Miracle-dz/UniFAR-FTUs huggingface dataset:
Chemical Composition, Antioxidant and Antimicrobial Activities of Essential Oil from Crithmum maritimum Cultivated in Tunisia

Abstract Crithmum maritimum L. , a species original from France and cultivated in Tunisia arid zones. In this study, we interested to the chemical composition and biological activities of essential oils from different parts of Crithmum maritimum L. , . Theses oils were isolated by hydrodistillation and analyzed by GC and GC-MS. The antioxidant activity was evaluated by ABTS tests and the antibacterial activity was tested using the diffusion method. Yellow oils were obtained with yields ranging between 0.28 % and 3.60 %. Our results showed that essential oils of different plant parts were mainly composed by dillapiole (2.39 to 41.35 %), thymyl methyl ether (20.13 to 34.75 %), p-cymene (4.83 to 22.08 %) and γ-terpinene (22.54 to 43.29 %). Evaluation of antioxidant activity showed that the oils of flowers exhibited the most important antioxidant potential oils of flowers, leaves, seeds were the most active against Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus epidermidis, respectively. The essential oil of seeds was the most active against Staphylococcus aureus with an inhibition zone diameter of 18±0.5 mm. This study can contribute to provide useful data in understanding the impact of culture of Crithmum maritimum on chemical composition and biological effects of its essential oil and further studies should be conducted to achieve this goal.
A combined solid-state NMR and diffraction study of the structures and acidity of fluorinated aluminas: Implications for catalysis

We have investigated the structures of a series of pristine and Zn 2 + -impregnated aluminas following fluorination with HF, by using both solid-state NMR and X-ray powder diffraction methods. In the absence of any cation impregnation, α-AlF 3 and small amounts of β-AlF 3 are formed at a temperature of 400 °C with an HF/N 2 ratio of 1/1. Even higher fractions of β-AlF 3 are formed from the impregnated phases for HF levels of 30% and higher, along with a significant concentration of α-AlF 3 . In contrast, fluorination of Zn 2 + -impregnated γ-Al 2 O 3 in dilute HF feeds resulted in formation of the aluminum (hydroxy)fluoride pyrochlore phase, AlF 2 -OH, in significant quantities. Thus, even very low levels of transition metals (<2 wt %) appear to play an important role in controlling the phase formed during the fluorination reaction. The formation of the metastable β-AlF 3 and pyrochlore phases, which both contain three- and six-membered Al rings, is ascribed to the presence of high concentrations of protons, either in the starting material or in the fluorinating agent. The pyrochlore phase is stabilized in the presence of Zn, presumably due to the vacant A site in this structure, which can accommodate Zn 2 + ions more readily than the vacancies in the β-AlF 3 structure. Basic probe molecules (dimethylphenylphosphine), in combination with 3 1 P NMR, were used to study and quantify the surface acidic sites that are formed as a result of fluorination. On the basis of our work, we suggest that the Zn 2 + ions are not directly implicated as catalytically active centers. The presence of Zn causes an associated increase in the concentration of coordinatively unsaturated aluminum sites, which can then act as the catalytically active centers for F/Cl exchange reactions.
Trace zinc and copper concentrations in roadside vegetation and surface soils: a measurement of local atmospheric pollution in Alice, South Africa

The concentration of zinc and copper in 180 grass and associated soil samples collected in triplicate samples were determined. The triplicate field data were averaged to yield mean soil and vegetation metal concentrations at each sample location. The zinc levels ranged from 7.0 ± 1.4(S.D.) — 134.8 ± 6.3(S.D.) μgg‐1, dry weight, in grass and from 0.6 ± 0.2 (S.D.) — 119.5 ± 3.9 (S.D.) μgg‐1, dry weight, in surface soils. The results showed that zinc contents are high close to the road traffic and fall off rapidly with distance from the road edge. Similar studies on copper gave lower values ‐1.0 ± 0.2(S.D.) — 8.1 ± 1.4(S.D.) μgg‐1, dry weight in soil samples which did not show any correlation with distance from road traffic. Analysis of standard soil reference materials (SRM 2710) gave results (Zn, 6636.5 ± 43.7(S.D.); Cu, 2725 ± 49.1(S.D.)) which are found to be in good agreement with certified NIST values (Zn, 6952 ± 91; Cu, 2950 ± 130). Results of spiking experiments with vegetation gave high percentage recoveries for both elements (Zn, 96.6 ± 1.3(S.D.)% and Cu, 95.5 ± 0.5(S.D.)%). Blank determinations were done for background corrections.
Cultivar Differences and Seasonal Changes of Primary Metabolites and Flavor Constituents in Tall Fescue in Relation to Palatability

Six tall fescue cultivars have been considered and investigated during the growing season to assess a possible relationship between palatability and chemical composition of the grass. The percentages of crude protein, fiber fractions, and water soluble carbohydrates have been determined in the dry matter, while the main flavor constituents of the fresh herbage have been obtained by steam distillation and analyzed by gas chromatography (GC) and GC-mass spectrometry. Slight variation has been found for primary metabolites comparing genotypes, whereas wider variations exist among harvests. Water soluble carbohydrate content seems to be highly related to preference rating estimated by leaf flexibility. T'he most abundant volatile constituents of the essential oil show wide variability among cultivars and cuts during the growing season. Relationships between primary metabolites and volatile compounds in tall fescue are presented and discussed, although no direct influence with palatability can be assessed
Refined Crystal and Molecular Structure of Andrographolide — Diterpene

A refined crystal structure of andrographolide has been obtained by X-ray anaysis using CuKα radiation. It crystallizes in the monoclinic crystal system with unique b-axis in space group P2 1 . The unit cell parameters are a = 6.552(2) A, b = 8.009(1) A, c = 17.989(1) A and interaxial angle β = 97.32(1)°. The structure has been solved by direct methods and was refined up to R = 0.041, ωR = 0.0464. Both the cyclohexane rings are in chair conformation with the furan ring in twist conformation. The crystal structure is stabilized by hydrogen bonding.
Novel Process for Synthesis of 1,2,4‐Triazoles: Ytterbium Triflate–Catalyzed Cyclization of Hydrazonyl Chlorides with Nitriles

Abstract A series of 1,3,5‐trisubstituted 1,2,4‐triazoles were synthesized via the intermolecular cyclization of hydrazonyl chlorides with nitriles catalyzed by ytterbium triflate [Yb(OTf)3]. The amount of catalysis was discussed and Yb(OTf)3 could be reused without loss of activity.
Chemical engineering kinetics

Kinetics and Dynamics of Elementary Gas ReactionsKinetics of Chemical ReactionsMathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and CombustionReaction Kinetics and Reactor Design, Second EditionChemical Engineering KineticsAn Introduction to Chemical KineticsCoulson and Richardson’s Chemical EngineeringChemical Engineering KineticsIntroduction to Chemical Engineering Kinetics and Reactor DesignElements of Chemical Reaction EngineeringChemical Reaction KineticsIntroduction to Chemical KineticsChemical Kinetics: Fundamentals and Recent DevelopmentsLecture Notes in Chemical Engineering Kinetics and Chemical Reactor DesignGas-Phase Thermal ReactionsModeling of Chemical Kinetics and Reactor DesignAn Introduction to Chemical Engineering Kinetics and Reactor DesignBioprocess EngineeringChemical Engineering KineticsAn Introduction to Chemical Engineering Kinetics & Reactor DesingReaction Kinetics for Chemical EngineersAdvances in Chemical EngineeringCatalytic KineticsModeling of Chemical Kinetics and Reactor DesignChemical Engineering KineticsKinetics of Chemical ProcessesChemical KineticsChemical Engineering KineticsReaction EngineeringAdsorption Analysis: Equilibria And Kinetics (With Cd Containing Computer Matlab Programs)Reaction Kinetics in Chemical EngineeringIntroduction to Chemical Reaction Engineering and KineticsAdvanced Data Analysis and Modelling in Chemical EngineeringReaction Engineering, Catalyst Preparation, and KineticsChemical Kinetics and Reaction DynamicsChemical Engineering KineticsAdvances in Kinetics and Mechanism of Chemical ReactionsGreen Chemical EngineeringComprehensive Chemical KineticsPrinciples of Chemical Kinetics
Pressure effects on the aggregation of poly(N-isopropylacrylamide) and poly(N-isopropylacrylamide-co-acrylic acid) in aqueous solutions

Pressure effects on the phase separation of aqueous solutions of poly(N-isopropylacrylamide) (pNIPA) and poly(N-isopropylacrylamide-co-acrylic acid) (pNIPA/AAc) were examined at pressures up to 250 MPa. The cloud point temperature first increased and then decreased as the pressure was raised. The copolymer solutions had higher maximum temperature and pressure than the pNIPA solutions. Though the cloud point curve of pNIPA solutions had no concentration dependence, the cloud point curve of pNIPA/AAc solutions shifted toward higher temperature and pressure with decreasing concentration
Membrane Blocking In Ultrafiltration: A New Approach to Fouling

In this study a model was developed that describes membrane blocking during cross-flow ultrafiltration (UF). This fouling model is able to predict the relative importance of internal pore blocking, blocking of the pore entrance and filter cake formation related to permeation of model solutions of dextran T-70 and dextran 2000. The effects of transmembrane pressure, solute concentration and kind of solute on permeate volume were studied. When using a 0.1% dextran T-70 solution, membrane fouling was due to both internal pore blocking and cake formation. For the other operating conditions, membrane permeation was governed by just one blocking mechanism.
Eucalyptus kruseana Muel essential oil: chemical composition and insecticidal effects against the lesser grain borer, Rhyzopertha dominica F. (Coleoptera: Bostrichidae).

This research studied the fumigant toxicity, repellent property, durability and anti-nutritional efficiency of essential oil of E. kruseana on the adults of lesser grain borer, Rhyzopertha dominica F. The essential oil was extracted using Clevenger apparatus and its chemical composition analyzed by GC-MS. 1,8-cineole (69.0%), α-thujene (10.0%), E-caryophyllene (5.87%) and Trans-pinocarveol (4.4%) were identified as main components. The results indicated that LC50 of E. kruseana essential oil was 27.98 μl/l air and increasing the concentration of essential oil caused the increases in the mortality. LT50 values were calculated as 4.16, 3.63 and 2.87 h at 100, 200 and 500 μl/l air, respectively. The calculated LT50 so as to study the durability of E. kruseana essential oil on R. dominica adults was 6.47 days. It was clear from the repellency index that E. kruseana essential oil has strong repellency at 70, 140 and 280 μl/l air concentration. The results showed that E. kruseana essential oil has significantly affected the RGR (Relative Growth Rate), RCR (Relative Consumption Rate) and FDI (Feeding Deterrence Index) of R. dominica adults and it was concentration-dependent. The Efficiency of Conversion of Ingested food (ECI) has decreased while the concentrations are not statistically different at 5% level compared to the control group. The above findings suggest that the essential oil of Eucalyptus kruseana can play an important role in pest control and reduce the need for synthetic insecticides and also the risks associated with their use.
Catalytic Oxidation of a Diesel Soot Formed in the Presence of a Cerium Additive. II. Temperature-Programmed Experiments on the Surface-Oxygenated Complexes and Kinetic Modeling

Two diesel soots formed in a engine/exhaust line by using a fuel that contained 350 ppm (by weight) of sulfur with and without a cerium-based additive (diesel soots denoted Cec-DS and nc-DS, respectively) are studied (i) via temperature-programmed experiments in the temperature range of 300−1300 K and (ii) adsorption of O2, CO, and CO2 at several adsorption temperatures (Ta). It is shown that, during the linear increase of temperature in a helium flow (a procedure denoted as the He−Temperature Programmed Experiment, He-TPE), the “as-prepared” Cec-DS soot leads to the detection of a high CO2 peak, with a maximum at Tm = 905 K, which is not observed on nc-DS. After the treatment of Cec-DS at 1200 K in helium, the adsorption of O2 at Ta < 660 K leads, during the successive He-TPE, to observations similar to that on the freshly prepared soot, showing that the characteristic CO2 peak is not linked to the formation of a particular surface-oxygenated complex (SOC), because of the experimental conditions of the e.
Fabrication of S, N co-doped α-Fe2O3 nanostructures: effect of doping, OH radical formation, surface area, [110] plane and particle size on the photocatalytic activity

A highly efficient S, N co-doped α-Fe2O3 has been synthesized by a simple co-precipitation technique using thiourea as the precipitating agent, as well as the source for sulphur and nitrogen. Detailed characterizations are performed for establishing the structural, morphological, optical and electronic property of the synthesized materials. Sulphur doping induces a strong diffraction along the [110] plane which is a determining factor for the enhancement in photocatalytic activity. The presence of both sulphur and nitrogen has remarkable enhancement of the degradation of Rhodamine B (RB) compared to the bulk material, as well as the single non-metal doped hematite. A comparison has been made between the adsorption, Fenton, photo-Fenton and photocatalytic degradation of RB. A maximum degradation of 95% was obtained in just 4 h under natural sunlight illumination. The difference in catalytic activity has been discussed in terms of their (1) particle size, (2) surface area, (3) [110] plane in the sulphur doped material, (4) formation of OH radicals and (5) co-doping of sulphur and nitrogen creating the trap state, etc.
Keeping It Real in the Era of Bots and Trolls

Today it is much harder to distinguish science from science fiction. (1) The advent of social media has created a universe of information made up of equal parts of opinion, facts and false information. (2) The evolutionary shifts in the media environment that have occurred in recent decades have enabled bad actors increasingly to circulate fake news, misinformation, and disinformation(3), with the help of trolls, bots, and respondentdriven algorithms. (4) Internet trolls and bots greatly amplify the message of alternative internet news outlets: Between 9% and 15% of Twitter accounts are estimated to be bots, and Facebook estimates that as many as 60 million bots are currently trolling its platform; in 2016, 20% of all tweets concerning the presidential election came from bots. (3)(5)(6) As a result of these changes over the last 30 years, communication in media and political environments has changed profoundly in ways that degrade effective communication. (4) Rather than process information dispassionately, partisan stakeholders resort to motivated reasoning with the goal of protecting their beliefs and values from external threat. As Iyengar and Massey(4) put it, “As a result, whenever scientific findings clash with a person or group’s political agenda, be it conservative (as with climate science and immigration) or liberal (as with genetically modified foods and vaccination risks), scientists can expect to encounter a targeted campaign of fake news, misinformation, and disinformation in response, no matter how clearly the information is presented or how carefully and convincingly it is framed. ”
Light induced degradation of amorphous silicon containing nanocrystalline silicon

The effect of light soaking (LS) is studied in hydrogenated amorphous silicon (a-Si:H) containing different amounts of nanocrystals, prepared by varying the deposition conditions in a plasma enhanced chemical vapor deposition (PECVD) system. We find that the presence of nanocrystals (nc-Si) stabilizes the a-Si:H against LS. The long range potential fluctuations (LRPF) are measured and we find that they become smaller as the fraction of nanocrystals (χ) in the films increases. Raman spectra show a peak at 490 cm−1, which is taken to be the result of Intermediate Range Order (IRO) in the films. This IRO peak appears just when the hydrogen dilution is sufficiently high for the crystallization to begin, and increases with increasing hydrogen dilution as the crystallization increases. In contrast LRPF have maximum width when χ is zero and it decreases as χ increases. Further, the degradation upon LS is negligible when χ > 25%. We suggest an alternative mechanism for the improved stability, in which the photogenerated carriers moving under the influence of the long range potential fluctuations have a propensity to go to nc-Si, and recombine in that region.
Outcomes of an Educational Program on the Knowledge Level of Shaken Baby Syndrome Among Adolescent Babysitters

Shaken baby syndrome is a form of child abuse that exhibits no external sign of injury. A recent study by Starling, Holden, and Jenny (1995) indicated that approximately 3 0% of the perpetrators were nonparental child caregivers. The purpose of this study was to determine if there were differences in the knowledge level of shaken baby syndrome among adolescent babysitters before and after an educational intervention. The nursing theory. Modeling and Role-Modeling, was used to guide this study. Data were collected from a convenience and network sample consisting of 21 adolescents aged 12 to 17 years who reside in suburban north central Alabama. Participants answered the Shaken Baby Syndrome Questionnaire as a pretest. An educational intervention was provided on shaken baby syndrome and development of infants and toddlers. The Shaken Baby Syndrome Questionnaire was utilized as a posttest 3 weeks later. Data analysis was based on three categories in the Shaken Baby Syndrome Questionnaire: knowledge of shaken baby syndrome, areas of
Angiographic findings of in-stent intimal hyperplasia after stent-assisted coil embolization: are they permanent findings?

OBJECTIVE Stent-assisted coil embolization for the treatment of intracranial aneurysms has been used widely. This study aimed to investigate the effect of stent implantation in the nonatherosclerotic parent artery with cerebral aneurysms. The authors evaluated luminal changes and the related factors following stent-assisted coil embolization. METHODS This study included 97 patients harboring a total of 99 unruptured aneurysms of the distal internal carotid artery (ICA) who underwent single-stent implantation and more than 1 session of conventional angiography during follow-up (midterm follow-up only, n = 70; midterm and long-term follow-up, n = 29) between January 2009 and April 2014. The luminal narrowing point was measured using a local thickness map (ImageJ plug-in). RESULTS Stent-assisted coil embolization caused dynamic luminal narrowing of approximately 82% of the parent artery diameter on average after 8 months, which was reversed to 91% after 25 months. In addition, luminal narrowing greater than 40% was noticed in 2 (7%) of the 29 patients who experienced spontaneous reversion without additional management during follow-up. Most luminal narrowing changes seen were diffuse. CONCLUSIONS Luminal narrowing after aneurysm stent-assisted coil embolization is a dynamic process and appears to be a spontaneously reversible event. Routine management of luminal narrowing may not cause adverse events that require additional treatment.
Dispersion and temperature dependence of thermo-optic coefficients of optical materials over their whole transparency range: vectorial formalism and application to KTiOPO4

The temperature-dependent dispersion of the refractive index of optical materials is analyzed by introducing an appropriate formulation of what we call their "normalized thermo-optic coefficients" (NTOC). These parameters are obtained experimentally by performing accurate interferometric measurements of both thermal expansion and changes in optical thickness of parallelepipedic shaped samples of millimetric size which are submitted to a linear ramp of temperature. Changes in optical thickness are recorded as function of temperature at a few discrete laser wavelengths; they are expressed as power series of temperature and the use of a simple vectorial formalism allows then to determine the thermal behavior of the dispersion law over the whole transparency range of the material. The validity and reliability of the proposed method has been confirmed by modeling the temperature dependence of the type II second harmonic generation 1.064 μm - 0.532 μm in a KTiOPO4 single crystal, recorded up to 120°C.
Doubly degradable dynamers: dynamic covalent polymers based on reversible imine connections and biodegradable polyester units

We report the preparation and features of environmentally friendly “Green Dynamers” (GDs), dynamic polymers presenting sequential double-degradation features, chemical and biological. They were obtained by connecting biodegradable oligomers (such as small units of polybutylene adipate, PBA, and polybutylene succinate, PBS) through chemically degradable reversible imine bonds. The GDs possess water disintegratability, mendability and biodegradability. Their degradation rate may be modulated through and increases with the number of imine groups in the polymeric chain. The GDs were thermodynamically stable and maintained their molecular weight and their mechanical strength in air. However, when they were contacted with water, the imine bonds easily hydrolyzed, breaking up the polymer chains into oligomers. After such water disintegration, the residual oligomers were biodegraded into CO2 and water. In addition, the imine bonds were restored by evaporation of the water, leading to recovery of the molecular weight and of the mechanical properties of the GDs. The present GDs may be considered to represent a class of doubly-degradable polymers, combining chemical and biological degradability features, that operate in mild environmental conditions. This concept may contribute to solve the problem of waste elimination associated with the use of non-degradable polymeric materials.
Femtosecond multiphoton generation of the self‐trapped exciton in α‐SiO2

Nonlinear optical excitation of crystalline quartz with intense femtosecond UV pulses yields the 2.8 eV recombination luminescence of the self‐trapped exciton. The relation between the excitation and emission intensities reveals two‐ and three‐photon kinetics for photon energies of 4.4 and 4.0 eV at excitation densities below 1018 cm−3. These power laws are not sizably influenced by transient linear absorption, self‐focusing, and filamentation.
The influence of the temperature fluctuations variance on NO predictions for a gas flame

An experimental and theoretical activity has been carried out to investigate the influence of the statistical description of temperature fluctuations on total NO emission predictions in a turbulent gas diffusion flame. A small cylindrical combustor has been simulated, using a commercial CFD code describing flow and combustion processes, integrated with a decoupled NO kinetics model that solves the transport equation of the average NO mass fraction. From the comparison of the computed results with in-flame measurements of temperature and species concentrations it can be concluded that modelling of the temperature variance transport equation is required to obtain correct NO predictions, and that results are sensitive to how the combustion contribution to the variance source term is handled.