Miracle-dz/UniFAR-FTUs huggingface dataset:
Ash control methods to limit biomass inorganic content and its effect on fast pyrolysis bio-oil stability

This research investigates specific ash control methods to limit inorganic content within biomass prior to fast pyrolysis and effect of specific ash components on fast pyrolysis processing, mass balance yields and bio-oil quality and stability. Inorganic content in miscanthus was naturally reduced over the winter period from June (7.36 wt. %) to February (2.80 wt. %) due to a combination of senescence and natural leaching from rain water. September harvest produced similar mass balance yields, bio-oil quality and stability compared to February harvest (conventional harvest), but nitrogen content in above ground crop was to high (208 kg ha.-1) to maintain sustainable crop production. Deionised water, 1.00% HCl and 0.10% Triton X-100 washes were used to reduce inorganic content of miscanthus. Miscanthus washed with 0.10% Triton X-100 resulted in the highest total liquid yield (76.21 wt. %) and lowest char and reaction water yields (9.77 wt. % and 8.25 wt. % respectively). Concentrations of Triton X-100 were varied to study further effects on mass balance yields and bio-oil stability. All concentrations of Triton X-100 increased total liquid yield and decreased char and reaction water yields compared to untreated miscanthus. In terms of bio-oil stability 1.00% Triton X-100 produced the most stable bio-oil with lowest viscosity index (2.43) and lowest water content index (1.01). Beech wood was impregnated with potassium and phosphorus resulting in lower liquid yields and increased char and gas yields due to their catalytic effect on fast pyrolysis product distribution. Increased potassium and phosphorus concentrations produced less stable bio-oils with viscosity and water content indexes increasing. Fast pyrolysis processing of phosphorus impregnated beech wood was problematic as the reactor bed material agglomerated into large clumps due to char formation within the reactor, affecting fluidisation and heat transfer.
Towards Metformin Prodrugs

The first examples of possible metformin prodrugs have been synthesized and characterized by spectroscopic methods. These five different types of chemically stable prodrugs were prepared from metformin and the corresponding halogenated promoieties. The products from unstable derivatives were also identified and reasons for the rearrangements are discussed.
Size effect on magnetic susceptibility of titanium monoxide nanocrystals

For the first time a magnetic quantum‐size effect is found in paramagnetic titanium monoxide nanocrystals with the sizes down to 30 nm. In situ measurements in the temperature range from 300 to 1200 K showed that the magnetic susceptibility of superstoichiometric titanium monoxide nanocrystals TiOy (y > 1) depends not only on the structural state of the sample, but also on the size of nanocrystals. The data analysis both for the ordered and disordered TiOy showed that the reason for inversely proportional dependence of Van‐Vleck paramagnetism on the size of titanium monoxide nanocrystals is distortion of local symmetry of titanium and oxygen atoms near the nanocrystal surface. Van‐Vleck contribution induced by the atomic‐vacancy disordering in titanium monoxide is proportional to the deviation of the long‐order parameter from its maximal value.
The Investigation of Perchlorate/Iron Phase Mixtures as A Possible Source of Oxygen Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover detected O2 and HCl gas releases from the Rocknest (RN) eolian bedform and the John Klein (JK) and Cumberland (CB) drill hole materials in Gale Crater. Chlorinated hydrocarbons have also been detected by the SAM quadrupole mass spectrometer (QMS) and gas chromatography/mass spectrometer (GCMS). These detections along with the detection of perchlorate (ClO4-) by the Mars Phoenix Lander's Wet Chemistry Laboratory (WCL) suggesting perchlorate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of individual per-chlorates has yet to provide an unequivocal temperature match to the SAM O2 and HCl release data. These detections along with the detection of perchlorate (ClO4-) by the Mars Phoenix Lander's Wet Chemistry Laboratory suggested perchlorate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of pure perchlorates has yet to provide an unequivocal temperature match to the SAM O2 and HCl release data. Analog laboratory analysis of iron mineralogy detected in Gale materials that was physically mixed with Ca- and Mg-perchlorate has been shown to catalyze lower O2 release temperatures and approach some SAM O2 release data. Instead of physical mixtures used in previous work, the work presented here utilized perchlorate solutions added to Fe phases. This technique allowed for perchlorate to come in closer contact with the Fe-phase and may more closely mimic Mars conditions where humidity can increase enough to cause deliquescence of the highly hygroscopic perchlorate phases. The objective of this work is to: 1) Utilize a laboratory SAM analog instrument to evaluate the O2 release temperatures from Mg- and Ca-perchlorates solutions applied to Fephases detetected in Gale Crate; and 2) Determine if perchlorate solutions can provide improved matches with the SAM O2 temperature release profiles.
Chlorophylls and Bacteriochlorophylls: Biochemistry, Biophysics, Functions and Applications

Supplementary material to this book contains the following Adobe-Writer (.pdf) files: an overview of the material, the color coding for the map on the title page), and supporting information for chapter 1, 14, 20, 22 and 30. Some of the files contain further links to materials on this server, in particular is there a collection of structural formulas accessible from the material to chapter 1. Please, click on the respective files for downloading. Any reference should cite the full title of the book.
Mesoscopic Structure of meso-Tetrakis(4-sulfonatophenyl)porphine J-Aggregates

Samples containing J-aggregates formed by the porphyrin meso-tetrakis(4-sulfonatophenyl)porphine (H2TPPS44-) were studied by a combination of elastic (ELS) and dynamic (DLS) light scattering techniques. Aggregation was fostered by lowering the pH and increasing the ionic strength (I; selected experimental conditions: (i) pH = 0.7; (ii) pH = 2.8, I = 0.5 M; (iii) pH = 0.7, I = 2 M). The ELS data suggest the presence of self-similar structures, whose fractal dimension are df = 1.7, 2.13, and 2.09 (for case i, ii, and iii, respectively). The DLS experiments indicate the presence of large (1−1.5 μm)-, medium (100−200 nm)-, and small (3−6 nm)-sized aggregates. An aggregation number (N) ranging between 6 and 32 was calculated for the smaller components, whereas a range of 105 to 106 was found in the case of the large clusters. The aggregation kinetics were followed by the resonance light scattering technique. The average aggregation time and the growth models, as derived from the ELS experiments, are in agreem.
Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings

Crystal nucleation and growth of monodisperse hard-spheres as a function of packing density is studied by collision-driven molecular dynamics simulations. Short-range order in the form of fivefold local symmetry is identified and its dynamical and structural evolution is tracked as the originally amorphous assembly transits to the stable ordered phase. A cluster-based approach shows that hard-sphere configurations having initially a similar average fraction of fivefold and ordered sites can crystallize in completely different patterns both in terms of dynamics and morphology. It is found that at high volume fractions crystallization is significantly delayed in assemblies where sites with fivefold symmetry are abundant. Eventually, once the crystal phase is reached, fivefold symmetry either diminishes or arranges in specific geometric patterns. Such defects are spatially strongly correlated with twinning planes at crystalline boundaries. A detailed analysis is provided on the structural characteristics of the established crystal morphologies.
Origin of the variability of the mechanical properties of silk fibers: 4. Order/crystallinity along silkworm and spider fibers

The poor crystallinity of proteic fibers has fuelled an ongoing debate over their exact organization. We present a full-range Raman comparison of Nephila madagascariensis spider and Bombyx mori silkworm silks that sheds some new light on that matter. On the one hand, a large variability is observed along the fibers in the −200 to 200 cm−1 spectral window, which is sensitive to the long-range order signature of polyamide chains. This questions the validity of previous literature data considering silk fiber as a homogeneous material. On the other hand, the ‘amide I’ band is almost independent of the targeted point, which sets a limit to this widely used structure probe. In-line mapping of the fibers showed that the extension of the ordered zones ranges between 1 and 3 µm. The correlation between the macromechanical behavior (the stress–strain curves) and the nanomechanics (Raman low wavenumber signatures) under controlled tensile strain demonstrates a Prevorsek's type microstructure: the macromolecular chains belong to both ordered and amorphous ‘regions’. Copyright © 2014 John Wiley & Sons, Ltd.
Characterization of (methylcyclopentadienyl)trimethylplatinum and low-temperature organometallic chemical vapor deposition of platinum metal

({eta}{sup 5}-Methylcyclopentadienyl)trimethylplatinum, ({eta}{sup 5}-MeCp)PtMe{sub 3}, 1 (MeCp = CH{sub 3}C{sub 5}H{sub 4}), is synthesized from trimethylplatinum iodide and sodium methylcyclopentadienide by the method of Fritz and Schwarzhans. By using care in the purification of bis(methylcyclopentadiene) from dicyclopentadiene, a sample of 1 is obtained showing a melting point of 29.5-30.0{degree}C and a vapor pressure of 0.053 Torr at 23{degree}C, {sup 1}H and {sup 13}C NMR spectra have been obtained. Coupling constants to the cyclopentadienyl ring carbons are found to differ, Hz: {sup 195}Pt-{sup 13}C{sub Me} = 13.62, while {sup 195}Pt-{sup 13}C{sub H} = 2.82 or 5.34. Five separate resonances are observed for the ring carbon atoms of the MeCp group in the solid ({sup 1}H){sup 13}C NMR. However, only one signal is observed at {minus}73{degree}C or higher for the 3 methyl groups on Pt, indicating a low barrier for rotation of these groups in the solid state. The principal finding, of significance to the solid-state NMR, is the intermolecular contacts of 3.98, 4.55, and 4.94 {angstrom} between closest ring-carbon atoms on independent molecules in adjacent unit cells. These contacts are too close to permit rotation of the MeCp rings. The ring is pentahapto-bonded with almost identical Pt to ring-carbon distances withinmore » the limited accuracy of this determination, {angstrom}, C{sub (Me)}-Pt = 2.266, C{sub (H)}-Pt = 2.260, 2.314, 2.354, and 2.324. For deposition of metallic platinum, a stream of Ar gas at ambient pressure is first saturated with the vapor of 1 at 23{degree}C. This is then conducted into a chamber containing H{sub 2} gas such that the ratio of saturated Ar:H{sub 2} = 4:1. A substrate such as a glass slide or a Si(100) wafer, placed near the outlet of the saturated Ar gas stream and heated to 120{degree}, becomes coated with a film of highly reflective Pt metal. « less
New Spermine Alkaloids from Aphelandra tetragona (VAHL) NEES

18-O-Methylchaenorpine (1a) and iso-18-O-methylchaenorpine (1b) two novel stereoisomeric spermine alkaloids were isolated from the roots of Aphelandra tetragona (VAHL) NEES. Their structures were established by chemical and spectroscopic studies.
Spin-glass behavior and zero-field-cooled exchange bias in a Cr-based antiperovskite compound PdNCr3

We report the synthesis, structure, and magnetic and electrical/thermal transport properties of a Cr-based antiperovskite compound PdNCr3, which crystallizes in MgCNi3-type cubic structure (space group Pmm, No. 221). Interestingly, the spin-glass (SG) behavior, which is confirmed by the corresponding characteristic parameters (the freezing temperature T0 = 61.4(2) K, the dynamical exponent zν = 7.103(3), and the flipping time τ0 = 2.714(2) × 10−11 s), is observed in PdNCr3. Furthermore, the value of the Sommerfeld–Wilson ratio (RW ∼ 1.024(3)) for PdNCr3 is much smaller than those of cluster glass systems (RW > 100) and Kondo cluster glass systems (RW = 20–30), indicating that PdNCr3 is a canonical SG system. Density functional theory calculation shows that the origin of SG in PdNCr3 is attributed to the disordering located N vacancies, which is further confirmed by the measurement of sample PdN0.75Cr3 with more N deficiency. On the other hand, infrequently, the zero-field-cooled exchange bias (ZFC-EB) with an exchange bias field (HE) of about 350 Oe is observed after zero-field cooling from an unmagnetized state in PdNCr3. The values of HE are found to depend strongly on temperature and measuring magnetic field. For PdNCr3, the ferromagnetic unidirectional anisotropy, which is the origin of our ZFC-EB effect, is formed around the ferromagnetic–SG interface isothermally during the initial magnetization process below the blocking temperature. In addition, the training effect of ZFC-EB in PdNCr3 is observed after the zero-field cooling process and has been explained well in terms of the spin configurational relaxation model.
When Does a Molecule Become a Polymer

Using light scattering spectroscopy, we demonstrate that a transition from small molecular behavior to Rouse dynamics in poly(dimethylsiloxane) (PDMS) is a smooth function of molecular weight, Mw. The asymptotic Rouse behavior is achieved when the chain begins to display Gaussian behavior. Surprisingly, the molecular weight dependence of physical properties such as Tg and density also level off at the same molecular weight. A comparison of PDMS and polystyrene (PS) demonstrates that neither molecular weight between entanglement (Me) nor Kuhn segment length lK is important for Tg and density. We speculate that there may be a third important parameter of molecular weight, in addition to Me and lK, which characterizes chain statistics and determines the molecular weight dependence of some physical properties. We introduce the molecular weight of a random step, mR, as such a parameter. mR is estimated to be ∼560 for PDMS and ∼5100 for PS. The molecular weight dependence of Tg in PDMS and PS appears to be the .
Long Term Causality of GDP led Export (GLE) using VECM Model with Reference to India

The aim of this paper is to study the long term and short-term relationship between GDP and Export. Various statistical tests like Johansen Cointegration Test, Vector Error Correction Estimates, Wald test, ARCH Test, and Serial Correlation Test have been performed. The data was collected from the website of the World Bank for a period of 41 years i.e. 1970 to 2011. It was observed that the data shows cointegration between the variables but a long-term association was not found.
LEVELS OF ESSENTIAL AND NON-ESSENTIAL METALS IN ETHIOPIAN OUZO

The levels of selected metals (Na, Ca, Mg, Fe, Zn, Mn, Cr, Co, Cu, Ni, Cd and Pb) in five different brands (Kokeb, National, Liyu Addis, Victoria and Balezaf) of Ethiopian ouzo sampled from different supermarkets in the capital city Addis Ababa were determined. 10 mL of ouzo samples were digested by using 2 mL of HNO 3 and 5 mL of H 2 O 2 for 90 minutes at a temperature of 180°C and the levels of the minerals in the digests analyzed by flame atomic absorption spectrometer. The following results were recorded in mg/L for each five ouzo brands Na (8.529–18.194), Ca (8.330–12.830), Mg (1.345–10.977), Fe (0.942–2.881), Zn (0.642–2.215), Mn (0.015–0.225), Cr (0.054–0.121), Co (0.072–0.130). Cu (0.212 mg/L) was detected only in Kokeb brand while Ni and Cd were below the method detection limit in all the five brands of ouzo analyzed. The toxic metal Pb (0.127–0.507 mg/L) was detected in all the five brands of ouzo samples. The level of Na was the highest in all the brands followed by Ca and Mg respectively except for Kokeb ouzo in which the level of Mg was higher than Ca. Among the trace elements, Zn was found to be highest next to Fe followed by Mn and Co. The levels of metals were higher in Liyu Addis ouzo compared to the other brands. Generally, ouzo contains some nutritionally essential minerals in large quantity so that it can be used as one source of minerals. Non-essential and trace metals were either not detected or found only in smaller quantity. But non-essential metal Pb was detected in all ouzo brands which ranged from 0.13 to 0.51 mg/L. Thus, periodic determinations are advisable in view of the potential medium and long-term risks associated with Pb contamination.
Efficient Channel Estimation for OTFS Systems in the Presence of Fractional Doppler

In this paper, we propose an efficient channel estimation algorithm for orthogonal time frequency space (OTFS) systems in the presence of fractional Doppler. The proposed algorithm first employs the well-known threshold-based estimator to obtain the effective channel response. With the effective channel matrix in hand, we then utilize the linear system to recover the Doppler shifts and channel gains of different resolvable paths. The interference between different paths is also considered. Our simulation results verify that, by selecting appropriate samples in the effective channel matrix, the Doppler shifts and channel gains can be estimated robustly even in poor signal-to-noise ratio (SNR) conditions.
Synthesis and characterization of poly(2-methacryloyloxyethyl phosphorylcholine) onto graphene oxide

The polyzwitterionic brushes comprised of poly(2-methacryloyloxyethyl phosphorylcholine) (pMPC) segments, which are used for surface modification of polymers and biocompatible coatings, were investigated. In this work, reverse surface-initiated atom transfer radical polymerization (RATRP) of zwitterionic 2-methacryloyloxyethyl phosphorylcholine (MPC) is employed to tailor the functionality of graphene oxide (GeneO) in a well-controlled manner and produce a series of well-defined hemocompatible hybrids (termed as GeneO-g-pMPC). The complexes were characterized by FT-IR, XRD, and Raman. Results show that MPC has been coordinated on the graphene oxide sheet. Thermal stability of the nanocomposites in comparison with the neat copolymer is revealed by thermogravimetric analysis and differential thermal analysis. Scanning electron microscopy and transmission electron microscope images of the nanoconposite displays pMPC chains were capable of existing on GeneO sheet by RATRP. The biocompatibility properties were measured by plasma recalcification profile tests, hemolysis test, and MTT assays, respectively. The results confirm that the pMPC grafting can substantially enhance the hemocompatibility of the GeneO particles, and the GeneO-g-pMPC hybrids can be used as biomaterials without causing any hemolysis. With the versatility of RATRP and the excellent hemocompatibility of zwitterionic polymer chains, the GeneO-g-pMPC nanoparticles with desirable blood properties can be readily tailored to cater to various biomedical applications. Copyright © 2013 John Wiley & Sons, Ltd.
Reactivity of Freshly Formed Fe(III) in Synthetic Solutions and (Pore)Waters: Voltammetric Evidence of an Aging Process

We report a laboratory and field study that demonstrates that soluble Fe(III) complexed to organic ligands exists in sediment porewaters. Synthetic solutions of Fe(III) with the ligand Tris were used to simulate organic complexation of Fe(III) in natural waters. Size fractionation using gel filtration chromatography shows that at least three different molecular mass species coexist. The molecular masses of FeIIIx−Trisy complexes increase with time, suggesting that aggregation occurs in solution. Soluble Fe(III) is detected by voltammetry at a mercury drop electrode when it is complexed by an organic ligand. Depending on the age of Fe(III), two voltammetric waves can be observed: at ca. −0.3 V for “freshly” formed Fe(III) and at a more negative potential for “aged” Fe(III). A mathematical model was successfully developed to assess a mechanism for this aging process. This model involves oxidation and adsorption of Fe(II), aggregation, and precipitation of Fe(III) complexes. The species formed are extremely.
DNA immobilization, delivery and cleavage on solid supports

Progress in bio-molecular chemistry, nanotechnology, and surface engineering resulted in the fabrication of nanoscale bio-systems with advanced functionalities. These systems and the related methodologies offer new perspectives for the development of novel bio-related diagnostic tools and gene and/or photodynamic therapy. A key issue in this context is the design and fabrication of “smart surfaces” able to immobilize functional biomolecules and DNA in particular, which can perform a certain function (e.g. hybridize with the target DNA strand) or be delivered or cleaved under the input of external stimuli (chemical, electrochemical, thermal, photochemical, etc.). This review addresses the above points dealing first with immobilization of DNA on various solid substrates using a bottom-up approach and describing later subsequent transport and/or cleavage of DNA using various routes.
Fine structure of the mastigont system in Trichomonas tenax (Zoomastigophorea: Trichomonadida).

Fine structure of the mastigont system in Trichomonas gallinae conforms to that described previously from other species of Trichomonadinae. This pertains to the arrangement of kinetosomes 1-4 as well as to the rootlet filaments associated with the kinetosomes [i.e., kinetosomal filaments 1 to 3, parabasal filaments 1 and 2, the latter of which subtends the parabasal body (Golgi complex)] and the costa. The axostyle and pelta, which overlaps the left ventral surface of the anterior segment of the axostylar capitulum along the peltar-axostylar junction and is subtended by the sigmoid F2 filaments, consists of microtubules about 20 nm in diameter. The terminal segment of the tubular trunk of the axostyle projects beyond the posterior surface of the cell. The parabasal filaments and the costa have similar periodicity of about 42 nm, but differ in their ultrastructure (parabasal filament, Type A; costa, Type B). Hydrogenosomes are distributed throughout the cytoplasm, many of them, "the paracostal granules," aligned along the costa. The undulating membrane is a fin-like fold extending from the dorsal cell surface; it encloses the periodic marginal lamella. The recurrent flagellum is apposed to the membrane close to its external margin. The part of the fold distal to the area of contact with the recurrent flagellum encloses the terminal loop of the marginal lamella; it corresponds to the "accessory fila-
pH effect on the aggregation of silver nanoparticles synthesized by chemical reduction

Silver colloidal nanoparticles were prepared according to the chemical reduction method in which the ascorbic acid was used as a reducing agent and sodium citrate as a stabilizing agent. The absorption spectra of all prepared samples obtained using the UV-Vis spectrophotometer showed a surface plasmon peak at a wavelength of about 420 nm. The size of the silver nanoparticles was controlled by changing the pH values of the reaction system. At high pH, smaller size silver nanoparticles were obtained compared to low pH values. This difference can be attributed to the difference in the reduction rate of the precursor. In addition to the inverse proportionality between the size and the pH value it is clear that increasing the pH value enables us to obtain spherical nanoparticles while at low pH, rods and triangular particle shapes were formed. Poor balance between nucleation and growth processes could be the cause of this result.