Miracle-dz/UniFAR-FTUs huggingface dataset:
Electrochemical behavior and surface structural change of LiMn2O4 charged to 5.1 V

Charging a spinel LiMn2O4 cathode material to high voltage (>4.3 V) is a convenient way to obtain more lithium ions for formation of an anodic solid-electrolyte-interface in a full cell. In this work, a LiMn2O4 spinel cathode material was charged to 5.1 V for only one cycle during normal cycling (3–4.3 V) to study the impact of high voltage on the electrochemical performance and structure. The electrochemical performance showed that more lithium ions were de-intercalated from the cathode structure during cycling between 3 and 5.1 V. However, even upon cycling to high voltage for only one cycle, the surface of the cathode demonstrated a drastic change in the atomic-level structure. Via an advanced scanning transmission electron microscopy (STEM) technique, the formation of a layered-like phase was directly observed on the surface of spinel LiMn2O4 charged to high voltage, implying the instability of the spinel structure at high charge voltage. This observation contradicts to the conventional wisdom that the spinel structure is more stable than the layered structure during lithium intercalation. X-ray photoelectron spectroscopy (XPS) results showed a small amount of manganese with lower oxidation states after being charged to 5.1 V, suggesting an accelerated speed of manganese dissolution.
Direct measurement of microbial ATP in activated sludge samples

A procedure is described to determine ATP directly (i.e. without separated extraction) in sludge samples. For a series of laboratory units, linear relationships were observed between their ATP-contents and their respective cell residence times, loading rates, substrate removal and oxygen uptake rates. The potential use of ATP as a control parameter for activated sludge is discussed.
Performance studies of a conical nozzle designed for the macromolecular skin delivery

Human skin is an attractive site for the delivery of protein and peptide-based macromolecular drugs for the treatment of topical and systemic diseases as well as for DNA immunisation. However, the delivery of those macromolecules in or across the skin is undesirably limited due to its permeation property. To expand the number of macromolecules to be delivered to specific targeting tissue/cells, a unique biomedical device, the handheld powdered injection system, has been developed. It is a novel transdermal technology that disposes needles (and syringes), circumvents the need for refrigeration (of vaccines) and has the potential to revolutionise the treatment and prevention of major diseases. To further underwrite device characteristics, in this paper, an advanced computational fluid dynamics technology is utilised to model gas, particle dynamics and gas–particle-target interaction. The statistical analyses show that the microparticles can achieve a mean velocity of 704 m/s representative of intracellular macromolecular deliveries. Knowledge on the gas and particle dynamics can be applied to design effective and efficient handheld powdered delivery systems.
Electrochemical and SEM studies of a new implant bioalloy in physiological electrolytes

A new implant Ti–7Al–3V–2Mo–2Fe alloy was elaborated and its behaviour in Ringer–Brown and Ringer solutions (of different pH values) was studied using cyclic potentiodynamic and linear polarisation, electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM) with its link energy dispersive X‐ray system (EDX). Cyclic potentiodynamic polarisation curves revealed that the Ti–7Al–3V–2Mo–2Fe alloy is self‐passivated in Ringer solutions. Pitting corrosion appeared in alkaline Ringer solution but at very electropositive values of the breakdown and pitting protection potentials and it is not possible to develop local corrosion on this alloy, even in extreme functional conditions. EIS spectra at open circuit potential exhibited two phase angles characterising a resistant passive film and some charge transfer reactions. SEM–EDX analysis shows the presence of some aggregates containing complex compounds of calcium, magnesium, phosphor, silicon deposited on the alloy surface.
The Biogeochemistry of Radioactively Contaminated Land

A global legacy of radioactively contaminated land exists as a result of nuclear fuel cycle operations. Demonstration of the safe management of the UK nuclear legacy, including contaminated land, is important whilst the long term fate of legacy waste remains uncertain and the UK is moves towards new nuclear power. One aspect of nuclear contaminated land research focuses on the immobilisation of intermediate and long lived radionuclides that are mobile in groundwater and are migrating in the environment. At Sellafield nuclear facility, UK, strontium-90 and technetium-99 are found as co-contaminants in groundwater alongside the most abundant non radioactive contaminant, nitrate. Their differing radiochemical behaviour and the presence of nitrate presents a challenge for remediation strategies. Bioremediation has the potential for in-situ immobilization of 99Tc via reduction from mobile Tc(VII) to less mobile Tc(IV) concurrent with Fe(III) reduction. In this project bioreduction processes were investigated in sediment microcosms and model systems under variable pH and nitrate conditions and using microorganisms representative of the Sellafield site. Sediment bioreduction occurred via stimulation of the natural microbial community. Denitrification resulted a delay in the onset of metal reduction followed by a raised pH. At the mildly acidic pH of the natural sediments, a nitrate concentration of 100 mM caused bioreduction to stall. However, at pH 7, reduction of 100 mM nitrate resulted in a final pH > 9 and alkaline Fe(III) reduction. In bioreduced sediments, the microbial ecology was dominated by nitrate reducing microorganisms and Fe(III) reducing enrichment cultures were necessary to identify relevant alkaline Fe(III) reducing bacteria. Enrichment cultures isolated a novel alkali tolerant Fe(III) reducing Serratia sp. with a growth range of pH 4 to 9. Increased pH resulting from denitrification decreased the mobility of Sr2+ via increased sorption to mineral surfaces. X-ray absorption spectroscopy confirmed Sr2+ incorporation into carbonate mineral phases above pH 8.5. Model systems showed reductive removal of 99Tc from solution by an Fe(II) bearing mineral assemblage at both pH 7 and 9. In contrast Sr2+ remained in solution at pH 7 and precipitated as SrCO3 at pH > 8.5. This study for the first time demonstrates the effects of high nitrate on pH in Sellafield type sediments, alkaline Fe(III) reduction by a Serratia sp, the incorporation behaviour of Sr2+ during sediment bioreduction and the behaviour of Sr2+ and 99Tc in novel Fe(II) mineral bearing model systems. These findings improve the understanding of radionuclide migration at contaminated sites and inform possible engineered bioremediation scenarios.
Economic Implications of New Technologies for Licensed and Unlicensed Spectrum

Rapid changes in technology create challenges and opportunities for spectrum regulators. Enabling connectivity and maximizing the value of the very finite amount of bandwidth available will play an increasingly important role in the country's economic development and innovative potential. In this paper, we attempt to clarify the nature of spectrum as an economic resource. We show how and why there will be market failure, and how the tools available to regulators might best be deployed in response. We consider the spectrum needs of emerging technologies and how judicious choices of protocols, regulations, market structures might help satisfy them. In particular, we focus on factors that make licensed or unlicensed approaches the best choice for different use cases. Finally, we discuss the similarities between wireless and wired broadband and what this suggest about net neutrality and market structure in the appendix.
Transient acoustoelectric spectroscopy measurements for the characterization of GaAs epilayer structures

A new measurement technique, acoustoelectric deep-level transient spectroscopy (AE-DLTS) is used to characterize the GaAs epilayer film grown on a semi-insulating GaAs substrate. The electric field, generated by the propagation of a surface acoustic wave (SAW) on a piezoelectric crystal, is used as a probing tool to study the transient behaviour of deep levels. This field interacts with the free carriers present in the semiconductor, resulting in an alteration of the carrier density at the surface of the semiconductor and the generation of a DC voltage. The rate at which excess charges are induced at the semiconductor surface, or diminished after the passage of the SAW pulse, is related to the position and the cross section of the deep levels at the interface between the epilayer and the substrate. The theoretical analysis of the fall time of the DC voltage is presented along with experimental verification. In our experiments the voltage transients were recorded as a function of incident photon energy and at different temperatures, and the thermal and optical cross sections of the EL2 level in GaAs were evaluated from computer fit.
Stabilization of Wired Glucose Oxidase Anodes Rotating at 1000 rpm at 37°C

The stability of glucose electro-oxidizing anodes rotating at 1000 rpm at 37°C was investigated. The anodes were made by coating 3 mm diam vitreous carbon disks with a cross-linked, electron conducting redox hydrogel, which electrically connected reaction centers of glucose oxidase to the electrode. The endurance of the hydrogel films under the shear stress resulting from the rotation depended on their cross-linking. Periodate oxidation of enzyme oligosaccharides, thereby forming multiple Schiff bases which cross-linked the enzyme and the redox polymer, combined with additional cross-linking by a diepoxide, resulted in toughened electrocatalytic films that survived the shearing caused by the rotation. The main residual cause of damage to the toughened films was chemical attack by H 2 O 2 , an undesired by-product. Overcoating the wired enzyme film with a layer of immobilized catalase reduced such damage. The current density of glucose electro-oxidation of the stabilized rotating electrodes was at 50 mM concentration, 420 μA cm -2 , decaying in the 1 h test period by 28 μA/cm 2 .
Discovery of a Novel 5-HT_（2A） Inhibitor by Pharmacophore-based Virtual Screening

The serotonin 2A(5-HT2A) receptor has been implicated in several neurological conditions and potent 5-HT2A antagonists have therapeutic effects in the treatment of schizo phrenia and depression.In this study,a potent novel 5-HT2A inhibitor 05245768 with a Ki value of (593.89±34.10) nmol/L was discovered by integrating a set of computational approaches and experiments(protein structure prediction,pharmacophore-based virtual screening,automated molecular docking and pharmacological bioassay). The 5-HT2A receptor showed a negatively charged bin-ding pocket.The binding mode of compound 05245768 with 5-HT2A was obtained by GOLD docking procedure,which revealed the conserved interaction between protonated nitrogen in compound 05245768 and carboxylate group of D3.32 at the active site of 5-HT2A.
Assessing soluble organic nitrogen pools in horticultural soils: a case study in the suburbs of Shanghai (China)

Abstract Soil soluble organic nitrogen plays a significantly important role in nitrogen biogeochemical cycling. The aim of this study was to investigate the amount of soluble organic and inorganic nitrogen pools extracted by water, salt solutions, and centrifugal-drainage technique from different horticultural management system soils. Approximately 5.4–16.6, 4.4–46.5, 7.1–18.2, 8.8–27.8, 1.8–5.6, and 1.7–4.4 mg kg − 1 soluble organic nitrogen were obtained by 1M KCl, 0.5M K2SO4, 10 mM CaCl2, 1/15 mM phosphate buffer (pH 7.0), water, and centrifugal-drainage technique, respectively, in the 0–20 cm horticultural soils. Large variation in soluble organic nitrogen pools was observed across the sites in the present study and the volumes of soluble organic nitrogen pools generally followed the order: organic production system soil > conventional production system soil > transitional production system soil. In relative contrast to soluble organic nitrogen, organic management, known primarily for the absence of artificial fertilizers and pesticides, resulted in significantly lower levels of both soluble inorganic nitrogen and total soluble nitrogen in the soil. The degree of soluble inorganic nitrogen recovery appears highly dependent on the different chemical extractants and generally followed the series: phosphate buffer (pH 7.0) > KCl≈K2SO4 > CaCl2 > water > centrifugal-drainage technique. The soluble organic carbon and nitrogen in all soil extracts were all positively related to soil total carbon, total nitrogen, and electric conductivity value. This suggested that soil total carbon and nitrogen played a central role in the retention of soluble organic nitrogen in soils. Further studies on investigating the soluble organic nitrogen degradation pathway and its bottleneck are warranted.
Analysis of interspecies physicochemical variation of grain legume seeds

Abstract The paper presents an attempt to assess the reaction of seeds to mechanical loads taking into account their geometry expressed as seed thickness and 1000 seed weight. The initial material comprised 33 genotypes of grain legume plants and included cultivars registered in the country and breeding lines that are subject to pre-registration trials. The analysis of variance revealed significant diversity of the cultivars and lines of the species studied in terms of each of the analysed trait. The highest weight of 1000 seeds were obtained for white lupine seeds and peas, the lowest for andean lupine seeds. The maximum deformation and energy were obtained for white lupine seeds, the lowest for pea seeds, the maximum force and module the lowest values were determined for narrow-leafed lupine and pea. The highest values of protein were obtained for andean and yellow lupine, a fat content for andean and white lupine. The fatty acid profile as much as 70% or more were linoleic and oleic acids. Against the background of all the species are distinguished by white lupine seeds with a high content of oleic acid and the lowest of linoleic acid, for yellow lupine were obtained the inverse ratio of the two acids.
Tannins and Related Polyphenols of Melastomataceous Plants. I. Hydrolyzable Tannins from Tibouchina semidecandra COGN.

Four new hydrolyzable tannins, methylvescalagin and nobotanins, A, D and F, along with eleven known polyphenolics, have been isolated from the leaves of Tibouchina semidecandra COGN. Based on spectral and chemical evidence, nobotanin D was characterized as 1, 6-di-O-galloyl-2, 3-O-(S)-hexahydroxydiphenoyl-β-D-glucose (16), and the structures of nobotanins A (17) and F (18) were established as dimeric hydrolyzable tannins possessing a valoneoyl group as a linking unit between the monomers.
OPTIMUS-EP storage reservoir with a vacuum chamber filled by a system of suction and force pumps

Hydraulic bases of the operation of an OPTIMUS-EP reservoir belonging to a new group of energy-saving reservoirs in sewerage systems are presented. This reservoir has a vacuum chamber being filled with sewage by a controlled system of suction and force pumps. The processes of a vacuum chamber filling and emptying are controlled by a regulator allowing the air to be released into the atmosphere when a chamber is being filled with sewage and a constant sewage outflow to be kept when a chamber is being emptied. A reservoir is fully capable of equalizing sewage outflow. Drawing of sewage from a vacuum chamber ensures optimal time of pump work.
Synergistic Effect of Functionalized Silica Nanoparticles and a β-Nucleating Agent for the Improvement of the Mechanical Properties of a Propylene/Ethylene Random Copolymer

In the current study, neat (SiO2) and methacrylate-modified silica nanoparticles (SiO2-MAA) are added simultaneously with a β-nucleated agent in propylene/ethylene random copolymer (PPR). From Fourier transform infrared (FTIR) spectra, it is found that modified silica can be joined covalently with PPR macromolecular backbones with the help of poly(propylene-g-maleic anhydride) copolymer, improving dispersion of nanoparticles and increasing their adhesion with the PPR matrix. The formation of β-phase crystals was evaluated by X-ray diffraction (XRD) along with the crystallinity, crystal size and d-spacing values. Tensile tests and dynamic mechanical analysis confirmed the reinforcement effect of the nanoparticles as well as the effect of β-crystals on the final properties of the nanocomposites.
Effects of cannabinoid receptor interacting protein (CRIP1a) on cannabinoid (CB1) receptor function

EFFECTS OF CANNABINOID RECEPTOR INTERACTING PROTEIN (CRIP1a) ON CANNABINOID (CB1) RECEPTOR FUNCTION. By Tricia Hardt Smith, B.S., M.S. A dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at Virginia Commonwealth University Virginia Commonwealth University, 2009. Major Director: Dana E. Selley, Ph.D., Department of Pharmacology and Toxicology This dissertation examines modulation of cannabinoid CB1 receptor function by Cannabinoid Receptor Interacting Protein (CRIP1a), a novel protein that binds the Cterminus of CB1 receptors. In Human embryonic kidney cells expressing human CB1 receptors (hCB1-HEK) and hCB1-HEK cells stably co-expressing CRIP1a (hCB1-HEKCRIP1a), quantitative immunoblotting revealed a CRIP1a/CB1 molar ratio of 5.4 and 0.37, respectively, with no difference in CB1 receptor expression. To test the hypothesis that CRIP1a modulates CB1 receptor signaling, G-protein and effector activity were examined with and without full, partial and inverse agonists. [ 35 S]GTPS binding, which measures G-protein-coupled receptor (GPCR)-mediated G-protein activation, showed that CRIP1a inhibited constitutive CB1 receptor activity, as indicated by the decreased effect of the inverse agonist SR141716A. CRIP1a also decreased CB1 receptor-mediated G-protein activation by high efficacy agonists, whereas moderate and low efficacy agonists were unaffected. In experiments varying Na + concentration, CRIP1a decreased spontaneous Gprotein activation at low Na + concentrations, where spontaneous GPCR activity is highest. This effect was eliminated by pertussis toxin pre-treatment, indicating that CRIP1a only inhibits GPCR-mediated activity. To determine whether CRIP1a modulates
TLC Fingerprint of Flavonoids and Saponins from Passiflora Species

Abstract Several Passiflora species, known in Brazil as maracujás, are used as flavour and as juice in food industries, whereas passionflower extract has an ancient tradition in folk medicine as a sedative. Due to few phytochemical and pharmacological studies, there are no quality criteria for these Passiflora species as raw material. In this work, we present unique fingerprints of fourteen samples of Passiflora species relating to the presence of flavonoids and saponins. These chemical characterisations can provide, for example, authentication of samples, detection of adulterations, and differentiation between closely related species.
Nature of the Interaction between a Peptidolipid Langmuir Monolayer and Paraoxon in the Subphase

Surface potential and Infrared Reflection−absorption spectroscopy (IRRAS) measurements have been used to investigate the interaction between a peptidolipid (stearoyl−Phe−Trp−Ser−His−Glu) Langmuir monolayer and paraoxon aqueous solution as subphase. The molecular recognition in this system involved π−π interactions between the nitrobenzene group of paraoxon and aromatic groups in the peptidolipid. Of particular importance was the dependence of the surface potential on the concentration of paraoxon. Effects were practically negligible for 1.0 × 10-5 and 1.0 × 10-6 M paraoxon concentrations, but the Langmuir monolayer surface potential dropped due to the interaction with paraoxon at a concentration equal or higher than 1.0 × 10-4 M. At 1.5 × 10-3 M, the surface potential−area (ΔV−A) isotherm for the peptidolipid displayed an unusual shape, with an almost constant, near-zero surface potential during the monolayer compression. This was interpreted on the basis of IRRAS results as being due to reorientation of .
Copolymerization of 2,3-Dihydropyran and Ethyl Vinyl Ether with Maleic Anhydride

Abstract 2,3-Dihydropyran (DHP) and ethyl vinyl ether (EVE) were co-polymerized with maleic anhydride (MA) with benzoyl peroxide at 60°C, and 1:1 alternating copolymers were obtained. The rates were maximum at 1:1 monomer composition. Spontaneous copolymerization and solvent effect on the rate were observed in the copolymerization of DHP with MA, in which initial rates were slower in more polar solvents. Participation of charge transfer complex was considered. EVE copolymerized rapidly with MA, reaching the theoretical limiting conversion of 1:1 alternating copolymerization. Although DHP-MA comonomer pair and EVE-MA comonomer pair formed similar 1:1 charge transfer complexes, DHP copolymerized slowly with MA to produce a low molecular weight copolymer, and the limiting conversion was much lower than the theoretical one. To explain these, degradative chain transfer to DHP monomer is proposed as the initial rate of DHP-MA copolymerization is proportional to the initiator concentration to the power 1.1. Q an.
Modified action of cypermethrin enantiomers on axonal sodium and potassium channels of Periplaneta fuliginosa (Serville).

The action of cypermethrin enantiomers were tested on isolated giant axons of the cockroach Periplaneta fulginosa (Serville) by using oil-gap, single-fiber and voltage-clamp recording technique. The insecticidal activity of cypermethrin has been shown primarily related to the stercochemical features of the molecule. The results of the present studies further included the following aspects: 1. In voltage-clamp, the cis-cypermethrin (2×10-5 mol/L) did not modify potassium currents, but slowly reduced the peak inward current. 2. Prolonged sodium tail-current developed after 20-25 minutes of cypermethrin exposure, presumably due to that fact that more sodium channels were held in the open state for an extended period. 3. The sup-prtssion of both sodium and potassium currents by the trans-cypermethrin (5.4×10-4mol/L) was noted after 75-90 minutes of exposure.
The Glycosides of Martynia louisiana MILL. A New Phenylpropanoid Glycoside, Martynoside

A new phenylpropanoid glycoside, martynoside (1), was isolated from the leaves and stems of Martynia louisiana MILL. (syn. Proboscidea Jussieui STEUD.) (Martyniaceae) together with acteoside (2), roseoside (3), cornoside (4), ajugol (5) and mioporoside (6). The structure of martynoside was elucidated to be 1 by chemical and spectral evidence. The isolation of catalpol (7) and cornoside (4) from the fresh unripe fruits was also described.
Calculation of spectroscopic parameters for diatomic molecules of atmospheric interest

Abstract : A complete recalculation of fundamental spectroscopic parameters, in particular transitional frequency and line intensity, has been accomplished for the diatomic molecules carbon monoxide (CO), and the hydrogen halides (HF, HCI, HBr, and HI). The results have been cast into the form of the 1986 edition of the HITRAN molecular database. A primary goal of this effort was to produce parameters sufficient for the high temperature database, HITEMP, so that additional isotopic variants and additional hot and overtone bands for these species are included, also extending the bands to higher rotational levels than previously available. The spectral coverage is from the submillimeter region (pure rotational lines) through the visible (higher overtones). Keywords: Absorption; Line positions; Diatomic; Intensities; Diatomic; Infrared.