stimulus is standardized across patients, and in a single patient over time. We developed a standard stimulus and attempted to measure, classify, and interpret the many forms of responses. Over the past 20 years, our work has delivered nuanced insights into normal cerebral vascular physiology, as well as adaptive physiological responses in the presence of disease. The trajectory of our understanding did not follow a logical linear progression; rather, it emerged as a coalescence of new, old, and previously dismissed, ideas that had accumulated over time. In this essay, we review what we believe were our most valuable – and sometimes controversial insights during our two decades-long journey.
Semiconductors for plasmonics and metamaterials

Plasmonics has conventionally been in the realm of metal‐optics. However, conventional metals as plasmonic elements in the near‐infrared (NIR) and visible spectral ranges suffer from problems such as large losses and incompatibility with semiconductor technology. Replacing metals with semiconductors can alleviate these problems if only semiconductors could exhibit negative real permittivity. Aluminum doped zinc oxide (AZO) is a low loss semiconductor that can show negative real permittivity in the NIR. A comparative assessment of AZO‐based plasmonic devices such as superlens and hyperlens with their metal‐based counterparts shows that AZO‐based devices significantly outperform at a wavelength of 1.55 µm. This provides a strong stimulus in turning to semiconductor plasmonics at the telecommunication wavelengths. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Transcriptional Repression of MFG-E8 Causes Disturbance in the Homeostasis of Cell Cycle Through DOCK/ZP4/STAT Signaling in Buffalo Mammary Epithelial Cells

The mammary gland is a unique apocrine gland made up of a branching network of ducts that end in alveoli. It is an ideal system to study the molecular mechanisms associated with cell proliferation, differentiation, and oncogenesis. MFG-E8, also known as Lactadherin, is a vital glycoprotein related to the milk fat globule membrane and initially identified to get secreted in bovine milk. Our previous report suggests that a high level of MFG-E8 is indicative of high milk yield in dairy animals. Here, we showed that MFG-E8 controls the cell growth and morphology of epithelial cells through a network of regulatory transcription factors. To understand the comprehensive action, we downregulated its expression in MECs by MFG-E8 specific shRNA. We generated a knockdown proteome profile of differentially expressed proteins through a quantitative iTRAQ experiment on a high-resolution mass spectrometer (Q-TOF). The downregulation of MFG-E8 resulted in reduced phagocytosis and cell migration ability, whereas it also leads to more lifespan to knockdown vis-a-vis healthy cells, which is confirmed through BrdU, MTT, and Caspase 3/7. The bioinformatics analysis revealed that MFG-E8 knockdown perturbs a large number of intracellular signaling, eventually leading to cessation in cell growth. Based on the directed network analysis, we found that MFG-E8 is activated by CX3CL1, TP63, and CSF2 and leads to the activation of SOCS3 and CCL2 for the regulation of cell proliferation. We further proved that the depletion of MFG-E8 resulted in activated cytoskeletal remodeling by MFG-E8 knockdown, which results in the activation of three independent pathways ZP4/JAK-STAT5, DOCK1/STAT3, and PIP3/AKT/mTOR. Overall, this study suggests that MFG-E8 expression in mammary epithelial cells is an indication of intracellular deterioration in cell health. To date, to the best of our knowledge, this is the first study that explores the downstream targets of MFG-E8 involved in the regulation of mammary epithelial cell health.
Structural investigation of human wild-type Cu, Zn superoxide dismutase – a biomolecular case study using DL_POLY_3

This article demonstrates the capability of DL_POLY_3 to study protein molecules at long time scales. The example shown here is the study of early stages of structural destabilisation of human superoxide dismutase (SOD1) as a result of metal depletions. Simulations of up to 4 ns have been carried out on wild-type SOD1. It is shown that the removal of metal ions from the active site essentially destabilises loop structures and provides a potential precursor for unintended protein–protein interactions to take place, as observed experimentally. The results reveal early stages of the destabilisation of structures that may enhance subsequent protein aggregations. It is found that the removal of Zn ion at the active sites of the protein enzyme causes a disruption to the Zn-loop and subsequently the electrostatic-loop (e-loops) with an increase in flexibility and mobility of the structures. The Zn ion is important to maintain structural integrity of the channel loops, whereas the Cu ions apparently play a lesser role in this aspect.
Reversible CO2 binding triggered by metal–ligand cooperation in a rhenium(I) PNP pincer-type complex and the reaction with dihydrogen

Herein we report the reversible binding of CO2 to a very rare dearomatized PNP pincer complex (cis-[Re(PNPtBu*)(CO)2] 2). The [1,3]-addition of CO2 to the pincer complex is triggered by metal–ligand cooperation via an aromatization/dearomatization sequence to form cis-[Re(PNPtBu–COO)(CO)2] (3) via Re–O and C–C bond formation. The reversible binding was demonstrated by the exchange reaction of 13CO2/CO2 from the isotopically labelled compound cis-[Re(PNPtBu–13COO)(CO)2] (3a). Furthermore, complex 3 reacts with H2 to give free CO2 and the aromatized hydride complex cis-[Re(PNPtBu)(CO)2H] (4), which undergoes the reverse reaction to re-form 3 under CO2 pressure at elevated temperature. Alternatively, 4 reacts, in a low temperature pathway, via the insertion of CO2 into the Re–H bond to give the formate complex cis-[Re(PNPtBu)(CO)2(OOCH)] (5)]. Remarkably, complex 5 catalyses efficiently the dehydrogenation of formic acid under base-free conditions.
Effects of Kikuchi scattering on reflection high‐energy electron diffraction intensities during molecular‐beam epitaxy GaAs growth

Intensity profiles along the specular streak of the reflection high‐energy electron diffraction (RHEED) pattern observed during GaAs growth by molecular‐beam epitaxy (MBE) show intensity peaks from diffuse scattering processes as well as the specular intensity peak. Intensity oscillations from the diffuse scattering peaks vary in phase with the intensity oscillation at the specular position, with the phase variation depending on the incident angle of the electron beam. Calculation of major Kikuchi line escape angles near the [110] azimuth shows that the diffuse scattering peaks observed are at Kikuchi angles. At some incident angles, interference between Kikuchi and specular scattering is found to change the phase of the oscillation observed at the specular position, as reported by other workers. Interference from Kikuchi processes should be more easily avoided when observing along an azimuth a few degrees off of the [110] direction than when observing directly along the [110] direction. Oscillation phase.
The Calculation of X‐Ray Mass Absorption Coefficients

An empirical method of calculating mass absorption coefficients is given. Complete tables of constants are presented for calculating μ/ρ for all elements and for wave‐lengths less than the K critical absorption wave‐length. Partial tables give constants for wave‐lengths between the L1 and M1 critical wave‐lengths.Calculated mass absorption coefficients are given for the common elements.
Synthesis and characterization of imidized poly(styrene‐maleic anhydride) nanoparticles in stable aqueous dispersion

Organic nanoparticles are synthesized by partial imidization of high-molecular weight styrene(maleic-anhydride) with 26 to 34 mol% maleic anhydride, in aqueous environment and presence of ammonium hydroxide. The nanoparticle dispersions have a maximum solid content of 35 wt% and good stability that critically depends on the ratio of imidized and ammonolyzed maleic anhydride moieties. The deprotonated residual maleic anhydride moieties provide dispersion stability at pH > 4, while protonation at pH < 4 causes nanoparticle sedimentation. After presentation of the synthesis conditions, the imidization reaction is characterized by FT-IR and Raman spectroscopy, followed by thermal analysis (TGA, DSC), and morphological characterization (DLS, SEM, TEM, AFM). The reaction conditions were optimized by physical characterization of various dispersions, and finally nanoparticles could be obtained with a maximum degree of imidization of 77% in dispersed conditions, or 90 to 95% after drying that are favorable for coating applications. Copyright © 2010 John Wiley & Sons, Ltd.
Hybrid and Aqueous Lithium‐Air Batteries

Lithium‐air (Li‐air) batteries have become attractive because of their extremely high theoretical energy density. However, conventional Li‐air cells operating with non‐aqueous electrolytes suffer from poor cycle life and low practical energy density due to the clogging of the porous air cathode by insoluble discharge products, contamination of the organic electrolyte and lithium metal anode by moist air, and decomposition of the electrolyte during cycling. These difficulties may be overcome by adopting a cell configuration that consists of a lithium‐metal anode protected from air by a Li+‐ion solid electrolyte and an air electrode in an aqueous catholyte. In this type of configuration, a Li+‐ion conducting “buffer” layer between the lithium‐metal anode and the solid electrolyte is often necessary due to the instability of many solid electrolytes in contact with lithium metal. Based on the type of buffer layer, two different battery configurations are possible: “hybrid” Li‐air batteries and “aqueous” Li‐air batteries. The hybrid and aqueous Li‐air batteries utilize the same battery chemistry and face similar challenges that limit the cell performance. Here, an overview of recent developments in hybrid and aqueous Li‐air batteries is provided and the factors that influence their performance and impede their practical applications, followed by future directions are discussed.
Effect of First Network Topology on the Toughness of Double Network Hydrogels

The fracture toughness of a double network (DN) hydrogel is shown here to be directly proportional to the toughness of the first-formed network. A series of DN gels was prepared in which the cross-link density of the first (tighter) network was controlled by varying the monomer and cross-linker concentrations. The toughness, tensile strength and elastic modulus of the DN gels increased significantly with an increase in the cross-link density of the first network and with identically prepared second networks. Moreover, the toughness of the double network was found to be linearly related to the toughness of the first network with an amplification factor of ∼150 times. Existing models of DN fracture based on network strand scission are utilized to quantify the relationship between the first network toughness and the DN toughness.
Graphene oxide as a photocatalytic material

The photocatalytic characteristics of graphene oxide (GO) nanostructures synthesized by modified Hummer’s method were investigated by measuring reduction rate of resazurin (RZ) into resorufin (RF) as a function of UV irradiation time. The progress of the photocatalytic reaction was monitored by change in color from blue (RZ) into pink (RF) followed by absorption spectra. It exhibited excellent photocatalytic activity, leading to the reduction of RZ in UV irradiation. The fitting of absorbance maximum versus time suggests that the reduction of RZ follow the pseudo first-order reaction kinetics. These results indicate that GO have great potential for use as a photocatalyst.
Power efficient adaptive mitigation of local interference in multimode wireless transceivers

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Ionic Conductivity and Discharge Characteristic Studies of PVA-Mg(CH3COO)2 Solid Polymer Electrolytes

Ion conducting solid polymer electrolytes based on a polymer polyvinyl alcohol (PVA) complexed with magnesium acetate (Mg(CH3COO)2) were prepared by solution cast technique. Various experimental techniques, such as XRD, DSC, composition-dependent conductivity, temperature-dependent conductivity, and transport number measurements are used to characterize these polymer electrolyte films. The transference number data indicated the dominance of ion-type charge transport in these polymer electrolyte systems. An electrochemical cell with the configuration Mg/(80PVA + 20Mg(CH3COO)2)/(I2 + C + electrolyte) has been fabricated and its discharge characteristics were studied. The Open Circuit Voltage (OCV) is 1.84 V.
Assessment of maximum cooking temperatures in previously heat treated beef. Part 1: Near infrared spectroscopy

Near infrared diffuse reflectance (NIR) and transmittance (NIT) spectroscopy were studied as potential methods for determination of the previous heat treatment of beef. Ninety-four samples of M longissimus dorsi from 33 bulls were heat treated at nine different temperatures between 50 and 85°C, and analysed by NIR and NIT spectroscopy. The samples were analysed by NIR and NIT in both ‘wet’ and freeze dried states. The NIR and NIT methods were able to determine the maximum temperature of previously heat treated beef with a prediction error of 2.0-2.1°C in the temperature range 50–85°C. Freeze drying of the samples prior to analysis reduced the prediction error to 1.4°C for the NIR method. NIR and NIT should be useful as fast screening methods to determine whether beef has been adequately heat treated.
In‐Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal‐insulator transition

In this paper the recent experimental and theoretical progress in understanding the properties of the In‐Si(111)(4 × 1)/(8 × 2) nanowire array – a prototypical model system for exploring electron transport at the atomic scale – is reviewed. Density functional theory (DFT) calculations illustrate how strongly structural, vibrational, and electronic properties of atomic‐scale wires are intertwined. Numerical simulations of the nanowire optical response in comparison with recent measurements settle eventually the long‐standing debate on the nanowire ground‐state geometry in favor of hexagons. Soft phonon modes are found to transform the nanowire structurally between the insulating hexagon structure and metallic In zigzag chains. The subtle balance between the lower energy of the insulating phase and the larger vibrational entropy of the metallic wires is demonstrated to cause the temperature‐dependent phase transition. The dynamic fluctuation model proposed earlier to explain the phase transition is shown to contradict the experimental information on the metal insulator transition of the nanowires. The influence of adatoms on the quantum transport and phase transition is discussed.
Stereo Vision Based Digital Watermarking Using Regularized Feature-based Disparity Estimation

This article proposes a stereo vision based digital watermarking scheme that uses regularized feature-based disparity estimation for copyright protection of stereo content. The watermark data are embedded into the right image of a stereo image using the discrete wavelet transform algorithm, and a disparity vector is extracted from the left and watermarked right images. The disparity vector and the left image are then transmitted to the recipient through a communication channel. At the receiver, the watermarked right image is reconstructed from the received left image and disparity vector by employing regularized feature-based disparity estimation. From the difference between the watermarked and original right images, the embedded watermark image can then be extracted. From experiments using the stereo image pair of "Fichier," "Tunnel," and watermark data of "3D," it was found that the peak signal to noise ratio (PSNR) of the reconstructed right image through the proposed algorithm can be improved by an average of 3.61 dB compared to those of a conventional algorithm. At the same time, the PSNR of the watermark image extracted from this reconstructed right image can also be improved by an average of 2.36 dB when the Quantizer Scale is given as 20.
A Lagrange multiplier-type test for idiosyncratic unit roots in the exact factor model under misspecification

We consider an exact factor model and derive a Lagrange multiplier-type test for unit roots in the idiosyncratic components. The asymptotic distribution of the statistic is derived under the misspecification that the differenced factors are white noise. We prove that the asymptotic distribution is independent of the distribution of the factors, and that the factors are allowed to be integrated, cointegrate, or be stationary. In a simulation study, size and power is compared with some popular second generation panel unit root tests. The simulations suggest that our statistic is well-behaved in terms of size and that it is powerful and robust in comparison with existing tests.
Enhanced adsorption capacity and selectivity towards salicylic acid in water by a cationic polymer functionalized 3-D ordered macroporous adsorbent

3-D ordered macroporous (3DOM) materials have exhibited advantages in the adsorption field. Their monodisperse macropores undergo facile modification, and the interconnected cavities enhance accessibility to the active sites, while the short diffusion path of the thin pore walls accelerates material exchange. A 3DOM material can increase the number of adsorption sites by the grafting of a polymer chain with functional groups from the pore wall of the 3DOM resin. In this study, different amounts of the cationic polymer poly(N,N-dimethylaminoethyl methacrylate) (PDMAEMA) were grafted from the pore wall of a 3DOM cross-linked polystyrene (3DOM CLPS-g-PDMAEMA) via surface-initiated atom transfer radical polymerization (SI-ATRP) and salicylic acid (SA) was employed as the model adsorbate. PDMAEMA chains can adopt a more extended conformation in water. Therefore, the adsorption capacity increases with the grafted amount due to the increasing number of adsorption sites and the extended chain conformation. The 3DOM CLPS-g-PDMAEMA exhibits a very high adsorption capacity towards SA (390 mg g−1 when the initial concentration of SA is 500 mg L−1) which is even higher than that of activated carbon. Moreover, the 3DOM adsorbent also exhibits a high adsorption selectivity between SA and phenol, and the selectivity coefficient for SA reaches 45.8 in the presence of phenol. The 3DOM adsorbent is also reusable and can be regenerated by sodium hydroxide solution. The results of fifteen adsorption–desorption cycles show that all the adsorption capacities maintain above 85% of the original SA loading capacity. We envision that novel 3DOM polymeric adsorption will play a significant role in developing a new generation adsorbent.
From coconut shell to porous graphene-like nanosheets for high-power supercapacitors

Sheet-like graphitic carbon with a porous structure can provide low-resistant pathways and short ion-diffusion channels for energy storage, and thus is expected to be an excellent material for high-power supercapacitors. Herein, porous graphene-like nanosheets (PGNSs) with a large surface area were synthesized for the first time via an easy and cost-effective SAG (simultaneous activation–graphitization) route from renewable biomass waste coconut shell. In the synthesis, the graphitic catalyst precursor (FeCl3) and activating agent (ZnCl2) were introduced simultaneously into the skeleton of the coconut shell through coordination of the metal precursor with the functional groups in the coconut shell, thus making simultaneous realization of activation and graphitization of the carbon source under heat treatment. Notably, the iron catalyst in the framework of the coconut shell can generate a carburized phase which plays a key role in the formation of a graphene-like structure during the pyrolytic process. Our results indicated that PGNSs possess good electrical conductivity due to the high graphitic degree, exceptionally high Brunauer–Emmett–Teller surface area (SBET = 1874 m2 g−1) and large pore volume (1.21 cm3 g−1). While being used as a supercapacitor electrode without the use of any conductive additives, PGNSs exhibit a high specific capacitance of 268 F g−1, much higher than that of activated carbon (210 F g−1) fabricated by only activation and graphitic carbon (117 F g−1) by only graphitization at 1 A g−1. Also, PGNSs show superior cycle durability and Coulombic efficiency over 99.5% after 5000 cycles in KOH. Remarkably, in an organic electrolyte, PGNSs also display an outstanding capacitance of 196 F g−1 at 1 A g−1. An energy density of up to 54.7 W h kg−1 could be achieved at a high power density of 10 kW kg−1. The SAG strategy developed here would provide a novel route for low-cost and large-scale production of PGNS electrode materials for high-power supercapacitors.