Miracle-dz/UniFAR-FTUs huggingface dataset:
Analytical aspects of environmental chemistry

Chemical Speciation (R. Braman). Capillary Gas Chromatography in the Analysis of Environment (M. Novotny). Recent Advances in Gas Chromatography/Mass Spectrometry in Environmental Analysis (P. Ryan). Environmental Applications of Surface Analysis Techniques: Pas, XPS, Auger Electron Spectroscopy, SIMS (R. Linton et al.). ESCA in Environmental Chemistry (T. Novakov et al.). An Introduction to Multivariate Analysis of Environmental Data (P. Hopke). Index.
Spectroscopic Trends for the Determination of Illicit Drugs in Oral Fluid

Abstract The present work aims to review all of the articles published so far, focused on the determination of drugs of abuse in oral fluid. This fluid provides a simpler, faster, and more controllable sampling in comparison with the other biological fluids, such as blood or urine. Actually, the main goal of the researchers is to lower the limit of detection (LOD) to detect quantities of drugs smaller than the cut-off limits established by law for drug controls. Advances in Raman, infrared (IR), and nuclear magnetic resonance (NMR) spectroscopy applications are discussed. Surface-enhanced Raman spectroscopy (SERS) has been shown as the most sensitive technique for the detection of illicit drugs in oral fluid. The use of IR spectroscopy for determining drugs of abuse in oral fluid is growing, although the LODs obtained until now do not yet satisfy the necessities in the forensic field. Finally, NMR spectroscopy has seldom been used to determine drugs in oral fluid. Another future trend seems to be related with the use of portable instrumentation, which would allow us to perform in-situ analysis. This last application seems to be particularly promising to perform roadside drug tests and to identify overdose drugs in patients in emergency conditions.
Dehydriding process of α-AlH3 observed by transmission electron microscopy and electron energy-loss spectroscopy

The dehydriding reaction of α-AlH3 induced by high-energy electron irradiation was observed in situ by transmission electron microscopy and associated electron energy-loss spectroscopy (EELS). An α-AlH3 crystal decomposed into fine aluminum particles while retaining its initial external shape because of a thin rigid surface layer that covered the entire particle. EELS revealed that the thin surface layer was amorphous aluminum oxide, which stabilizes α-AlH3 particles at ambient temperature.
Isoprene photooxidation via the hydroperoxyl pathway

Photooxidation of isoprene has a large influence on the oxidation capacity of the atmosphere and is a significant source of secondary organic material (SOM) of atmospheric particles. A quantitative understanding of isoprene photooxidation mechanism, in particular in the clean atmosphere, is important but challenging. This thesis presents laboratory and field studies of isoprene photooxidation via the hydroperoxyl (HO2) pathway, believed to be the most important reaction pathway of isoprene-derived peroxy radicals under clean conditions, by using a switchable-reagention (NO + ; H3O + ) time-of-flight mass spectrometer (SRI-TOF-MS). Isoprene photooxidation via the HO2 pathway was investigated in a continuousflow chamber. Production yields of methyl vinyl ketone (MVK) and methacrolein (MACR) pathway were determined as (3.8 ± 1.3)% and (2.5 ± 0.9)%, respectively, at <2% RH at 25 o C. Production of MVK and MACR via the HO2 pathway implies concomitant production of hydroxyl ((6.3± 2.1)%) and hydroperoxyl ((6.3± 2.1)%) radicals. The experiments also revealed an unexpected instrument bias that isoprenederived hydroperoxides (ISOPOOH), the major isoprene oxidation products via the HO2 pathway, were detected as the same product ions as the MVK and MACR. This finding implies that scientific conclusions based on previous ambient measurements of MVK and MACR under clean conditions using similar techniques need to be revisited. As a followup study, preliminary analysis of the ambient measurements in the Amazon Basin iv showed that ISOPOOH isomers contributed to (36±15)% of the total concentration of MVK, MACR, and ISOPOOH isomers under clean conditions. The value is useful for reevaluation of previous measurements and also defines range of possible anthropogenic influence on isoprene chemistry in the region. SOM production from isoprene photooxidation via the HO2 pathway was also investigated. Isoprene photooxidation was separated from SOM production by using two continuous-flow reactors connected in series and operated at steady state. Relative importance of various intermediates was directly compared from the drop of their gasphase signals. Isoprene epoxydiols (IEPOX) had a much larger contribution to SOM production than other previously suggested isoprene SOM precursor, ISOPOOH isomers and isoprene, for a wide range of acidity. The IEPOX contribution to isoprene SOM production was further quantified. IEPOX isomers lost from the gas phase accounted for (46 ±11)% of the produced SOM mass concentration. The IEPOX isomers comprised (59±21)% (molecular count) of the loss of monitored gas-phase species. The implication is that for the investigated reaction conditions IEPOX pathway accounted for half of the SOM mass concentration.
ZMK1 Is Involved in K+ Uptake and Regulated by Protein Kinase ZmCIPK23 in Zea mays

Potassium (K+) is one of essential mineral elements for plant growth and development. K+ channels, especially AKT1-like channels, play crucial roles in K+ uptake in plant roots. Maize is one of important crops; however, the K+ uptake mechanism in maize is little known. Here, we report the physiological functions of K+ channel ZMK1 in K+ uptake and homeostasis in maize. ZMK1 is a homolog of Arabidopsis AKT1 channel in maize, and mainly expressed in maize root. Yeast complementation experiments and electrophysiological characterization in Xenopus oocytes indicated that ZMK1 could mediate K+ uptake. ZMK1 rescued the low-K+-sensitive phenotype of akt1 mutant and enhanced K+ uptake in Arabidopsis. Overexpression of ZMK1 also significantly increased K+ uptake activity in maize, but led to an oversensitive phenotype. Similar to AKT1 regulation, the protein kinase ZmCIPK23 interacted with ZMK1 and phosphorylated the cytosolic region of ZMK1, activating ZMK1-mediated K+ uptake. ZmCIPK23 could also complement the low-K+-sensitive phenotype of Arabidopsis cipk23/lks1 mutant. These findings demonstrate that ZMK1 together with ZmCIPK23 plays important roles in K+ uptake and homeostasis in maize.
Some experiments in nucleate boiling heat transfer.

The present series of experiments was designed to provide additional information on the mechanism of bubble formation in boiling liquids. In particular, knowing that a pre-pressurization treatment raises the boiling temperature of a body of water markedly, it was desired to determine the effect of such treatment on boiling from a metal heating surface immersed in the water. A 0.010" nichrome wire was immersed in a vessel of water, the entire assembly having been cleaned, and subjected to a pressure of 15000 psi for periods of time in excess of 15 minutes. The pressure was reduced to atmospheric and the wire heated to burnout by electric current. It was concluded that the effect of the treatment on the maximum heat transfer was small and equivalent to degassing the water. A second series of experiments was conducted in which the temperature of the wire at the onset of boiling in pre-pressurized water was measured. These experiments indicated that the wire reached a temperature considerably in excess of normal nucleation temperatures, dropping to normal at the instant of nucleation. This effect could be explained in terms of the theory which postulates bubble formation from pre-existing gas or vapor nuclei.
Decoy Receptor 3 Inhibits Monosodium Urate-Induced NLRP3 Inflammasome Activation via Reduction of Reactive Oxygen Species Production and Lysosomal Rupture

Gout is a common inflammatory arthritis caused by the deposition of monosodium urate (MSU) crystals in the joints. This activates the macrophages into a proinflammatory state by inducing NLRP3-dependent interleukin-1β (IL-1β) secretion, resulting in neutrophil recruitment. Soluble decoy receptor 3 (DcR3) is an immune modulator and can exert biological functions via decoy and non-decoy actions. Previously, we showed that DcR3 suppresses lipopolysaccharides (LPS)- and virus-induced inflammatory responses in the macrophages and promotes the macrophages into the M2 phenotype. In this study, we clarified the actions of DcR3 and its non-decoy action motif heparin sulfate proteoglycan (HSPG) binding domain (HBD) in the MSU crystal-induced NLRP3 inflammasome activation in the macrophages and in mice. In bone marrow-derived macrophages, THP-1 and U937 cells, we found that the MSU crystal-induced secretion of IL-1β and activation of NLRP3 were suppressed by both DcR3.Fc and HBD.Fc. The suppression of the MSU-induced NLRP3 inflammasome activation is accompanied by the inhibition of lysosomal rupture, mitochondrial production of the reactive oxygen species (ROS), expression of cathepsins, and activity of cathepsin B, without affecting the crystal uptake and the expression of NLRP3 or pro-IL-1β. In the air pouch mice model of gout, MSU induced less amounts of IL-1β and chemokines secretion, an increased M2/M1 macrophage ratio, and a reduction of neutrophil recruitment in DcR3-transgenic mice, which expresses DcR3 in myeloid cells. Similarly, the mice intravenously treated with DcR3.Fc or HBD.Fc displayed less inflammation response. These findings indicate that HBD of DcR3 can reduce MSU crystal-induced NLRP3 inflammasome activation via modulation of mitochondrial and lysosomal functions. Therefore, we, for the first time, demonstrate a new therapeutic potential of DcR3 for the treatment of gout.
Electrical properties of metal-ferroelectric (PbZr0.53Ti0.47O3)-polysilicon-insulator (Y2O3)-silicon capacitors and field-effect transistorsa)

In this work, Al∕PbZr0.53Ti0. 47O3(PZT)∕n+-polysilicon/Y2O3∕Si (MFPIS) capacitors and transistors were fabricated. A n+-polysilicon floating gate was used to reduce the depolarization field of the ferroelectric layer. The gate leakage current density was as low as 1.68×10−10A∕cm2 at 5V. The IDS-VGS memory window shows a maximum of 2.5V at a sweeping VGS voltage range of 9V. The subthreshold slope is 169mV∕decade. The IDS-VGS on and off ratio of MFPIS field effect transistor was about 104. The MFPIS field effect transistors maintained a threshold voltage window of about 1.6V after an elapsed time of 104s.
Decay studies at the end of the rp-process

The rapid proton-capture process (rp-process) produces proton rich nuclei on the surface of accreting neutron stars. The light curves of type I X-ray bursts are an observable result of the energy produced. In reaction networks, a series of (p, γ) reactions and β-decays proceed along a path close to the proton drip-line culminating, for some bursts, in a Sn—Sb—Te cycle. To address uncertainties in the masses near the proton drip-line, we have observed the β-decay of neutron-deficient Sb isotopes at the National Superconducting Cyclotron Laboratory at Michigan State University. A mixed beam of unstable nuclei was produced at the Coupled Cyclotron Facility and isolated in the A1900 fragment separator. Nuclei were then implanted and decays were observed in the NSCL β-decay end station. We discuss preliminary results on β-decay properties and the search for proton radioactivity.
Correlation of Organic Parameters Derived from Elemental Analysis and Programmed Pyrolysis of Kerogen

The quality, quantity, type, and level of hydrocarbon maturation of various organic-rich rock samples were evaluated by two different techniques: elemental analysis and programmed pyrolysis. Eighty samples varying in both total organic carbon (0.5-75 wt7c OC) and kerogen type were analyzed. Effects of the mineral matrix on measured geochemical parameters were examined by analysis of synthetic mixtures of separated kerogen (Types I, 11. and 111) and mineral matter (bentonite and illite at various percentages). Statistical analyses were performed on bulk rock samples, separated kerogen, and bitumen-extracted kerogen. Analyses include population descriptions, correlations, and stepwise multiple regression. Data parameters include: bulk rock Hydrogen Index (HI), sep- arated kerogen HI, bitumen-extracted kerogen HI, atomic H/C and O/C (bitumen-extracted kerogen), and 7i OC in bulk, separated. and bitumen-extracted samples. Results from a wide variety of hydrocarbon source rocks indicate that programmed pyrolysis can be used to predict atomic H/C. Although the variance of both methods is similar, the HI values derived from bulk rock samples consistently underestimate those derived from bitumen-extracted samples. Both measures are highly correlated (r = 0.87, P = 0.001). Guidelines for the practical application of bulk rock pyrolysis data to source rock evaluation studies are presented. In summary, standard pyrolysis techniques yield information which can be used for rapid, accurate appraisal of the quality, maturity, and type of organic material contained within a wide variety of organic-rich rocks.
The role of a silane coupling agent in the synthesis of hybrid polypyrrole–silica gel conducting particles

The preparation of new hybrid conducting polymer–silica gel particles is described. The silica gel acts as a high surface area substrate (431 m2 g–1) for the in situchemical synthesis of conducting polypyrrole in aqueous solution in order to obtain hybrid polypyrrole–silica particles. The role of a common silane coupling agent (i.e. aminopropyltriethoxysilane, APS) in the pretreatment of silica gel prior to polymerization and preparation of polypyrrole–APS–silica particles is also investigated. It was found by TGA that the polypyrrole mass loading is higher in polypyrrole–APS–silica than in polypyrrole–silica particles. XPS results indicated that APS-treated silica leads to polypyrrole-rich surface particles not found with the untreated silica. Consequently, the polypyrrole–APS–silica pellets were three orders of magnitude more conductive than those of polypyrrole–silica.The surface area of the polypyrrole–silica (422 m2 g–1), as measured by BET, matched that of the untreated silica whilst that of the polypyrrole–APS–silica (162–184 m2 g–1) is significantly lower. The combination of XPS, TGA, BET and conductivity measurements suggest that pyrrole is predominantly polymerized in the pores of the untreated silica gel whilst the APS pretreatment of silica leads to the formation of a thin overlayer of polypyrrole at the surface of the silica gel in addition to a higher conducting polymer loading in the gel pores.
Photothermal therapy using gold nanorods and near-infrared light in a murine melanoma model increases survival and decreases tumor volume

Photothermal therapy (PTT) treatments have shown strong potential in treating tumors through their ability to target destructive heat preferentially to tumor regions. In this paper we demonstrate that PTT in a murine melanoma model using gold nanorods (GNRs) and near-infrared (NIR) light decreases tumor volume and increases animal survival to an extent that is comparable to the current generation of melanoma drugs. GNRs, in particular, have shown a strong ability to reach ablative temperatures quickly in tumors when exposed to NIR light. The current research tests the efficacy of GNRs PTT in a difficult and fast growing murine melanoma model using a NIR light-emitting diode (LED) light source. LED light sources in the NIR spectrum could provide a safer and more practical approach to photothermal therapy than lasers. We also show that the LED light source can effectively and quickly heat in vitro and in vivo models to ablative temperatures when combined with GNRs. We anticipate that this approach could have significant implications for human cancer therapy.
Large Eddy Simulation of Turbulent Non-Premixed Swirling Flames

In this study Large Eddy Simulation (LES) technique has been applied to predict a selected swirling flame based on the Sydney swirl burner. The predicted flame is known as SMH1 having a swirl number of 0.32 and fuel of CH4:H2 (50:50) by volume. In the numerical methods, the governing equations for mass, momentum and mixture fraction are solved on a structured Cartesian grid with 1 million cells. Smagorinsky eddy viscosity model with localized dynamic procedure is used as the sub-grid scale turbulence model. The conserved scalar mixture fraction based thermo-chemical variables are described using a steady laminar flamelet model. With appropriate inflow, outflow boundary conditions and relatively fine grid resolutions, LES predicts the upstream recirculation zone and key flow features. The predictions show good agreement with experimental measurements for the velocity field. Some discrepancies in mixture fraction predictions were observed overall the predicted mean temperature and species concentrations are also reasonably good and agree with experimental measurements.
Electrostatic-field dependent activation energies modulate electron transfer of cytochrome c

Cytochrome c was electrostatically bound on Ag electrodes coated with self-assembled monolayers of carboxyl-terminated alkylthiols. Employing stationary and time-resolved surface enhanced resonance Raman spectroscopy, activation energies of the interfacial redox process were determined as a function of the electric field strength that was controlled by varying protein−electrode distance via the thiol alkyl chain length. At weak electric fields (long chain lengths), temperature- and overpotential-dependent measurements consistently yield a reorganization energy of 0.26 and 0.22 eV, respectively, which is distinctly lower than for cytochrome c in solution. This decrease is attributed to the lowering of the contribution of solvent reorganization for the reaction of the immobilized protein. At short alkyl chain length, high electric fields strongly raise the activation barrier for the structural reorganization of the protein and the rearrangement of the hydrogen bond network becomes rate limiting for the inte.
The Effect of Vacuum Annealing of Magnetite and Zero-Valent Iron Nanoparticles on the Removal of Aqueous Uranium

As-formed and vacuum annealed zero-valent iron nanoparticles (nano-Fe0) and magnetite nanoparticles (nano-Fe3O4) were tested for the removal of uranium from carbonate-rich mine water. Nanoparticles were introduced to batch systems containing the mine water under oxygen conditions representative of near-surface waters, with a uranyl solution studied as a simple comparator system. Despite the vacuum annealed nano-Fe0 having a 64.6% lower surface area than the standard nano-Fe0, similar U removal (>98%) was recorded during the initial stages of reaction with the mine water. In contrast, ≤15% U removal was recorded for the mine water treated with both as-formed and vacuum annealed nano-Fe3O4. Over extended reaction periods (>1 week), appreciable U rerelease was recorded for the mine water solutions treated using nano-Fe0, whilst the vacuum annealed material maintained U at <50 μg L−1 until 4 weeks reaction. XPS analysis of reacted nanoparticulate solids confirmed the partial chemical reduction of to in both nano-Fe0 water treatment systems, but with a greater amount of detected on the vacuum annealed particles. Results suggest that vacuum annealing can enhance the aqueous reactivity of nano-Fe0 and, for waters of complex chemistry, can improve the longevity of aqueous U removal.
Composition Dependence of the Thermal‐Diffusion Factors in He–CO2, Ne–CO2, and Xe–CO2 Mixtures

The composition dependence of the thermal‐diffusion factor in mixtures of carbon dioxide with helium, neon, and xenon has been studied with the help of an all‐glass eight‐tube trennschaukel or swing separator. In the case of He–CO2 and Ne–CO2 mixtures, α is found to increase with increasing concentration of the lighter component while in the Xe–CO2 mixture, α plotted against CO2, reaches a maximum value near 40% CO2 and falls off to a minimum value near 70% concentration of CO2. The theoretical composition‐dependence curves calculated on the Lennard‐Jones (12:6) model are found to reproduce qualitatively the shape of the experimental curves for the He–CO2 and Ne–CO2 systems.
Organizational culture effect on innovative orientation

Purpose – Innovation is crucial for attaining a competitive advantage for companies. Innovation, versus imitation, motivates companies to launch new products and become pioneers on markets. Many factors have been shown to be determinants for supporting an organizational innovative orientation. One of them is organizational culture. The objective of this paper is to analyze the organizational culture that fosters or inhibits organizational innovation and imitation strategy. Design/methodology/approach – The paper uses a sample of 471 Spanish companies for examining the hypotheses. Using hierarchical multiple regression analysis, it relates the effect of organizational culture with an innovation strategy. Findings – The results confirm the hypotheses. The paper finds that organizational culture is a clear determinant of innovation strategy. Moreover, adhocracy cultures foster innovation strategies and hierarchical cultures promote imitation cultures. Research limitations/implications – The main limitations are that data in the study were collected from one source for the cross-sectional design of this research. Practical implications – Managers should pay more attention to their organization culture if they pursue innovation/imitation strategies. Moreover, depending on this orientation (to be the first company to introduce in new markets or develop new products for a market versus to follow a pioneer), companies should promote different values and norms in their organizations. Originality/value – The main value of this paper is its analysis and testing of the relation of organizational culture and innovation orientation. The majority of the literature underlines the paper’s seeking after organizational culture for innovation. However, this topic has not been studied in depth and requires attention to different organizational cultures and innovation orientations.
Design of biomembrane-mimicking substrates of tunable viscosity to regulate cellular mechanoresponse

Minner, Daniel Eugene. Ph.D., Purdue University, December, 2010. Design of Biomembrane-Mimicking Substrates of Tunable Viscosity to Regulate Cellular Mechanoresponse. Major Professor: Christoph Naumann. Tissue cells display mechanosensitivity in their ability to discern and respond to changes in the viscoelastic properties of their surroundings. By anchoring and pulling, cells are capable of translating mechanical stimuli into a biological response through a process known as mechanotransduction, a pathway believed to critically impact cell adhesion, morphology and multiple cellular processes from migration to differentiation. While previous studies on polymeric gels have revealed the influence of substrate elasticity on cellular shape and function, a lack of suitable substrates (i.e. with mobile cell-substrate linkers) has hindered research on the role of substrate viscosity. This work presents the successful design and characterization of lipid-bilayer based cell substrates of tunable viscosity affecting cell-substrate linker mobility through changes in viscous drag. Here, two complementary membrane systems were employed to span a wide range of viscosity. Single polymer-tethered lipid bilayers were used to generate subtle changes in substrate viscosity while multiple, polymer-interconnected lipid bilayer stacks were capable of producing dramatic changes in substrate