Miracle-dz/UniFAR-FTUs huggingface dataset:
SPECTROSCOPIC METHODS FOR CHARACTERIZATION OF NONVIRAL GENE DELIVERY SYSTEMS FROM A PHARMACEUTICAL POINT OF VIEW

Introduction of nucleic acids into mammalian and plant cells has become, in recent years, a well established procedure in basic and applied research, and the methods involved therein are now useful for the development of gene-based medicines as a new class of pharmaceuticals. The incorporation of the gene of interest into a plasmid construct by molecular biology techniques, the complexation and condensation of nucleic acids by means of cationic agents, is the first step for enabling DNA to get into the cells of interest in a biologically active state. Monitoring this condensation procedure for scientific and quality control purposes is mostly performed by optical spectroscopy methods. A fluorimetric, high-throughput-assay has been developed for the characterization of non-viral gene delivery systems. Protamine sulfate and cationic DOTAP liposomes were used to condense the plasmid DNA. The DNA was labeled with nucleic acid stains, and the quenching of fluorescence by the addition of condensing agents was measured. PicoGreen™ was compared to a number of common nucleic acid stains (ethidium bromide, ethidium- homodimer-2, acridine orange, BOBO-1, POPO-1, TOTO-1, YOYO-1, BOBO-3, POPO-3, TOTO-3, YOYO-3, BO-PRO-1, PO-PRO-1, TO-PRO-1, YO-PRO-1, BO-PRO-3, PO-PRO-3, TO-PRO-3, YO-PRO-3), and was found to be an advantageous nucleic acid stain for the fluorimetric characterization of condensation. Stability of nucleic acid-dye complex, reproducibility and the signal-to-noise ratio make PicoGreen™ a dye of choice for condensation experiments. Condensation was quantified by the fitting of condensation curves to the “Hill equation”. Relative fluorescence intensity, Hill slope and kinetics of DNA-condensation provide the calculated values for advanced characterization of DNA-condensation. Fluorescence spectroscopy are compared to agarose gel electrophoresis as another approach for biophysical characterization of DNA-condensation. Advantages and disadvantages of the two methods are discussed.
LDPE/starch blends compatibilized with PE‐g‐MA copolymers

In the present study, low-density polyethylene (LDPE) and plasticized starch (PLST) blends, containing different percentages of PLST, were prepared. In these blends, two different polyethylene/maleic anhydride graft (PE-g-MA) copolymers containing 0.4 and 0.8 mol % anhydride groups, respectively, were added as compati- bilizers at 10 wt % PLST. The compatibilization reaction was followed by FTIR spec- troscopy. The morphology of the blends was studied using scanning electron microscopy (SEM). It was found that as the amount of anhydride groups in the copolymers increases a finer dispersion of PLST in the LDPE matrix is achieved. This is reflected in the mechanical properties of the blends and especially in the tensile strength. The blends compatibilized with the PE-g-MA copolymer containing 0.8 mol % anhydride groups have a higher tensile strength, which in all blends, even in those containing 20 and 30 wt % PLST, is similar to that of pure LDPE. The biodegradation of the blends followed the exposure to activated sludge. It was found that the compatibilized blends have only a slightly lower biodegradation rate compared to the uncompatibilized blends. © 1998 John Wiley & Sons, Inc. J Appl Polym Sci 70: 1503-1521, 1998
Project Bloks: Embodied and Collaborative Learning With Tangible Interfaces for Young Children

: This interactive demo presents Project Bloks, a development platform for tangible programming to enable young children to learn programming. The modularity of the platform demonstrates technical and design advances that can benefit not only designers, makers, and educators who can create activities for this platform, but also the children we strive to engage. With this demo, we hope to facilitate new thinking around about embodied and collaborative learning with tangible interfaces for young children.
Los microorganismos en los abonos orgánicos a partir de podas en la Universidad del Norte, Colombia

El compostaje es un proceso biologico aerobio exotermico en el que los microorganismos descomponen biologicamente y mineralizan un sustrato organico logrando un producto final estable, libre de patogenos y de semillas que puede ser aplicado al suelo de forma beneficiosa. Desde 2009, en la Universidad del Norte ubicada en Barranquilla, Colombia, se ensaya el metodo Indore de compostaje pero modificado–solo se usan residuos vegetales y la aireacion es pasiva – buscando reducir olores y controles operativos y hacerlo atractivo en la produccion artesanal de abono. En las experiencias se han variado las condiciones de entrada de la composta obteniendo abono tipo “A” segun la norma control: la chilena 2880 de 2004. La investigacion aqui resenada corresponde a niveles alto y bajo en la relacion Carbono/Nitrogeno (C/N) y a inocular o no microorganismos nativos (Aspergillus Niger y Streptomyce), buscando acelerar el proceso. Las respuestas de los microorganismos termofilos y mesofilos participantes, concordaron con los materiales de la composta, la relacion C/N, la evolucion de las variables fisico – quimicas por cuenta de los microorganismos y la aireacion involucrada. La calidad del abono indica que los microorganismos cuentan con los nutrientes requeridos (presentes en los residuos vegetales utilizados) y que el sistema desarrolla una cinetica bioxidativa suficiente y similar a la obtenida en otros procesos que adicionan residuos animales y aireacion forzada.
Crystal structure of 2-(ortho-hydroxyphenyl)-benzimidazolium chloride monohydrate, C13H13ClN2O2

C13H13ClN2O2, triclinic, P1 (no. 2), a = 8.324(1) Å, b = 8.641(1) Å, c = 10.268(2) Å, ' = 114.512(5)°, % = 110.490(6)°, ! = 92.377(7)°, V = 614.1 Å, Z = 2, Rgt(F) = 0.0303, wRref(F ) = 0.0878, T = 200 K.
Hoover NPT dynamics for systems varying in shape and size

In this paper we write down equations of motion (following the approach pioneered by Hoover) for an exact isothermal-isobaric molecular dynamics simulation, and we extend them to multiple thermostating rates, to a shape-varying cell and to molecular systems, coherently with the previous ‘extended system method’. An integration scheme is proposed together with a numerical illustration of the method.
A structural basis for ionic diffusion in oxide glasses

Abstract The relationships between the environments of cations in alkali silicates measured by X-ray absorption fine structure (XAFS) and magic angle spinning nuclear magnetic resonance (MASNMR) are considered. Both are consistent with the modified random network for glass structure in which modifiers form channels percolating through the network. It is proposed that the mechanisms determining the distribution of bridging and non-bridging oxygen atoms at the glass transition are the same as those that promote ionic transport at lower temperatures in the glass. In particular the results of XAFS and MASNMR can be used to predict the activation energy for ionic transport and the magnitude of the electrical conductivity. Values of these parameters for alkali disilicates are in good agreement with those measured directly from transport properties.
Amorphous copolyesters based on 1,3/1,4-cyclohexanedimethanol: Synthesis, characterization and properties

Two series of amorphous copolyesters, PETGN and PETGS, were synthesized by the copolymerization of 2,6-naphthalene dicarboxylic acid (NDA) (040%), succinic acid (SA) (0-40%), 1,3/1,4-cyclohexanedimethanol (1,3/1,4-CHDM) (10-50%), ethylene glycol (EG), and terephthalic acid (TPA). The compositions and molecular weights of the copolyesters were determined by H-1 NMR spectroscopy and viscometry, respectively. The thermal behaviors were studied over the entire range of copolymer compositions, using DSC and TGA. The optical characteristics, heat-shrinkable effects and tensile properties of these polymers were also determined. Experimental results indicated that the thermal, optical, tensile, and shrinkage properties of PETGN and PETGS were functions of NDA or SA content. DSC and X-ray analysis demonstrated that both PETGN and PETGS series were amorphous. Incorporating NDA and SA influenced the T-g values of those polymers, from about 37 degrees C for PETG(30)S(40) to 89 degrees C for PETG(30)N(40). Furthermore, the shrinkage of these amorphous copolyesters was more than 40% when the heating temperature was higher than the corresponding T-g. (C) 2008 Wiley Periodicals, Inc.
Essential oil composition of Achillea santolina L. and Achillea biebersteinii Afan. collected in Jordan

The essential oils of Achillea santolina L. and A. biebersteinii Afan. , collected in Jordan, have been studied. The former has never been previously investigated, while the latter evidenced from a literature survey a high variability. The two oils were quite different: A. santolina oil showed mainly 1,8-cineole, camphor, 4-terpineol and trans-carveol, while A. biebersteinii oil contained cis-ascaridole, p-cymene, carvenone oxide and camphor among its principal constituents. This is the second report of carvenone oxide from a natural source. Copyright © 2002 John Wiley & Sons, Ltd.
Comprehensive study on the removal of chromate from aqueous solution by synthesized kaolin supported nanoscale zero-valent iron

AbstractA removal mechanism of chromate (Cr) by synthesized kaolin supported nanoscale zero-valent iron (K-nZVI) from aqueous solution is demonstrated. Parameters which potentially influenced the functioning of K-nZVI have been investigated as well. Based on the scanning electron microscopy, Fourier transform infrared spectroscopes, X-ray crystal powder diffraction and X-ray photoelectron spectroscopy identifications, we confirm that amorphous Fe0 core/FexOy shell nZVI can be successfully loaded into the pores and cracks, and onto the surface of kaolin. Removal efficiency of Cr by K-nZVI decreased with increasing initial pH and Cr(VI) concentration, but increased while K-nZVI dosage increased. Humic acid and phosphate had similar dual impacts on chromium removal by K-nZVI, and the inhibitory effect was obvious at high concentrations in spite of their different reaction mechanisms. In contrast, high concentrations of sulfate and nitrate could advance the chromium removal. Adsorption isotherms indicate that.
Analysis of biosolids equilibrium moisture and drying

Provided that moisture is well managed, biosolids, or digested wastewater sludge, can be converted from an expense to a resource of renewable energy. Toward this goal, the equilibrium moisture content (EMC) for biosolids was determined experimentally in the ranges of 10–84% relative humidity and 30–60°C. Several well‐known models were used to fit the EMC data, including a new one that considers mixing and swelling effects on water activity. The rate of drying was measured as a function of temperature and gas velocity in a 3‐inch fluidized bed. The drying rate increased with temperature and was independent of gas velocity. In all cases, the drying rate continuously decreased; no period of constant rate was observed. This indicates that the dominant resistance to drying was internal diffusion. © 2009 American Institute of Chemical Engineers Environ Prog, 2009
Pretreatment of distillery wastewater from vitamin C synthesis industry by upflow anaerobic sludge blanket (UASB) reactor.

Feasibility of a 2.3 m3 pilot-scale mesophilic upflow anaerobic sludge blanket (UASB) reactor was evaluated for the treatment of distillery effluent from a fermentation-based vitamin C (Vc) synthesis industry. In the 252-day test period, successful startup was achieved within 100 days using digested sludge. Afterward, the organic loading rate (OLR) was increased gradually from 6 to 11.8 kg COD/m3/day by increasing the influent COD in steps from 5,000 to 9,000 mg/L and by decreasing the hydraulic retention time (HRT) to 10 h. The upflow velocity was maintained at 0.52 m/h. COD removal efficiencies >85% and biogas productivity of 3.2–5.9 m3/mr3/day were obtained. The biogas contained 73% of CH4. The volatile suspended solids/total suspended solids ratio of sludge increased from 0.48 at the beginning to 0.83 by the end of the reactor operation. Similarly, the specific methanogenic activity (SMA) improved from 0.20 to 0.82 gCH4-COD/gVSS ⋅ day. These results indicated that the UASB process is effective and eff.
Fluxes of Nitrous Oxide and Molecular Nitrogen from Irrigated Soils of Catalonia (Spain)

Nitrous oxide (N 2 O) is a gas of environmental concern that can be emitted during nitrification and denitrification. Molecular nitrogen (N 2 ) is the ultimate product of denitrification. The emission of both gases represents an economic loss. This study quantified daily and seasonal N 2 O and N 2 emissions from three benchmark arable soils sown with maize (Zea mays L.) in Catalonia (northeast Spain) during the irrigation season, and identified the major factors and processes determining these emissions. The N 2 O was sampled using the closed chamber method, and N 2 from N 2 O that accumulated with the acetylene inhibition method, simultaneously in the field. At water-filled pore space (WFPS) >70%, losses amounted to 389 g of N 2 O-N ha -1 d -1 from the El Pinell site, 144 g of N 2 O-N ha -1 d -1 from the Barbens site, and 125 g of N 2 O-N ha -1 d -1 from the Bellpuig site. Most of the N was lost through complete denitrification. Up to 640 g of N 2 -N ha -1 d -1 were lost from the El Pinell site, 1438 g of N 2 -N ha -1 d -1 from the Barbens site, and 233 g of N 2 -N ha -1 d -1 from the Bellpuig site. Negative N 2 O and N 2 fluxes were found. Total (N 2 O + N 2 )-N losses represent 13.6% of the N applied at the El Pinell site, 8.6% at the Barbens site, and 1.7% at the Bellpuig site. Denitrification was the main source of emission. Significant N 2 O-N losses due to nitrification were also measured. The potential for gaseous N losses from these soils at <40% WFPS is low (it averaged 0.01 g of N ha -1 d -1 from the three sites).
The absolute structure of tetrakis­(tri­methyl­phosphine)copper(I) di­chloro­copper(I)

The title compound, [Cu(C3H9P4)4][CuCl2], previously reported by Chi et al. [J. Chem. Soc. Dalton Trans. (1992), pp. 3111–3117] has been rerefined with new intensity data. Geometric parameters agree quite well. However, our results are of significantly higher precision. Furthermore, our data indicate a different absolute structure than the one reported by Chi et al. The Cu, Cl atoms and one of the P atoms are located on a threefold rotation axis. As a result, there is just one third of both ions in the asymmetric unit.
Particle Blow-off: A Source of Error in Blunt Dust Samplers

From blunt sampler theory it is possible to predict over-sampling for simple single-orifice, axisymmetric “total dust” samplers (such as the Casella type T13032) arising from particle blow-off from external surfaces. Wind tunnel experiments confirmed the predicted broad trends, revealing the errors in question to be as large as 50% for the sampling of dry dusts under some conditions of practical relevance. The results suggest that the laboratory evaluation of dust samplers in general ought to be carried out using test aerosols whose physical characteristics approximate as closely as possible those expected in practice.
Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

Oxygen electrochemistry has played a key role in developing the foundational understanding of surface electrocatalysis. In this work, we develop a detailed microkinetic model for the oxygen reduction reaction based on density functional theory calculations and molucular dynamics simulations. The developed microkinetic model has a reaction order of 1 in O2 and a 59 mV/dec Tafel slope in the potential range where the Pt(111) surface is dominated by OH adsorption. Using calculated scaling and Bronsted–Evans–Polanyi relations, we extend this analysis to calculate the activity on materials with a varying OH binding energy. We demonstrate the existence of a kinetic activity volcano which is in close agreement with the thermodynamic activity volcano derived earlier. Both of these analyses identify an activity optimum around 0.1 eV weaker binding of OH relative to Pt(111). The predictions of the kinetic activity volcano are in close agreement with several RDE experiments on metals and Pt alloys. On the basis of r.
psi elliptic and triangular flow in Pb-Pb collisions at root s ( NN ) = 5 . 02 TeV

The inclusive J/ψ elliptic (v2) and triangular (v3) flow coefficients measured at forward rapidity (2.5 < y < 4) and the v2 measured at midrapidity (|y| < 0.9) in Pb-Pb collisions at √ sNN = 5.02 TeV using the ALICE detector at the LHC are reported. The entire Pb-Pb data sample collected during Run 2 is employed, amounting to an integrated luminosity of 750μb−1 at forward rapidity and 93μb−1 at midrapidity. The results are obtained using the scalar product method and are reported as a function of transverse momentum pT and collision centrality. At midrapidity, the J/ψ v2 is in agreement with the forward rapidity measurement. The centrality averaged results indicate a positive J/ψ v3 with a significance of more than 5σ at forward rapidity in the pT range 2 < pT < 5 GeV/c. The forward rapidity v2, v3, and v3/v2 results at low and intermediate pT (pT . 8 GeV/c) exhibit a mass hierarchy when compared to pions and D mesons, while converging into a species-independent curve at higher pT. At low and intermediate pT, the results could be interpreted in terms of a later thermalization of charm quarks compared to light quarks, while at high pT, path-length dependent effects seem to dominate. The J/ψ v2 measurements are further compared to a microscopic transport model calculation. Using a simplified extension of the quark scaling approach involving both light and charm quark flow components, it is shown that the D-meson vn measurements can be described based on those for charged pions and J/ψ flow.
Ozone–isoprene reactions: Product formation and aerosol potential

Dark-phase experiments between isoprene and O3 are discussed. UNC outdoor chamber experiments have shown that in high-concentration systems of isoprene and O3 (5 ppm C and 1 ppm) approximately 75% of the reacted carbon can be observed in the product formation of HCHO, CO, methacrolein, methylvinylketone, methylglyoxal, acetaldehyde, and propylene. Mechanisms were developed which gave reasonable fits to dark-phase chamber experiments of MACR, MVK, isoprene, and O3. Experimental data and modeling results were used to generate O3 rates of attack on MVK and MACR. An isoprene–O3 rate of 1.67 × 10−2 ppm−1·min−1 was used and is consistent with other rates reported in the literature. Dark isoprene–O3 systems appear to form homogeneously nucleated aerosol. Most of these particles appear and remain at diameters well below the optical cutoff region (0.3–0.5 μm), as opposed to the particles from similar α-pinene–O3 systems, which also form at smaller sizes but then grow into the optical size range (0.5 μm). Lower concentrations of α-pinene and O3 (0.2 ppm C and 0.12 ppm) still generated substantial aerosol, but by comparison, rapid CN nucleation was not observed during a similar side-by-side system of isoprene and O3.
Why do Physicists Love Charge-Transfer Salts?

Abstract I describe some of the phenomena encountered in charge-transfer salts that make them very attractive for condensed-matter physicists. These materials exhibit many interesting electronic properties, including reduced dimensionality, strong electron–electron and electron–phonon interactions and the proximity of antiferromagnetism, insulator states and superconductivity. A wide variety of low-temperature groundstates have been observed in the salts; frequently, one is able to move between these states by applying magnetic field, temperature, pressure or “chemical pressure”. In spite of this complex behavior, the charge-transfer salts possess very simple electronic bandstructure which it is often possible to measure in great detail. Hence, one can use the salts as “model systems” in which tractable theoretical calculations for phenomena such as superconductivity are compared directly with experiment.
Inertial and buoyancy effects on horizontal flow of elongated bubbles in circular channels

The effects of gravity and inertia on the liquid ﬁlm thickness surrounding elongated bubble ﬂow in a horizontal tube of circular cross-section are studied through numerical simulations. At low Reynolds and Bond numbers, the inertial and buoyancy effects are negligible and the liquid ﬁlm thickness at the tube wall is a function of the Capillary number only; if tube diameter is increased to the millimetre scale, however, buoyancy forces become signiﬁcant. Simulations are performed with OpenFOAM (version 1606) and the built in Volume-of-Fluid method for a range of Reynolds, Bond and Capillary numbers, namely Re = 1 − 1000 , Bo = 0 . 05 − 0 . 42 and Ca = 0 . 02 − 0 . 09 respectively. Two-dimensional simulations capture asymmetry of the liquid ﬁlm thickness due to gravitational effects, but do not capture bubble inclination relative to the channel centreline, as has been demonstrated experimentally in the literature. Three-dimensional simulations capture the transverse ﬂow of the ﬁlm as it drains from the top to the bottom of the tube, and are thus able to demonstrate bubble inclination. Further simulations that introduce phase change to the elongated bubble model are underway, aiming to investigate boiling ﬂows, with experiments being performed for comparison and validation.
Multi-Grand, Multi-Canonical, Flat Histogram, Monte Carlo Simulations for the Square Well Fluid

approved: David Roundy Multi-Grand, Multi-Canonical Flat Histogram Simulations for the Square Well Fluid. Currently multi-canonical, and grand canonical Monte Carlo simulations exist, but do not always give all of the necessary information of the system. When using a 1-D (only changing in one variable) broad histogram Monte Carlo method a user would need to run a range of simulations in order to get the data necessary for generating the equation of state. In our multi-grand, multicanonical approach we demonstrate the effectiveness of a “2-D” broad histogram simulation. The M-G, M-C Monte Carlo allows for both a change in the energy and the number of atoms in a square well fluid. The multiple degrees of change allow for the calculation of the entire equation of state from only one simulation.
Effects of SMP on Biofilm Reactor Performance

The extended steady state biofilm model is utilized to predict the performance of a completely mixed biofilm reactor in terms of substrate removal, biofilm accumulation, soluble microbial products (SMP) formation, and total soluble organic carbon (SOC) removal. Three important aspects of how SMP formation affects the effluent quality from biofilm reactors for the concentration range of practical interest are relevant to advanced wastewater treatment, groundwater recharge, and drinking water treatment. First, for intermediate surface loadings, the concentrations of the effluent SMP and SOC are directly proportional to the influent substrate concentration, and SMP comprises the majority of effluent SOC. However, for high and very low loading, residual substrate is most of the effluent SOC. Second, SMP formation and SOC removal by the steady state biofilms are affected by both substrate utilization kinetics and reactor conditions. Changing reactor conditions, such as hydraulic detention time, affect the actual surface loading, while kinetic parameters, such as biofilm loss rate and cell yield, control the minimum achievable substrate concentration (S\dm\di\dn) and the minimum flux to give a deep biofilm (J\dd\de\de\dp). Third, in order to achieve the best treatment efficiency in terms of organic carbon (C), the biofilm reactor must maintain an optimum biofilm thickness that gives the lowest SOC concentration. At least in concept, biofilm thickness can be controlled by manipulating the shear loss component of the biofilm loss rate.