Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis and characterization of novel biodegradable unsaturated poly(ester amide)s

A series of novel biodegradable unsaturated poly(ester amide)s (UPEAs) were synthesized through the solution polycondensation of two unsaturated monomers, di-p-nitrophenyl fumarate and L-phenylalanine 2-butene-1,4-diol diester p-toluene sulfonate, and four other saturated monomers in different combinations. The UPEAs were obtained in fairly good yields with N,N-dimethylacetamide (DMA) as the solvent. The number-average and weight-average molecular weights of the UPEAs, measured by gel permeation chromatography, ranged from 10 to 30 kg/mol, they had a rather narrow molecular weight distribution of 1.40. The chemical structures of the novel biodegradable UPEAs were confirmed by both IR and NMR spectra. The UPEAs had higher glass-transition temperatures than saturated PEAs of similar structures, and their glass-transition temperatures were affected more by the C=C double bond located in the diamide part than by those in the diester part. The solubility of the polymers was poor in water but better in DMA and dimethyl sulfoxide. With the availability of these inherent C=C double bonds in the UPEA backbones, these UPEAs have the functionality of C=C bonds, such as photochemical reactivity or the ability to react with or be modified by other bioactive or other environmentally sensitive compounds, and this can easily extend their applications to biomedical and pharmaceutical areas.
Magnetic and Thermal Expansion Properties of Vertically Aligned Fe Nanotubes Fabricated by Electrochemical Method

A simple electrochemical method, which involves the use of anodic alumina membranes (AAMs) as the template, was used to synthesize vertically aligned Fe nanotubes. It is shown that the thickness of the Au cathode electrode on the AAM and the use of a direct electrodeposition technique are the two key factors to realize Fe nanotubes. It is noted that the wall thickness of the Fe nanotubes can be preciously controlled by the deposition time and the nanotubes can change to nanowires as the deposition time prolongs. Magnetic and thermal expansion properties of both Fe nanotubes and nanowires are studied and compared. It is found that the Fe nanotubes have a large coercive force and are physically robust to the change in temperature as compared with Fe nanowires.
Approaches to prepare tfc polyamide membranes by coating diamine during, and/or post formation of asymmetric membranes and their performances

Thin film composite membranes were prepared by using1,3 - phenylene diamine in the gelation bath as well as in coating conditions. The cross - sectional view of the membranes shows different patterns for membranes prepared in a water - bath (Mem - I) and a diamine - containing water bath (Mem - II). The thin film composite membranes prepared using a diamine bath and coating (Mem - III) had improved salt rejecting ability but low volume flux. The performances of the salt rejection follows the order Na2SO4 > NaCl > MgSO4> MgCl2, as expected. The salt separation performances of the membranes made with higher concentration of 1,3 phenylene diamine follow the order Mem - IIIb > Mem - I > Mem - IIb. For membranes made with low concentration of 1,3 - phenylene diamine, the salt separation follows the same trend, (Mem - IIIa > Mem - IIa).
Gene delivery agents possessing antiradical activity: self-assembling cationic amphiphilic 1,4-dihydropyridine derivatives

Seventeen 1,4-dihydropyridine (1,4-DHP) amphiphiles including differently substituted pyridinium, pyrazinium, N-methyl piperidinium or N-methyl morpholinium moieties as the cationic head-group of the molecule have been designed and synthesised. 1,4-DHP amphiphiles have been earlier proposed as a promising tool for plasmid DNA (pDNA) delivery in vitro. In this work the ability of the 1,4-DHP amphiphiles to self-assemble, to bind pDNA and to transfer it into the cells as well as the cytotoxicity of 1,4-DHP amphiphiles–pDNA complexes was studied. Furthermore, antiradical activity (ARA) of the 1,4-DHP derivatives was determined. We have revealed that all new 1,4-DHP amphiphiles possessed self-assembling properties and formed nanoparticles in an aqueous environment. The structure of the cationic head-group of 1,4-DHP amphiphiles influenced the size of nanoparticles. Additionally, we demonstrated for the first time that the electronic nature of the substituent of the pyridinium as the cationic head-group of the 1,4-DHP amphiphiles strongly affected the ability of these compounds to bind pDNA and transfer it into the cells. The amphiphiles with electron-donating properties possessing substituents at pyridinium moieties were able to bind pDNA and to deliver it more efficiently than amphiphiles containing electron-withdrawing properties possessing substituents at pyridinium moieties. Moreover, in this study we have established that the presence of the cationic part in the molecule was essential for the expression of ARA among tested 1,4-DHP amphiphiles. Cationic 1,4-DHP derivatives containing pyrazinium or N-methyl morpholinium substituents in the cationic head-group of the molecule displayed the highest ARA.
Chemical nucleation theory for various humidities and pollutants

The Flood–Neumann–Doring–Reiss–Doyle theory gives a strong dependence of the nucleation rate on the humidity (for r.h. < 100%) and shows that under atmospheric condition H2SO4, but not HNO3, SO2, or NH3, contributes directly to the aerosol nucleation without pre-existing nuclei. Typically, 109 H2SO4 molecules per cm3 are enough to form droplets of aqueous sulphuric acid solutions.
EFFECT OF SOIL MULCH , SOME TREATMENTS ( UREA, COMPLETE FERTILIZER AND POLYAXAL) AND THEIR INTERACTION IN ALLEVIATION OF SALT STRESS ON CAULIFLOWER (Brassica oleracia var. botrytis)

This experiment was carried out to study the effect of soil mulch and the application of some treatments (control, urea, complete fertilizer and polyaxal) and their interaction in alleviation of salt stress on Cauliflower which cultivated in salty soil(11.3 dS/m -1 ) under drip irrigation , by estimating of leaf area, SOD and Catalase activity , MDA and Glutathione concentration in both of leaves and flowers. Soil mulch showed a significant increase in leaf area, SOD and Catalase activity ,Glutathione concentration and a significant decrease in MDA concentration in both of leaves and flowers compared to no mulch treatment . Complete fertilizer treatment caused higher significant effect compared to control treatment . The interaction between complete fertilizer and mulch was superior in leaf area (288.3cm2 ) compared to control (73.5 cm2 ) and gave increases in SOD and Catalase activity in addition of Glutathione concentration compared to control treatment in both leaves and flowers , while it caused significant decrease in MDA concentration in both of leaves and flowers. Key wards: Cauliflower , foliar fertilizer , mulch , polyaxal, salt stress.
Destruction of chlorinated organics by hydrotreatment using Ru/TiO2 catalyst

Catalytic hydrodechlorination reactions of p-chloro-m-cresol (PCMC) and p-chloroaniline (PCA) were investigated in a slurry reactor using a Ru/TiO2 catalyst. The organic reaction intermediates, m-cresol and aniline, were further converted into methylcyclohexanol and cyclohexylamine respectively. Kinetics of PCMC hydrogenation was studied over the ranges in temperature, 323–373 K, H2 partial pressure, 0.34–1.38 MPa, PCMC concentration, 3.5–14 mM and catalyst loading, 0.1–2 kg/m3. The reaction orders with respect to PCMC and H2 were evaluated as 0.5 and 0.8 respectively. It was found that aniline hydrogenation is the rate-determining step in the hydrotreatment of PCA. Kinetics of aniline hydrogenation was studied at 343 and 363 K over the ranges in H2 partial pressure, 0.34–1.38 MPa, aniline concentration, 5.4–21.5 mM and catalyst loading, 0.1–0.6 kg/m3. The reaction orders with respect to aniline and H2 were found to be 1.3 and 1.0 respectively. © 2012 Canadian Society for Chemical Engineering
GRAFT COPOLYMERIZATION OF CELLULOSE, CELLULOSE DERIVATIVES, AND LIGNOCELLULOSE

Abstract The growth of polymer science has led to the development of new materials in direct competition with natural materials, many of which have been in use since earliest times. This has caused researchers to look more critically at both natural and synthetic macromolecules in order to learn more about their underlying structures and their relation to the properties exhibited by the macromolecules. In this regard, chemical modifications have been devised to impart certain desirable properties of both natural and synthetic macromolecules, and their applications have become an integral part of such chemical modifications. Various chemical modifications (e.g., change of functionality, oxidative degradation, inter- and intramolecular gelation, graft copolymerization), have been practiced to add improved properties to the base polymers. However, among all these methods, modification of polymers via graft copolymerization has been the subject of much interest and has made paramount contribution toward impro.
Improvement and Test of Global Atmospheric Chemistry Model in Reproducingthe Regional Ozone Air Quality

Reproducing the properties of regional ozone air quality is always a challenge for global atmospheric chemistry models.This study adopted two modifications on isoprene chemistry and ozone dry deposition to the CAM-Chem global climate-chemistry model in order to improve the simulations of surface ozone air quality. The simulation of daily maximum 8-hour surface ozone concentration over the continental US is improved against EPA air quality system observations, and the basic pattern is well captured. The comparison between results of CAM-Chem and MOZART models shows a relatively better performance of CAM-Chem, in which both models use the same ozone chemical mechanism, emission inventory and meteorology data. The result indicates that the climate-chemistry model CAM-Chem simulated a more realistic environment for surface ozone production than that by the corresponding chemical transport model MOZART.Regional analyses of both results show large biases in reproducing the diurnal cycles of regional ozone concentration, which indicates a gap in reproducing the fine properties of regional ozone change by global models.However, the global model can capture the trends in seasonal variations and phase of temporal variability in diurnal cycle. Therefore, it is still good to use it for regional ozone studies associated with large area and long term trend.
Negative lymph node count is an independent prognostic factor for female patients with node positive breast cancer

Background Negative lymph node (NLN) count has been reported to associate with the prognosis of various cancers. This study aims to reveal the prognostic value of NLN count in breast cancer. Methods Clinical characteristics of patients were collected from the Surveillance, Epidemiology, and End Results (SEER) database. The X-tile program was used to determine the optimal cutoffs for NLN count. Univariate and multivariate analysis were used to assess the risk factors for breast cancer-specific survival (BCSS). Results The X-tile program identified that cutoff value of 2 and 10 could divide the patients into high, middle and low risk subgroups. According to multivariate analysis, patients with NLN count ≤1, over 60 years old, being black, higher tumor grade, higher T or N stage, negative hormone receptor, no radiotherapy or no chemotherapy would more likely suffer poor survival outcome. Subgroup analysis showed that NLN count could still predict survival independently. Conclusions NLN count is a potentially effective predictor of breast cancer and is a good supplement for N stage and TNM stage. Combining NLN count with other prognostic factors will be a better predictor for the survival of breast cancer patients.
Rapid Removal of Tetracycline (TC) by Ozonation after Extraction TC from Water into Acetic Acid Solution Using Granular Activated Carbon

This study quantifies the rapid removal of tetracycline (TC) in acetic acid solution by ozonation after extraction from water into acetic acid solution using granular activated carbon (GAC). Systematic laboratory experiments show that GAC can be used as an adsorbent to transfer TC from water to acetic acid. Ozone gas has a high degree of stability and solubility in acetic acid, and therefore apparently enhances the removal rate of TC. TC removal efficiency is better in 10% acetic acid solution than that in water, 15% and 20% acetic acid solution. Removal rate of TC in the acetic acid solution decreases as the initial molar ratio of TC and O3 increases. Inhibition effect of tertiary butyl alcohol (TBA) on TC removal is smaller in acetic acid than that in water. metal-TC complex was produced in the presence of Fe3+ and Co3+, which inhibited the degradation of TC by ozone in acetic acid. Removal of TC by ozone in the acetic acid solution might be affected by multiple factors, which should be considered in practical applications.
Synthesis and Characterization of Metal Containing Polyurethanes and Polyurethane-Ureas Based on New Divalent Metal Salts of Mono(Hydroxybutyl)Phthalate

ABSTRACT Divalent metal salts of mono(hydroxybutyl)phthalate were synthesized by the addition of 1,4-butane diol, phthalic anhydride and divalent metal [Ca2+, Mn2+ and Pb2+] acetates. A series of metal containing polyurethane and polyurethane-ureas containing ionic links in the main chain were synthesized by the polyaddition reaction of hexamethylene diisocyanate (HMDI) or toluylene 2,4-diisocyanate (TDI) with divalent metal salts of mono(hydroxybutyl)-phthalate [M(HBP)2] and 1:1 mixtures of toluylene 2,4-bis(ω, N-hydroxyethylurea) [TBHEU] and M(HBP)2. M(HBP)2 and the polymers were characterized by elemental analysis, solubility, viscosity, spectral studies (IR and FT NMR) and thermogravimetric analysis (TGA).
Sono-induced cold vapour generation interfaced with capacitively coupled plasma microtorch optical emission spectrometry: analytical characterization and comparison with atomic fluorescence spectrometry

Sono-induced cold vapour generation in 0.2 mol L−1 formic acid has been interfaced for the first time with a low power (10 W) and low argon consumption (100 mL min−1) capacitively coupled plasma microtorch for mercury determination by optical emission using a low resolution microspectrometer. The method meets the requirements of green analytical chemistry in terms of the derivatisation method, cost-effective conditions for plasma generation and miniaturized instrumentation. The method is based on sample ultrasonication in a batch reactor, purging of mercury vapour, moisture removal from vapour in a Nafion tubing, Hg preconcentration on a gold filament microcollector, thermal desorption and introduction of mercury vapour into plasma via an Ar stream. Emission episode spectra of Hg were recorded at 253.652 nm. Under the optimized conditions, a detection limit of 5.0 ± 0.3 ng L−1 was found, which was better than the 12 ng L−1 obtained by atomic fluorescence spectrometry after chemical cold vapour generation with SnCl2. The analytical capability of the new method was demonstrated by analysing the certified reference materials and real samples of fish tissue, soil and sediment mineralized in an acidic mixture. The method is highly sensitive and the matrix effects associated with cold vapour generation were avoided by sample dilution. Mercury was determined using external calibration with recovery and precision in the range of 96.3–104.5% and 0.8–7%, respectively. No systematic error against atomic fluorescence with chemical cold vapour generation using SnCl2 was observed.
The flow of colloids and polymers in channels simulated using non-equilibrium molecular dynamics

Here we report the results of non-equilibrium molecular dynamics simulations of the flow of colloidal and polymer particles in a thin channel with explicit inclusion of the background fluid. The simulations used atomic channel walls which were thermostated and an external field was imposed to produce planar Poiseuille flow at low Reynolds number. Results are presented which show the effect of channel width and flow rate on the velocity profiles. For wide channels at low flow rates these profiles are in agreement with the results of macroscopic fluid dynamics simulations, but discrepancies start to appear when the flow rate is increased and/or the channel widths become smaller until finally the profiles are dominated by wall effects such as particle layering and then macroscopic theory is not even qualitatively correct. Importantly it is observed that colloidal particles tend to migrate to the walls, but the polymer solutions simulated here tend to migrate to the centre of the channel.
A potent and selective CGRP2 agonist, ys(Et)2,7]hCGRPα: comparison in prototypical CGRP1 and CGRP2 in vitro ioassays

La mise au point d'antagonistes et d'agonistes puissants et tres selectifs est importante pour evaluer le ou les roles physiologiques de chacun des sous-types de recepteurs d'une famille de peptides. L'existence d'au moins deux sous-types de recepteurs du peptide lie au gene de la calcitonine (CGRP) a ete suggeree en se fondant sur la puissance du CGRP 8-37 pour antagoniser les effets du CGRPα dans l'oreillette de cobaye et sur les proprietes agonistes de l'analogue lineaire [Cys(Acm) 2,7 ]hCGRPα pour reproduire l'effet du hCGRPα dans le canal deferent de rat. Toutefois, la puissance plutot faible de [Cys)Acm 2,7 ]hCGRPα (ED 50 = 82 ± 7,5 nM) pour activer le sous-type de recepteurs du CGRP 2 limite son utilite. Par consequent, nous avons examine diverses modifications structurales de cet analogue dans des dosages biologiques in vitro de CGRP 2 et CGRP 1 prototypiques. En substituant un groupe ethylamide au fragment acetaminomethyl (Acm), [Cys(Et) 2,7 ]hCGRPα a demontre une forte puissance pour inhiber la reponse en secousse du canal deferent du rat (ED 50 = 3,4 ± 1,2 nM), alors que dans l'oreillette de cobaye, cet analogue n'a induit qu'un faible effet inotrope a des concentrations tres elevees (1 μM). De plus, [Cys(Et) 2,7 ]hCGRPα et un residu tyrosine ajoute a l'extremite N-terminale, [Tyr 0 ,Cys(Et) 2,7 ]hCGRPα, ont competitionne avec de fortes affinites pour la fixation de [ 125 I]hCGRP dans des homogenats cerebraux de rat (IC 50 = 0,3 et 0,1 nM, respectivement). Ces resultats suggerent que [Cys(Et) 2,7 ]hCGRPα est un nouvel analogue puissant qui pourrait se reveler utile pour discuter de la pertinence fonctionnelle de la classe de recepteurs du CGRP 2 .
4-Fluoro-3-phenoxybenzoic acid

In the title compound, $C_{13}H_{9}FO_{3}$, the dihedral angle between the benzene rings is 82.1 (1) Angstrom. The crystal structure is mainly stabilized by carboxylic acid dimers involving O-H.O hydrogen bonds, along with the formation of weak but highly directional intermolecular C-H.O and C-H.F interactions.
Determination of cadmium and lead in cassava employing slurry sampling and graphite furnace atomic absorption spectrometry after multivariate optimization

A low cost and efficient method to determine Cd and Pb levels in cassava by graphite furnace atomization atomic absorption spectrometry (GF AAS) employing slurry sampling was developed. Slurries were prepared by cryogenic grinding of samples (40 mg), sieving for grain size at 50 mesh and addition of 2% v/v nitric acid and 1% v/v hydrogenous peroxide up to 2 mL of volume. The slurry was maintained homogeneous using air bubbling by an aquarium pump. Tungsten (500 μg) and titanium (500 μg) were the best permanent modifiers for Cd and Pb, respectively. The parameters of merit obtained under optimized conditions, AT (atomization temperature) = 1400 °C, PT (pyrolysis temperature) = 600 °C, pt (pyrolysis time) = 20 s and permanent W (500 μg) for Cd; AT = 1400 °C, PT = 450 °C, pt = 20 s, and Ti (500 μg) for Pb were: linear working range up to 6 and 50 μg L−1 for Cd and Pb, respectively; limit of detection (0.001 and 0.02) μg g−1 for Cd and Pb, respectively; and aqueous calibration, with r2 > 0.99. The accuracy was evaluated by recovery tests and by analysis of certified reference material (NIST – SRM 1568a, rice flour) and was in agreement with the certified values for the two analytes: 0.021 ± 0.002 (n = 5 replicates) for Cd (certified value 0.022 ± 0.002) and <LOQ (n = 5) for Pb (certified value <0.010). The average sample concentrations (n = 3) were between <LOQ to 5.8 ng g−1 and 0.08 to 3.18 μg g−1 for Cd and Pb, respectively.
The radiation chemistry of 2-mercaptoethanol

Hydrogen, hydrogen sulphide, mercaptoethanol disulphide, and ethanol yields from the radiolysis of 2-mercaptoethanol are consistent with the same mechanism postulated for other sulphydryl-containing molecules. In all cases studied gH in neutral solution appears to be enhanced (gH = 0.7–0.9 molecule per 100 eV). However, there is no basis for attributing this to reaction [10] which was postulated in earlier work:but is not supported by independent data from H atom studies.
Synthesis of 100 μm uniform porous spheres by SPG emulsification with subsequent swelling of the droplets

mm porous p(styrene-co-divinylbenzene) (PS-DVB) microspheres were synthesized by employing a particular membrane emulsification technique, and subse- quent swelling of the seed droplets. DVB dissolving a water-insoluble substance, hexa- decane (HD), and an initiator was permeated through a SPG (Shirasu porous glass) membrane, and the uniform (seed) droplets were released to a stabilizer solution acting as the continuous phase. The average droplet size was around 30 mm, and this emulsion was mixed with a secondary emulsion of much smaller size consisting of more hydro- philic components, a mixture of styrene, middle chain alcohol (C6 to C8), dichloroben- zene, and isoamyl acetate, which promotes the degradative diffusion process of the components. After all the droplets in the secondary emulsion virtually disappeared, the seed droplets were swollen to a maximum 110 mm. Polymerization was carried out at 348 K under a nitrogen atmosphere. Uniform porous spheres of 100 mm with the coefficient of variation less than 10% were obtained. Specific surface area was 350 m 2 / g. Careful controlling of the specific gravity of swollen droplets and the choice of solvents balancing between the good solvency for the polymer and polarity (solubility in water) proved vital in order that the polymerization may proceed without an extensive phase separation in the early stage, which eventually induces breakup of the droplets. The three component system, isoamyl acetate-hexanol-o-dichlorobenzene, provided an ade- quate cosolvent for these purposes. q 1997 John Wiley & Sons, Inc. J Appl Polym Sci 63: 931-942, 1997
Environmental challenges of the Polish energy sector

Our paper presents the results of the integrated assessment modelling of environmental and human health impacts of emissions in Poland. The analysis was performed based on the so-called National Scenario. The estimated emission levels of SO2, NOx, and PMs for 2020 were used as the input data to model ambient concentrations and depositions of these pollutants. Exceedances of critical loads of acidity caused by nitrogen and sulphur depositions were calculated. External costs associated with human health impacts of air pollution were estimated. Additionally, ambient concentration of gaseous and particulate Hg were modelled based on 2005 EMEP emissions data. The main part of the analysis was carried out using the Eulerian Chemistry Transport Model POLAIR3D.