Miracle-dz/UniFAR-FTUs huggingface dataset:
Crystal structure of (1S,2R,4S)-2-bromomethyl-1-azabicyclo[2.2.2]·octan-5-one, C8H12BrNO

C 8 Hi 2 BrNO, orthorhombic, P2\2\2] (No. 19), a = 7.002(1) Ä, b = 7.432(1) Ä, c = 16.762(2) Ä, V = 8 7 2 . 3 Ä 3 , Z = 4, R&(F) = 0.031, wRm(F) = 0.050, T= 300 K. Source of material Methanesulfonyl chloride (0.39 ml, 5.0 mmol) was added to ( lS ,2Ä,4S)-2-hydroxymethyl l -azabicyc lo[2 . 2 . 2]oc tan-5-one (600 mg, 3.9 mmol) and Et3N (1.08 ml, 7.7 mmol) in absolute C H 2 C I 2 (10 ml) at 273 K. The reaction mixture was stirred for 10 h at room temperature, diluted with C H 2 C I 2 and extracted with saturated aqueous NaHC03. The organic layer was dried, the solvent evaporated and the crude product (83 %,748 mg,3 .21 mmol) dissolved in abs. dioxan (5 ml). Powdered lithium bromide (838 mg, 9.64 mmol, 3.0 eq) was added and the mixture was refluxed for 24 h at 383 K. After addition of saturated aqueous NaHCC>3 the aqueous layer was extracted with C H 2 C I 2 , and the combined organic layer dried (MgSCU) and evaporated. Purification by chromatography (EtOAc / MeOH 20:1) furnished the desired brominated ketone which was recrystallized f rom M T B E / acetone. Experimental details Completeness of Laue data set in class mmm 100%, but Friedel pairs kept separate in the refinement. The empirical absorption corerection was based on a function of the mean intensity of the imaging plate versus angle φ improving the R i n t f rom 0.201 to 0.076. A spherical absorption correction with μ-r = 0.34 was applied too. The Flack parameter was found to be -0 . 01(2) . Discussion Substituted quinuclidines possess interesting and diverse pharmacological activities as the quinuclidine nucleus has been found to be a good mimic for the quaternary nitrogen in acetylcholine [1], The synthetic methods most frequently used for the preparation of quinuclidine-based pharmaceutical lead structures have started f rom quinuclidin-3-one [2, 3]. In the course of our investigations on the synthesis of chiral quinuclidinone analogs the title compound has been prepared f r o m Quincor id ine® [4] in enantiopure form following an eight step pathway [5]. Because of their low molecular weight and their compact azabicyclic structure quincoridine-derivatives are of general interest [6,7]. Oxidative degradation of the vinylic side chain of quincoridine was carried out by double bond shift, 1,2-dihydroxylation and subsequent diol cleavage. O-Mesylat ion of resulting (15,2/f,4S)2-hydroxymethyl-l-azabicyclo[2.2. 2]octan-5-one followed by LiBr-promoted SN2 displacement furnished the desired γ-amino δ-bromo ketone of which we present the crystal structure. (15 ,2 i f ,45) -2-Bromomethy l l -azab icyc lo[2 . 2 . 2 ] -oc tan-5-one contains a prochiral carbonyl group and three stereogenic centres including the chiral 5-configurated bridgehead nitrogen. The analysis of N,C-bond angles shows a less developed pyramidalization of the bridgehead nitrogen than in 10,11-didehydroquincorine and -quincoridine [8, 9, 10]. Table 1. Data collection and handling.
Middle East and North Africa (MENA): Globalization and the Role of Culture

: The Middle East and North Africa (MENA) comprises 18 countries, including the Arab countries, North Africa, and Iran. With a total population of 432 million in 2007. Demographers expect the population to increase to 700 million by 2050 [60]. The World Bank’s (2012) projection for population growth was 600 million by 2025. MENA serves as an international focal point attracting foreign companies by offering opportunities for new business relationships [8][39][69]. The selected nations are the largest countries in the region by demographic and economic size and share the same or similar cultures. The MENA region as a whole contains two-thirds of the world petroleum reserves; however, multiple challenges besiege the region including political instability, social tensions, and an increase in population size [50][60]. Increased interconnectedness and interdependence of people and countries are bringing additional change in a new form of economic diffusion and social practices [71]. The new form of globalization is shaping the MENA into a new competitive global marketplace [12][39][50]. Dubai option Europe, and relationship The country an organized infrastructure employment in remarkable trade and industry Planners Dubai 2012, Dubai
Complexation of Gas-Phase Metal Ions with Furan: Experimental and Quantum Chemical Binding Energies

Binding of metal ions to furan in the gas phase to form M+(furan) complexes was studied by radiative association kinetics (RAK) in the Fourier transform ion cyclotron resonance (FT-ICR) spectrometer, and by density functional theory (DFT) calculations of the structures and binding energies. Three main-group metals and the first-row transition metal series were included. Binding energies were compared with previous studies of cation-π binding to the aromatic π face involving benzene and pyrrole ligands. It was found that furan is a somewhat weaker π-binding ligand than benzene for all of the metal ions (by an amount of the order of 5 kcal mol-1), in contrast to pyrrole, which is stronger than benzene in most cases. This was rationalized as a largely electrostatic effect. Furan presents the competing possibility of metal-ion binding to the oxygen, but it was found that the oxygen binding site has lower affinity than the π site for all metal ions. The preference for the π site is of the order of 6 kcal mol-1.
COMBINED EFFECT OF GLUCONOACETOBACTER DIAZOTROPHICUS AND AM FUNGI IN RAISING SUGARCANE SEEDLINGS UNDER SSI TECHNOLOGY

The experiment was conducted at Sugarcane Research Station, Cuddalore during January 2012, with the view to study the effect of bioinoculants viz., Gluconoacetobacter diazotrophicus, and AM fungi on the growth of chip bud seedlings and also to standardize the dose of bioinoculants to be added to the rooting medium under Sustainable Sugarcane Initiative (SSI) technology. The treatment comprises of different combinations of cocopeat, vermicompost and micronutrient mixture were studied as rooting medium for raising the chip bud seedlings along with the different concentrations of bioinoculants. The results revealed that the seedlings raised with cocopeat, vermicompost and 2% micronutrient mixture in combination with 1% AM fungi + 0.1% G. diazotrophicus as the rooting medium recorded the highest germination percentage of 98% and the biometric observations viz., root length (25.12 cm), shoot length (63.67 cm), stem girth (1.2 cm) and number of leaves (5.53) are also highly significant. This is the pioneer work in studying the performance of nitrogen fixers and phosphate mobilizers on the growth of chip bud seedlings that provides the evidence that the bioinoculants has encouraging effect on the growth of chip bud seedlings.
Armazenamento de goiabas 'Paluma' sob refrigeração e em condição ambiente, com e sem tratamento com cera de carnaúba

The objective of this study was to evaluate the effect of carnauba wax Premium citrus® on the shelf-life and quality of guavas 'Paluma', storage in a chamber with controlled temperature and storage at environmental conditions, for twelve days. The characteristics available were the fresh weight loss, total rottenness percentage, soluble solids content, tritable acidity, ascorbic acid content, and total chlorophyll of the peel and firmness of the pulp. Coatings with waxes decrease the fresh weight loss and degradation of chlorophyll of the guavas, however, its application applied to shelf life only to fruit storage at environmental conditions.
TiO2-Photocatalyzed Oxidative Degradation of CH3CN, CH3OH, C2HCl3, and CH2Cl2Supplied as Vapors and in Aqueous Solution under Similar Conditions

Acetonitrile (CH3CN), methanol (CH3OH), trichloroethylene (C2HCl3, TCE), and methylene chloride (CH2Cl2) were degraded in stirred batch reactors in the presence of O2 at room temperature over films of pristine P-25 TiO2 under irradiation centered at 360 nm. Molarities of organics, activities of O2, irradiation flux, deployment of catalyst, and reactor configuration were matched for vaporized and aqueous organics. The dependence of initial rates and the photoefficiencies of removal on concentrations of reactants and photon flux were measured. Identities and rates of formation and decay of some intermediates were determined. Langmuir coefficients were determined for dark adsorption of the organic vapors on films of P-25 in the presence of dry and water-saturated air. Surface concentrations in equilibrium with aqueous solutions in the dark were calculated with the aid of Henry's law constants from the Langmuir coefficients of the water-saturated vapors. Initial rates of removal of all four compounds from the.
Li2MnO3: a rare red-coloured manganese(IV) oxide exhibiting tunable red–yellow–green emission

An experimental assessment of Li2MnO3 has been conducted, in conjunction with related Mn(IV) oxides, to investigate its red colour and photoluminescence. Optical absorption spectra revealed strong band gap absorption, with a sharp edge at ∼610 nm and a transparent region between ∼610 and ∼650 nm, giving rise to the red colour of this compound. Octahedral Mn(IV) ligand field transitions have been observed in the excitation spectra of Li2MnO3, corresponding both to Mn(IV) at ideal sites and displaced in Li sites in the rock salt-based layered structure of Li2MnO3. Optical excitation at ligand field transition energies produces tunable emission in the red–yellow–green region, rendering Li2MnO3 a unique Mn(IV) oxide. The honeycomb-ordered [LiMn6] units in its structure are probably the origin of both the absorption and the photoluminescent properties of Li2MnO3.
A simulation method to analyze chemo‐mechanical behavior of swelling‐induced shape‐memory polymer in response to solvent

A network of thermally responsive shape-memory polymers (SMPs) could imbibe a quantity of solvent molecules to swell, and subsequently induces a chemical potential change in polymer. When an equilibrium is reached between the mechanical load and the chemical potential of polymer network and solvent, the SMP polymer usually swells with a field of inhomogeneous and anisotropic deformation, which is considered to be equivalent to a hyperelastic field. We implement this theory in the free-energy function equation, and analyze examples of swelling-induced deformation and shape recovery behavior. This work may provide a powerful tool to study complex swelling-induced shape-memory behavior of SMPs in response to the immersing solvents. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Effects of a magnetic field applied during electroplating on the texture and magnetic properties of Ni nanowire arrays

Ni nanowire arrays were prepared by electroplating using anodic aluminum oxide templates, and a magnetic field was applied during the electroplating process. The effects of an applied magnetic field on the texture and magnetic properties of the Ni nanowire arrays were studied. The results show that the (110) texture is formed in the nanowires prepared in different magnetic fields. However, the applied magnetic field during electroplating can affect the texture degree, and there exists a suitable magnetic field for small diffusion degree of the (110) texture. On the basis of texture characterization, the effects of applied magnetic field on the magnetic properties of Ni nanowire arrays are discussed.
Interactions between Social Media and E-service Quality of Online Travel Agencies in Nigeria

iii ÖZ . iv DEDICATION . v ACKNOWLEDGEMENT . vi LIST OF TABLES . ix INTRODUCTION . 1 1.1 Background of Study . 1 1.2 Statement of Problem . 2 1.3 Research Question and Purpose . 3 LITERATURE REVIEW . 5 2.1 Service Quality . 5 2.2 E-Service Quality . 7 2.3 Quality-Value-Loyalty Chain . 10 2.4 Online Travel Agencies . 11 2.5 Social Media . 13 METHODOLOGY . 16 3.1 Research Hypothesis . 16 3.2 Research Method . 22 3.3 Design of Questionnaire . 22 FINDINGS AND DATA ANALYSIS . 25 4.1 Demographic Profile of Respondents . 25 4.2 Evaluation and Reliability of Scales . 27 4.4 Correlation Analysis . 29
The production of glycollate during photosynthesis in Chlorella

Blackman (1905) deduced from his study of the effect of external factors on the rate of photosynthesis that photosynthesis must include both photochemical and thermochemical processes. Later it appeared probable that the fixation of carbon dioxide was a thermochemical process driven in the direction of the formation of reduced carbon compounds by reaction with some product of the photochemical process. Work with radioactive carbon isotopes has confirmed this viewpoint. Calvin and his colleagues (Bassham & Calvin 1957) utilized the radioactive isotope of carbon, carbon-14. In the first type of experiment the percentage radioactivity in any one compound as a fraction of the total activity fixed was measured. By extrapolation it was possible to estimate which compound would have 100% of the radioactivity immediately after the addition of tracer and was therefore the first intermediate formed. It was found to be phosphoglyceric acid (PGA). From the shape of the time course of the percentage activity for individual compounds it was possible
Viscosity of Surfactant-Polymer Solutions

Viscosity effects occurring in aqueous solutions containing a combination of surfactants, polymers, and salts are of considerable interest in enhanced oil recovery operations. High molecular weight polymers, which normally are employed to improve sweep efficiency, lose much of their viscosity because of mechanical degradation and other adverse conditions in the reservoir. The mixing of the surfactant slug with the polymer slug in micellar flooding may lead to phase instability and low recovery efficiency. The formation of surfactant-polymer aggregates on the other hand, might have a positive effect on recovery. Such association complexes do not lose their viscosity permanently due to shear as they are quickly rebuilt upon cessation of shear forces. The present work shows that significant viscosity increases can be obtained by combining a petroleum sulfonate surfactant with a low molecular weight polyethylene oxide. 16 references.
4'-bromo-2',3',5',6'-tetrafluorostilbazole : Donor and acceptor site for halogen bonding and π-stacking in one rigid-rod-type molecule

The title compound, a new fluorinated stilbazole-based chromophore combines hydrocarbon (HC) donor and perfluorocarbon (PFC) acceptor sites in one rigid-rod-type conjugated molecule. The bifunctional stilbazole derivative combines several possibilities of weak, medium, and strong intermolecular interactions leading to an attractive crystal packing. The chromophore shows strong π−π stacking behavior in solution, while its crystal structure consists of an infinite unimolecular network involving both interchain π−π stacking and N···Br halogen bonding. The latter Lewis acid−base interactions do not play a dominant role in controlling the solution optical properties. In the solid state, the molecules are aligned in one-dimensional infinite head-to-tail chains as a result of attractive halogen bonding. Adjacent chains are oriented in opposite directions.
Salt reponses of lettuce to salinity. II. Effect of calcium on growth and mineral status

Abstract The effect of Ca2+ on the salt tolerance of two lettuce cultivars (Lactuca sativa L. cv. Calmar and cv. Climax), differing in their salt tolerance, was investigated. The plants were grown in a 0.5 modified Hoagland solution. Treatments of NaCl or NaCl plus CaSO4 (final Na+:Ca2+ ratio approximately 7:1 on a mol m–3 basis) were added to the nutrient solution when the second leaf above the cotyledons appeared. The plants were harvested 20 days after the treatments began. Plant growth was reduced by salinity (0 to 120 mol m–3 NaCl), but addition of supplemental Ca2+ did not affect salt tolerance. The mineral status of the plant, however, was affected by the Ca2+ treatments. The Ca concentrations in both root and shoot, and the Mg concentrations in the shoot were higher than those in the low Ca2+ treatment. High external Ca2+ decreased the absorption of Na. The high Ca2+ treatments did not affect Cl–1 tissue concentrations, nor shoot or root growth. The effect of high Ca2+ concentration on K tissue co.
Effects of alloy and solution chemistry on the fracture of anodic films formed at metastable pitting potentials

Abstract The Taguchi analysis method along with a nanoindentation technique were used to study the effects of alloy chemistry, pH and halide ion concentrations on the mechanical fracture of electrochemically grown passive films formed at a metastable pitting potential. Three austenitic stainless steels, 304L, 316L and 904L, were potentiostatically polarised in hydrochloric acid solutions. The load at film fracture during nanoindentation was primarily dominated by both alloy chemistry and the salt concentration. Passive films mechanically weakened as the ratio of iron to the total metallic atoms increased in the film; an estimate of the applied tensile stress that caused fracture increased from 0.8 GPa to 1·18 GPa as the alloy was changed from 304L to 904L. Increasing the salt concentration present during film growth from 0·01M to 0·2M reduced the applied stress for fracture by a factor of two. Prolonged anodic aging times at 40°C decreased the fracture load of these passive films.
Temperature‐dependent Performances of a Fuel Cell Using a Superacid Zirconia‐doped Nafion Polymer Electrolyte

Sulphated zirconia‐added Nafion membranes were prepared and used as polymer electrolyte separators in H2‐air fuel cells. The cell performances of the composite membrane were compared with those of an unmodified Nafion membrane having the same thickness. The cell response was studied by means of voltage–current dependence, in situ impedance spectroscopy and current interrupt‐based cell resistance. The effect of temperature on the cells behaviour was evaluated. When using the composite membrane as an electrolyte a general enhancement was found, both in terms of power density delivered and ohmic resistance. Moreover, the high‐temperature impedance response of the zirconia‐doped Nafion‐based cell was highly improved, showing a wellcontrolled charge transfer resistance.
Synthesis of phospholipid monolayer membrane functionalized graphene for drug delivery

In this contribution, lipid monolayer membrane functionalized graphene sheets were prepared using a facile method. Interactions between the graphene and different types of liposomes, including charged and neutral, were also investigated. We found that the anionic liposomes could spontaneously self-organize into lipid monolayer membranes, partially covering the surface of graphene sheets. The resultant lipid monolayer functionalized graphene nanomaterials exhibited high stability in aqueous solution and an excellent performance as carrier for loading the anticancer drug, doxorubicin (DOX), with a high loading capacity of 70%. The loaded drug can be released under pH control. 10% and 14% of the bound DOX was released after 54 h at pH 10.0 and 7.0, respectively. Whereas, about 70% of DOX was released after 54 h at pH 5.0.
The Tribological Properties of (n-palmitic acid)-N-quinazolin-4-one Methylester as Additive in Liquid Paraffin

A heterocyclic derivative of (n-palmitic acid)-N-quinazolin-4-one methylester was synthesized and its tribological behavior as an ashless additve without phosphorus and sulphur in liquid paraffin was evaluated using a four-ball tester. On the basis of the experimental results, the novel additive has been found to be quite effective as a potential additive in liquid paraffin. The nature of the film on the rubbed surface was investigated by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS).
Crystal nucleation from aqueous solution

The theories of crystal nucleation from solution and the experimental techniques which have been used to study this phenomenon, are reviewed. A more detailed review of nucleation from aqueous solution follows in which attention is drawn to the two types of nucleation, primary and secondary, which characterise the crystallisation of electrolytes from aqueous solution.
Template-induced polymorphic selectivity: the effects of surface chemistry and solute concentration on carbamazepine crystallisation

Cooling crystallisation of carbamazepine solution in glass vials functionalised with different silane molecules resulted in preferential nucleation of metastable form II or stable form III polymorphs within a definite range of supersaturation. In contrast, the two crystal forms nucleated concomitantly on a control substrate under similar solution conditions.
A method for evaluating microscope objectives to optimize performance of confocal systems

A method for evaluating the performance of microscope objectives on two types of confocal scanning optical microscope is presented. Of these two confocal microscope types, off‐axis beam‐scanning systems are found to require microscope objectives which have been corrected for flatness of field as well as for spherical aberration and astigmatism in order to obtain maximum axial and laterial resolution. In the case of on‐axis specimen‐scanning microscopes, less highly corrected objective lenses (not corrected for flatness of field) may in practice prove to have superior resolving properties.
Oxygen in titanium nitride diffusion barriers

Oxygen has been found to play a dominant role in TiN barrier performance between Si(100) and Al. When TiN is exposed to air prior to Al deposition, interdiffusion of the Si/TiN/Al structure is not observed until heating to a temperature of 560 °C, whereas the barrier fails already below 400 °C when Al is deposited in situ onto TiN.
Following the Dynamics of pH in Endosomes of Live Cells with SERS Nanosensors

The surface enhanced Raman scattering (SERS) spectrum of a reporter molecule attached to gold or silver nanostructures, which is pH-sensitive, can deliver information on the local pH in the environment of the nanostructure. Here, we demonstrate the use of a mobile SERS nanosensor made from gold nanaoaggregates and 4-mercaptobenzoic acid (pMBA) attached as a reporter for monitoring changes in local pH of the cellular compartments of living NIH/3T3 cells. We show that SERS nanosensors enable the dynamics of local pH in individual live cells to be followed at subendosomal resolution in a timeline of cellular processes. This information is of basic interest for a better understanding of a broad range of physiological and metabolic processes as well as for a number of biotechnological applications.
Mechanisms of transition metal interferences in hydride generation atomic absorption spectrometry. Part 4. Influence of acid and tetrahydroborate concentrations on interferences in arsenic and selenium determinations

An increase in the hydrochloric acid concentration from 0.5 to 5 mol l–1 improves the range of interference-free determination for arsenic and selenium in the presence of cobalt, copper or nickel by factors of 5–100. Decreasing the sodium tetrahydroborate(III) concentration from 3 to 0.5%m/V increases the range of interference-free determination for both elements further by factors of 4–50. The only exception is the interference of copper on selenium, which is slightly more pronounced with the less concentrated tetrahydroborate(III) solution. The proposed mechanism is that both in higher acid and with lower tetrahydroborate(III) concentrations the interferent is reduced to a lesser extent to the metal (the interfering species) owing to (i) better solubility of the metal in the more concentrated acid, (ii) the formation of chloro complexes, thus reducing the concentration of free ions, and (iii) a larger percentage of the tetrahydroborate(III) being consumed by the acid. Copper, however, interferes with selenium in the ionic form.