Miracle-dz/UniFAR-FTUs huggingface dataset:
Pharmacologically active polymers, 7. Cyclophosphamide‐ and steroidhormone containing polymers as potential anticancer compounds

A number of acrylic and methacrylic esters and N-vinyl monomers of cyclophosphamide- and testosterone derivatives were prepared. The monomers were homopolymerized and copolymerized with hydrophilic monomers to yield watersoluble products. Es wurden Acryl-, Methacryl- und N-Vinyl-Derivate von Cyclophosphamid- und Testosteron-Derivaten synthetisiert. Die Monomeren wurden homopolymerisiert und mit hydrophilen Monomeren zu wasserloslichen Produkten copolymerisiert.
Control of NO/sub x/ by positive and negative pulsed corona discharges

The pulse-induced plasma chemical process (PPCP) is a novel means of processing with great potential in various applications including the removal of NO, SO/sub 2/, HCl, and Hg vapor and other gaseous pollutants from combustion gases, the composition of gaseous and solid substances, the production of ultrafine particulate materials, the treatment of surfaces, etc. An investigation of the DENOX and DESOX of combustion gas by PPCP was conducted, confirming that DENOX is possible by both positive and negative pulsings and DESOX only by positive pulsing. NO is oxidized by PPCP to NO/sub 2/, which is removed again by PPCP. The reaction speed for PPCP with positive pulsing is more than one order of magnitude higher than that with negative pulsing applicable to electrostatic precipitators. The reaction speed is greatly enhanced by raising the peak field intensity, which requires the use of a very sharp pulses. The speed is also enhanced by raising pulse frequency, lowering the gas temperature, and using sharp corona wires. The oxidation of NO and removal of NO/sub 2/ can proceed without O/sub 2/ and moisture, but is greatly enhanced by them. The addition of NH/sub 3/ also enhances NO/sub 2/ removal, possibly by its NO/sub 2/-scavenging effect from the gas phase, while it does not enhance NO oxidation. The combination of PPCP with the electron-beam DENOX and DESOX does not produce a nonlinear enhancing effect beyond the independent effect of PPCP alone. >
Germanium-single-wall carbon nanotube anodes for lithium ion batteries

High-capacity thin-film germanium was coupled with free-standing single-wall carbon nanotube (SWCNT) current collectors as a novel lithium ion battery anode. A series of Ge-SWCNT compositions were fabricated and characterized by scanning electron microscopy and Raman spectroscopy. The lithium ion storage capacities of the anodes were measured to be proportional to the Ge weight loading, with a 40 wt% Ge-SWCNT electrode measuring 800 mAh/g. Full batteries comprising a Ge-SWCNT anode in concert with a LiCoO_2 cathode have demonstrated a nominal voltage of 3.35 V and anode energy densities 3× the conventional graphite-based value. The higher observed energy density for Ge-SWCNT anodes has been used to calculate the relative improvement in full battery performance when capacity matched with conventional cathodes (e.g., LiCoO_2, LiNiCoAlO_2, and LiFePO_4). The results show a >50% increase in both specific and volumetric energy densities, with values approaching 275 Wh/kg and 700 Wh/L.
MODELING OXIDATION AND HYDROLYSIS REACTIONS IN SUPERCRITICAL WATER—FREE RADICAL ELEMENTARY REACTION NETWORKS AND THEIR APPLICATIONS

ABSTRACT From the beginning of supercritical water oxidation (SCWO) research in the early 1980s, mathematical models have been used to correlate, predict, and explain experimental reaction kinetic data. Initially, these were simple global rate laws, involving only a single overall reaction or a few reactions, each with its own arbitrary rate law. As computational power increased and the library of elementary reactions from the combustion literature grew, it became feasible to construct elementary reaction rate models, which are a more accurate means of representing the SCWO process. Early efforts to construct elementary reaction rate models resulted in very poor agreement with experimental data unless model parameters were adjusted to optimize the fit. However, today with considerably more computing power and a more robust collection of elementary rate parameters from the combustion literature, rate predictions in the relatively low-temperature, high-pressure SCWO environment are more effective and accurate. These enhancements make it possible to build models that hold the predictive capacity to help guide experimental design and gain a greater mechanistic understanding. This paper details current best practices for the construction of these elementary reaction rate models, including selection of a base model from the combustion literature, identification of possible intermediate compounds, and estimation of unknown rate constants by ab initio calculations or analogy to known chemistry. A set of model compounds was selected to illustrate rate modeling approaches for both oxidation and hydrolysis pathways.
Mechanical and Physical Properties of Cassava Starch-Gelatin Composite Films

The effect of gelatin concentrations on the mechanical properties and solubility of cassava starch-based films containing glycerol was studied. Increasing concentration of gelatin increased tensile strength but reduced elongation at break and water solubility of the composite films. Films containing 30% gelatin showed the highest tensile strength. Fourier transform infrared spectroscopy (FT-IR) spectra indicated intermolecular interactions between cassava starch and gelatin in composite films. The X-ray diffraction (XRD) technique demonstrated pseudo-crystalline regions in the cassava starch-gelatin composite films, and it is supposed that the interactions between cassava starch and gelatin were shown in the diffractograms by shifts in scattering angles. The differential scanning calorimetry (DSC) thermograms and scanning electron microscopy (SEM) micrographs confirmed homogeneity of cassava starch-gelatin films. Cassava starch-gelatin composite films have the potential to replace conventional packaging, and the films developed in this work are suggested to be suitable for low-moisture food and pharmaceutical products.
Phenolic composition of European cranberrybush (Viburnum opulus L.) berries and astringency removal of its commercial juice

Summary Phenolic composition of the European cranberrybush (ECB) (Viburnum opulus L.) juice was determined using high-performance liquid chromatography. The juice contained 2037 mg kg−1 chlorogenic acid, which was 54% of total phenolics, and several other phenolics such as (+)-catechin, (−)-epicatechin, cyanidin-3-glucoside, cyanidin-3-rutinoside and six different glucosides of quercetin. Because of its strong astringent taste, the juices were treated with various doses of two different types of activated carbons (Granucol Bi and Granucol Ge) in order to remove phenolic compounds. Results revealed that both types of activated carbons were equally effective on astringency removal (P < 0.01). A 20–30% reduction in total phenolics was achieved by application of 2.0–3.0 g L−1 activated carbon which also removed unpleasant taste and odour.
Calcium carbonate deposit formation under isothermal conditions

On a etudie la formation de tartre de carbonate de calcium sur la paroi d'un tube dans un systeme a ecoulement direct dans des conditions isothermes. Les effets du taux de sursaturation, du debit et de la temperature du liquide sur le depot sont analyses. Pour les taux de sursaturation relativement faibles (entre 3,5 et 8), les taux de depot tendent a diminuer avec l'augmentation de la sursaturation. Pour les sursaturations de fluide elevees par rapport au carbonate de calcium, les taux de depot restent a peu pres constants mais ils sont fortement influences par la vitesse du fluide. Cette dependance de la vitesse de depot par rapport au debit du fluide suggere un processus regi par le transfert de matiere.
Rate-based modeling of reactive absorption of CO2 and H2S into aqueous methyldiethanolamine

A general framework was developed to model the transport processes that take place during reactive absorption when both rate- and equilibrium-controlled reactions occur in the liquid phase. This framework was applied to the selective absorption of H2S from fuel gas containing CO2 using aqueous methyldiethanolamine. A rate-based distillation column module was used for the column integration. The Maxwell−Stefan and enhancement factor theories were utilized. In packed columns, CO2 absorption is controlled by diffusion with fast chemical reactions; in trayed columns it is controlled primarily by physical absorption. Gas−film resistance is never significant for CO2 absorption. For H2S absorption, gas− and liquid−film resistances are important, and diffusion of bisulfide controls the liquid−film resistance. Heat effects produce temperature bulges that can cause equilibrium “pinches” at the maximum temperature. This phenomenon gives an optimum packing height for the H2S removal. Trayed columns are more selective.
Amphiphilic thermoset elastomers from metal‐free, click crosslinking of PEG‐grafted silicone surfactants

The hydrophobicity of silicone elastomers can compromise their utility in some biomaterials applications. Few effective processes exist to introduce hydrophilic groups onto a polysiloxane backbone and subsequently crosslink the material into elastomers. This problem can be overcome through the utilization of metal-free click reactions between azidoalkylsilicones and alkynyl-modified silicones and/or PEGs to both functionalize and crosslink silicone elastomers. Alkynyl-functional PEG was clicked onto a fraction of the available azido groups of a functional polysiloxane, yielding azido reactive PDMS-g-PEG rake surfactants. The reactive polymers were then used to crosslink alkynyl-terminated PDMS of different molecular weights. Using simple starting materials, this generic yet versatile method permits the preparation and characterization of a library of amphiphilic thermoset elastomers that vary in their composition, crosslink density, elasticity, hydrogel formation, and wettability. An appropriate balance of PEG length and crosslink density leads to a permanently highly wettable silicone elastomer that demonstrated very low levels of protein adsorption. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 1082–1093
Self-assembly and characterization of small and monodisperse dye nanospheres in a protein cage

Phthalocyanines (Pc) are dyes in widespread use in materials science and nanotechnology, with numerous applications in medicine, photonics, electronics and energy conversion. With the aim to construct biohybrid materials, we here prepared and analyzed the structure of two Pc-loaded virus-like particles (VLP) with diameters of 20 and 28 nm (i.e., T = 1 and T = 3 icosahedral symmetries, respectively). Our cryo-electron microscopy (cryo-EM) studies show an unprecedented, very high level of Pc molecule organization within both VLP. We found that 10 nm diameter nanospheres form inside the T = 1 VLP by self-assembly of supramolecular Pc stacks. Monodisperse, self-assembled organic dye nanospheres were not previously known, and are a consequence of capsid-imposed symmetry and size constraints. The Pc cargo also produces major changes in the protein cage structure and in the mechanical properties of the VLP. Pc-loaded VLP are potential photosensitizer/carrier systems in photodynamic therapy (PDT), for which their mechanical behaviour must be characterized. Many optoelectronic applications of Pc dyes, on the other hand, are dependent on dye organization at the nanoscale level. Our multidisciplinary study thus opens the way towards nanomedical and nanotechnological uses of these functional molecules.
Conduction Characteristics of the Lithium Iodide‐Aluminum Oxide Solid Electrolytes

The conduction characteristics of the polycrystalline lithium iodide containing aluminum oxide were studied. It was found that the incorporation of aluminum oxide substantially increased the conductivity of lithium iodide. Lithium iodide containing 33–45 mole per cent (m/o) aluminum oxide exhibited conductivities in the order of 10−5 ohm−1 cm−1 at 25° ± 2°C. Inasmuch as no substantial amount of aluminum oxide was found soluble in the lithium iodide under the experimental conditions, the increase in conductivity could not be explained by the classical doping mechanism. The electronic conductivity of the lithium iodide‐aluminum oxide solid was negligible compared to the ionic conductivity. Therefore, it is suitable as a solid electrolyte in solid‐state battery systems.
Light controlled solubility change of polymers: Copolymers of N,N‐dimethylacrylamide and 4‐phenylazophenyl acrylate

Copolymers of N,N-dimethylacrylamide (DMA) and 4-phenylazophenyl acrylate (PAPA) have been prepared by free-radical copolymerization in dioxane (DMAP-x). The molecular weights of the copolymers show a strong decrease with increasing azobenzene content due to the retardation effect of the azobenzene group. An analogous decrease in molecular weight was found with a number of polymers of DMA which were polymerized in the presence of the non-polymerizable model 4-phenylazophenyl propionate (PAPP). We were able to induce a lower critical solution temperature (LCST) above a certain content of azobenzene moieties in the copolymers (DMAP-x) in contrast to the good water solubility of poly(DMA). Due to the reversible photoisomerization and the concomitant change in the dipole moment of the azobenzene moieties, the LCST depends not only on the content of azobenzene but also on the degree of isomerization. A difference in the LCST up to 20°C was found for dark adapted polymer solutions (0% Z-isomer) and polymer solutions in the photostationary state (ca. 85% Z-isomer). Within this temperature range the polymer can be precipitated by irradiation with light.
Controlling particle dispersion in a transverse jet by synchronized injection

The dispersion produced by a jet injecting microparticles (or droplets) in a cross stream is controlled by the interaction between injected species and large scale flow structures characteristic of the jet in crossflow system. In a previous work we characterized accurately the dynamics of the particles undergoing dispersion under the action of the shear layer vortices (SLV) which form in the jet shear layer. In this article, we propose a strategy to control and possibly optimize the dispersion of species injected in the cross stream. This strategy is based on injecting particle packets (or puffs) synchronized with the time of formation of the shear layer vortices. The possibility to increase or decrease particle dispersion by synchronized, pulsed injection is explored by identifying the relevant parameters of the particle/flow system; the effectiveness of this strategy is verified by exploring a representative sample of the parameter range. 2008 American Institute of Chemical Engineers AIChE J, 54: 1975–1986, 2008
Ring contraction in a dinuclear zinc(II) complex of a Robson macrocycle

The [2+2] cyclo­condensation reaction between sodium 2,6-di­formyl-4-chloro­phenolate and benzyl­diethyl­enetri­amine, using the sodium template method, followed by transmetal­lation with Zn(CH3COO)2·2H2O, gave an unexpected 18-membered macrocyclic product in which ring contractions have occurred to produce two imidazolidine rings. In the macrocyclic complex, [μ-3,17-di­benzyl-13,27-di­chloro-3,6,9,17,20,23-hexa­aza­penta­cyclo­[23.3. 1.111,15.02,6.016,20]­triaconta-1(29),9,11(30),12,14,23,25,27-octaene-29,30-diolato]­bis­[(acetato-κO)­zinc(II)] ethanol 1.75-solvate 0.25-hydrate, [Zn2(C38H38Cl2N6O2)(CH3COO)2]·1.75C2H6O·0.25H2O, each of the two ZnII ions has a distorted trigonal bipyramidal environment.
Effect of Foliar Application with Potassium Nitrate and Methyl Jasmonate on Growth and Fruit Quality Of Cucumber

A study was carried out to investigate the effect of 3 levels of methyl jasmonate (0.25, 0.5 and o.75) and 2 levels of potassium nitrate (4 and 6 mM) spray on the plant growth and quality parameters of cucumber. The application of methyl jasmonate and potassium nitrate alone or in combination had significant effect on cucumber vegetative growth, yield and its quality. Potassium nitrate application alone or in combination significant increased leaves-NK content, chlorophyll and dry weight. Methyl jasmonate application alone or in combination significant increased fruit quality of cucumber while reduced leaves-NK content, chlorophyll and dry weight. Regarding yield and yield components, a significant increased was observed when plants were spray with 0.25 mM methyl jasmonate +6 mM potassium nitrate. In general, the combination of 0.25 mM methyl jasmonate +6 mM potassium nitrate significantly increased the TSS, yield and vitamin C.
Evidence for a Novel K+ Channel Modulated by α1A-Adrenoceptors in Cardiac Myocytes

Accumulating evidence suggests that steady-state K+ currents modulate excitability and action potential duration, particularly in cardiac cell types with relatively abbreviated action potential plateau phases. Despite representing potential drug targets, at present these currents and their modulation are comparatively poorly characterized. Therefore, we investigated the effects of phenylephrine [PE; an α1-adrenoceptor (α1-AR) agonist] on a sustained outward K+ current in rat ventricular myocytes. Under K+ current-selective conditions at 35°C and whole-cell patch clamp, membrane depolarization elicited transient (It) and steady-state (Iss) outward current components. PE (10 μM) significantly decreased Iss amplitude, without significant effect on It. Preferential modulation of Iss by PE was confirmed by intracellular application of the voltage-gated K+ channel blocker tetraethylammonium, which largely inhibited It without affecting the PE-sensitive current (Iss,PE). Iss,PE had the properties of an outwardly rectifying steady-state K+-selective conductance. Acidification of the external solution or externally applied BaCl2 or quinidine strongly inhibited Iss,PE. However, Iss,PE was not abolished by anandamide, ruthenium red, or zinc, inhibitors of TASK acid-sensitive background K+ channels. Furthermore, the PE-sensitive current was partially inhibited by external administration of high concentrations of tetraethylammonium and 4-aminopyridine, which are voltage-gated K+ channel-blockers. Power spectrum analysis of Iss,PE yielded a large unitary conductance of 78 pS. Iss,PE resulted from PE activation of the α1A-AR subtype, involved a pertussis toxin-insensitive G-protein, and was independent of cytosolic Ca2+. These results collectively demonstrate that α1A-AR activation results in the inhibition of an outwardly rectifying steady-state K+ current with properties distinct from previously characterized cardiac K+ channels.
Application of pulsed power for the removal of nitrogen oxides from polluted air

Nonthermal plasma discharges using fast-rise (<10 ns) and short-duration pulses (<100 ns) are likely to offer promising prospects for the removal of nitrogen oxides from flue gases and diesel engine exhausts. This is because the energy supplied into the discharge is primarily used to produce energetic electrons, which then create radicals such as N, O, and OH, which lead to the removal of nitrogen oxide pollutants.
Phytochemical investigation of the essential oil from the ‘resurrection plant’ Myrothamnus moschatus (Baillon) Niedenzu endemic to Madagascar

The composition of the essential oil hydrodistilled from the aerial parts of the ‘resurrection plant’ Myrothamnus moschatus (Baillon) Niedenzu endemic to Madagascar was investigated for the first time by gas chromatography (GC/flame ionization detector and GC/mass spectrometry). Forty components were identified in the oil, representing 98.2–98.6% of the total composition. The oil composition was dominated by oxygenated monoterpenes (73.5–75.0%), with trans-pinocarveol (35.6–36.3%) and pinocarvone (19.8–20.0%) as the most representative. Other components occurring in significant amounts were β-selinene (8.5%) and perillyl acetate (6.0–12.7%). No significant differences were detected in the major volatiles between the two different biological forms (flowering period and dry season) in which the plant naturally occurs.
Comparison of methods for soil microbial-population and biomass studies

A comparison was made of 15 different techniques which are used in assessing soil microbial populations and/or biomasses. These include direct observations (fungal standing crop, fluorescein diacetate active mycelia, acridine orange stained bacteria), cultural methods (bacterial plate counts), physiological methods (total microbial, bacterial and fungal biomasses, O2-uptake), soil enzyme analyses (dehydrogenase, catalase, alkaline and acid phosphatase, protease, amylase), and ATP-analyses. The various techniques were applied to six soils known to have different microbial characteristics. The results are discussed with respect to the convertability of counts and measurements into microbial biomasses, the variability of the techniques, the correlations within comparable groups of methods, and the practical limitations in application of individual methods to different soils. (Less)
Electrostatic interactions between charged defects in supercells

Most theoretical calculations for point defects employ the supercell approach. The supercell consists of a few dozen or 100 atoms of the bulk material with a single defect, and is subject to periodic boundary conditions. However, the large density and periodic arrangement of the defects introduce artifacts. They need to be corrected for to extrapolate to the isolated‐defect limit. This is particularly important for electrostatic interactions between charged defects, which decay only very slowly (asymptotically like L−1) with increasing supercell lattice constant L. In this paper, we summarize the underlying electrostatics in condensed matter. A novel defect scheme is derived from this analysis. It overcomes limitations of previous schemes with respect to applicability, systematic improvement, and formal justification. Good performance is demonstrated for vacancies in diamond and GaAs.