Miracle-dz/UniFAR-FTUs huggingface dataset:
Adsorption characteristics of toxic chromium(VI) from aqueous media onto nanosized silver nanoparticles-treated activated carbon

ABSTRACT The present study reports the use of nanomaterial, e.g. Ag nanoparticles (AgNPs), immobilized activated carbon as an effective solid adsorbent for removal of toxic chromium(VI) from water. Chromium(VI) uptake was found favorable in acidic media at pH ≤ 3. Based on Langmuir model, monolayer adsorption capacities of chromium(VI) found equal 93.5 mg/g. The results fitted well with pseudo second-order and Langmuir models. The mechanism of adsorption was explored using the intra-particle diffusion model and the liquid-film model. Chromatographic separation of chromium(VI) was achieved. The AC-AgNPs was successfully recycled for five successive adsorption–desorption cycles indicating its high reusability.
Toothpaste containing sodium bicarbonate, sodium fluoride, and potassium nitrate for dentine hypersensitivity with periodontal inflammation

Dentine hypersensitivity is commonly found in patients with periodontal inflammation, typically caused by a disease process that has exposed the root surface. Use of toothpaste while tooth brushing has been proven to be effective in removing plaque as a major cause of inflammation. This study was performed to analyze the role of tooth brushing with toothpaste containing sodium bicarbonate, sodium fluoride, and potassium nitrate in the treatment of dentine hypersensitivity with periodontal inflammation. Experimental clinical trial data were compared between groups. Both groups showed decreased levels of sensitivity and inflammation. Compared with controls, patients in the treatment group showed a greater decrease in sensitivity.
BACK ANALYSIS OF OSTERBERG-CELL PILE LOAD TEST BY MEANS OF THREE-DIMENSIONAL GEOTECHNICAL MODELING

In 3D geotechnical modelling it is essential for the realistic simulation of soil behavior that the parameters of the hardening soil with small strain constitutive model are specified appropriately. The possibility of deriving these parameters for very stiff cohesive soils similar to the so called Kiscell clay that has a significant role in deep construction projects in Budapest, from laboratory and field tests is rather limited. The results of the pile load test completed for the MOL Campus high-rise building project proved to be useful data source. The article presents the circumstances of the quoted Osterberg-cell pile load tests and the modelling of the pile performed by the above-mentioned soil model. The parameters specified on the basis of laboratory tests - and in absence of those based on literature - data can be fine-tuned by approaching the load test results.
KİŞİ-ÖRGÜT UYUMU İLE ÖRGÜTSEL VATANDAŞLIK DAVRANIŞI İLİŞKİSİ: İŞ TATMİNİNİN ARACILIK ROLÜ

This study aims to investigate how person-organization fit perceived by bank employees affects the organizational citizenship behavior and whether there is a mediating effect of job satisfaction in person-organization fit and organizational citizenship behavior relationship. Data for the sample was collected from 184 bank employees working in Karabuk, Turkey. The hypotheses were tested by hierarchical regression analyses. The results show that job satisfaction partially mediated the relationship between person-organization fit and dimensions of organizational citizenship behavior (altruism, conscientiousness, courtesy, sportsmanship, civic virtue). By examining the relationship between person-organization fit, organizational citizenship behavior and job satisfaction, this study allows bank managers to predict why person-organization fit perceived by employees results in increased organizational citizenship behavior.
Using molecular dynamics simulations to identify the key factors responsible for chiral recognition by an amino acid-based molecular micelle

Abstract Molecular dynamics (MD) simulations were used to investigate the binding of six chiral compounds to the amino acid-based molecular micelle (MM) poly-(sodium undecyl-(L)-leucine-leucine) or poly(SULL). The MM investigated is used as a chiral selector in capillary electrophoresis. The project goal was to characterize the chiral recognition mechanism in these separations and to move toward predictive models to identify the best amino acid-based MM for a given separation. Poly(SULL) was found to contain six binding sites into which chiral compounds could insert. Four sites had similar sizes, shapes, and electrostatic properties. Enantiomers of alprenolol, propranolol, 1,1′-bi-2-naphthyl-2,2′-diyl hydrogen phosphate, 1,1′-bi-2-naphthol, chlorthalidone, or lorazepam were separately docked into each binding pocket and MD simulations with the resulting intermolecular complexes were performed. Solvent-accessible surface area calculations showed the compounds preferentially associated with binding sites where they penetrated into the MM core and shielded their non-polar atoms from solvent. Furthermore, with five of the six compounds the enantiomer with the most favorable free energy of MM association also experienced the most favorable intermolecular hydrogen bonding interactions with the MM. This result suggests that stereoselective intermolecular hydrogen bonds play an important role in chiral discrimination in separations using amino acid-based MMs.GRAPHICAL ABSTRACT
Photoinduced electronic and ionic effects in strontium titanate

The interaction of light with solids has been of ever-growing interest for centuries, even more so since the quest for sustainable utilization and storage of solar energy became a major task for industry and research. With SrTiO3 being a model material for an extensive exploration of the defect chemistry of mixed conducting perovskite oxides, it has also been a vanguard in advancing the understanding of the interaction between light and the electronic and ionic structure of solids. In the course of these efforts, many phenomena occurring during or subsequent to the illumination of SrTiO3 have been investigated. Here, we give an overview of the numerous photoinduced effects in SrTiO3 and their inherent connection to electronic structure and defect chemistry. In more detail, advances in the fields of photoconductivity, photoluminescence, photovoltages, photochromism and photocatalysis are summarized and their underlying elemental processes are discussed. In light of recent research, this review also emphasizes the fundamental differences between illuminating SrTiO3 either at low temperatures (200 °C), where in addition to electronic processes, also photoionic interactions become relevant. A survey of the multitude of different processes shows that a profound and comprehensive understanding of the defect chemistry and its alteration under illumination is both vital to optimizing devices and to pushing the boundaries of research and advancing the fundamental understanding of solids.
Method Validation for Equilibrium Solubility and Determination of Temperature Effect on the Ionization Constant and Intrinsic Solubility of Drugs

We performed this study to understand the physicochemical properties of drug-like molecules such as pKa and logS0 (logS) values. The first purpose is to compare pKa and logS0 values obtained using a prediction tool and experimental results. The second purpose is to identify the temperature effect of pKa and logS0 for ionizable drugs at 25oC and 37oC. PKa and logS0 of ordinary base compounds were significantly changed by increasing the temperature, but acid and amphoteric compounds were not. The third purpose is to validate the shake-flask method using different buffers and stirring and sedimentation times compared with potentiometric experiments. The equilibrium solubility from the shake-flask method had an excellent consistency with the potentiometric method (CheqSol) for crystalline forms. Additionally, measurement of amorphous compounds, which are poorly soluble and metastable in aqueous solutions, was feasible to determine logS0 (and logS) values using the CheqSol technique.
Mass transfer intensification in bioactive compounds recovery by alternative extraction methods: effects of solvent

Recently, the exploration of new alternatives to common organic solvents in combination with non-conventional energy sources is a subject of intense research and development as tools for green extraction of plant-derived natural products. This paper deals with the use of low frequency ultrasound (100 W, 32 kHz) and pulsed electrical fields (0.86 kV cm-1, 13 Hz) to raise the efficiency of the extraction of selected plant species rich in valuable phenolic compounds.Four types of natural deep eutectic solvents were applied for the ultrasound-assisted extraction of silymarin from milk thistle among which a choline-chloride-based mixture with glycerol was proved to be the most promising one. Additionally, the usage of high ultrasound power significantly increased the concentration of sylimarin as compared to traditional ethanol extraction, generating rapidly for 10 min considerable temperature rise as a side effect under non-cooling conditions. The application of PEF as a pre-treatment for 0.8 s to the extraction allowed reducing the ethanol percentage in the ethanol/water mixtures giving comparable phenolic yields, without any, or very little, increase in temperature. As such, optimized power intensity in conjunction with appropriate solvent system provides a potential to improve the release of thermally unstable bioactive compounds under mild processing conditions.
Ten principles of citizen science

Citizen science is a flexible concept which can be adapted and applied within diverse situations and disciplines. The statements below were developed by the ‘Sharing best practice and building capacity’ working group of the European Citizen Science Association, led by the Natural History Museum London with input from many members of the Association, to set out some of the key principles which as a community we believe underlie good practice in citizen science.
Effect of catalyst (aluminum oxide) on bio-oil yield from pyrolysis of Pakistani Cotton Stalk

Catalytic fast pyrolysis, thermo-chemically converts lignocellulosic biomass into valuable chemicals and fuels. Aluminum oxide anhydrous catalyst was used during experimentation of pyrolysis in fixed bed reactor and found very effective and progressive resulting in higher yield of bio-oil. The bio-oil yield of 57 % was obtained at pyrolysis temperature of 500 °C with non catalytic sample of cotton stalk whereas it was increased upto 61 % with catalytic sample. The net increase of around 4 % of bio-oil yield was attained in the catalytic pyrolysis. The heating values of bio-oil at 500°C were 26.05 MJ/kg for non-catalytic sample whereas 27.52 MJ/kg for catalytic sample. Higher quality fuels with lower oxygen content and greater calorific value were obtained by the application of alumina catalyst in pyrolysis. GC-MS analysis of obtained bio-oil identified the chemical compounds such as dodecanoic acid, n-penta decyclic acid, palmitic acid, 1,2-benzenedicarboxylic acid, phenols, aromatics, carboxylic acids and esters
Lactic acid recovery from a model of Thermotoga neapolitana fermentation broth using ion exchange resins in batch and fixed-bed reactors

ABSTRACT This study focused on the integration of lactic acid adsorption and desorption onto commercially available resins in batch reactors with consequent scale-up in fixed-bed reactors. Amberlite® IRA-900, IRA-400, IRA-96 and IRA-67 were used as adsorbents for lactic acid recovery from solutions that mimic the fermentation broth of Thermotoga neapolitana. The best resins were further tested in adsorption–desorption batch experiments, over 13 cycles, with IRA-67 showing an average removal efficiency of 97%. IRA-67 was tested in fixed-bed reactor experiments and an average desorption efficiency of 68% was achieved using three bed volumes of 0.5 M NaOH as the desorbing agent.
University of Birmingham Utilizing functionalized bromomaleimides for fluorogenic conjugation and PEGylation of enzymes

: Two efficient enzyme conjugation techniques have been explored by exploiting the reactions of bromomaleimides. The conjugations utilize monobromo-and dibromo-maleimides, which have been reacted with reduced disulfide bonds or terminal amines in α-chymotrypsin and human lysozyme. These reactions allow the formation of dithio-(DTM), monoamino-(MAM), and aminobromo-(ABM) maleimides, which are solvent-dependent fluorophores and have a handle for further functionalization, which allowed fluorogenic PEGylation via this technique. In this work, the efficiency of these maleimide conjugations was monitored and the fluorescence of the resulting conjugates have been examined. The quantum yields of the small molecule maleimide conjugates have been calculated, but are low due to solvent quenching effects. Catalytic activities of the conjugate enzymes have been compared to their respective native enzymes, which show no discernible effect of the modifications on enzymatic activity or stability at room temperature.
Effect of Mixing on the Density and Chlorophyll A Content on Botryococcus Sp.

Optimization of the growth of microalgae is essential due to demand for high biomass yields. In addition, the methods to estimate the growth (as cell density or biomass) of microalgae are tedious. The normal methods include cell counts, optical density, chlorophyll a and ash free dry weight. However, at least two of these methods were done together for every growth experiment to get a better result. Therefore, this study investigates the effect of mixing as one of the many factors that determines the growth of microalgae, Botryococcus sp. In addition, three different methods to estimate the growth (in terms of cell density or biomass) will be utilized. Three different treatments on the effect of mixing were employed (T1 using aeration; T2 manual hand shake two times daily; T3 no aeration and shaking) for these experiments. The experiment was carried out under outdoor conditions with temperature ranging from 25.8°C to 35.5°C, light intensity from from 200 Lux to 18000 Lux and pH of 7 to 8 units for 24 days using Bold basal medium (BBM) as growth media. Microalgae biomass was estimated by optical density, chlorophyll a and cell count using haemocytometer. The highest density of Botryococcus sp. was achieved (10.74 x 106 cell ml-1day-1; OD of 3.246 at 680nm; 0.7843 mg L-1day-1 chlorophyll a) with aeration. Whereas, the lowest (2.78 x 106 cell ml-1day-1; od 1.007 (680nm); chlorophyll a 0.1586 mg L-1day-1) and (3.07 x 106 cell ml-1day-1; od 0.999 (680nm); chlorophyll a 0.1545 mg L-1day-1) with shaking and no aeration, respectively. There exist a positive linear relationship between cell counting and optical density (R2=0.96); cell count and chlorophyll a (R2=0.95); and optical density and chlorophyll a (R2= 0.98) were observed. The result of this study suggested that constant aeration is required by the microalgae, Botryococcus sp. for growth in terms of cell density and biomass.
The significant contribution of HONO to secondary pollutants during a severe winter pollution event in southern China

Abstract. Nitrous acid (HONO) can strongly affect atmospheric photochemistry in polluted regions through the production of hydroxyl radicals (OHs). In January 2017, a severe pollution episode occurred in the Pearl River Delta (PRD) of China, with maximum hourly PM2.5, ozone, and HONO levels reaching 400 µg m−3, 150 ppb, and 8 ppb, respectively, at a suburban site. The present study investigated the sources and processes generating such high HONO concentrations and the role of HONO chemistry in this severe winter episode. Four recently reported HONO sources were added to the Community Multiscale Air Quality (CMAQ) model, including RH-dependent (relative humidity) and light-enhancing effects on heterogeneous reactions, photolysis of particulate nitrate in the atmosphere, and photolysis of HNO3 and nitrate on surfaces. The revised model reproduced the observed HONO and significantly improved its performance for O3 and PM2.5. The model simulations showed that the heterogeneous generation on surfaces (with RH and light effects) was the largest contributor (72 %) to the predicted HONO concentrations, with the RH-enhancing effects more significant at nighttime and the light-enhancing effects more important in the daytime. The photolysis of total nitrate in the atmosphere and deposited on surfaces was the dominant HONO source during noon and afternoon, contributing above 50 % of the simulated HONO. The HONO photolysis was the dominant contributor to HOx production in this episode. With all HONO sources, the daytime average O3 at the Heshan site was increased by 24 ppb (or 70 %), compared to the simulation results without any HONO sources. Moreover, the simulated mean concentrations of TNO3 (HNO3+ fine particle NO3-) at the Heshan site, which was the key species for this haze formation, increased by about 17 µg m−3 (67 %) due to the HONO chemistry, and the peak enhancement reached 55 µg m−3. This study highlights the key role of HONO chemistry in the formation of winter haze in a subtropical environment.
Assessment of Bottled Drinking Water Quality in Baghdad Local Market by Some Chemical and Biological Parameters

The aim of this work is to study different parameters of bottled drinking water that affect the health of people of Baghdad city. To perform this target, seventeen bottled samples were collected from local markets which were different bottles size and trade markets. The samples were analyzed physical, chemical and biological factors that influence water quality of the bottled water. The physical and chemical tests of bottled water showed that the mean value of pH ranged from 6.96-8.5, Total Dissolved Solids (TDS) 8-166 ppm, Total Hardness (TH) 22-178 ppm, Calcium (Ca++) 0.0-35 ppm, Magnesium (Mg++) 0.0-30 ppm, Chloride (Cl-) 0.0-27 ppm, sodium (Na+) 0.0-25 ppm, potassium (K+) 0.0-4.5 ppm, Electrical Conductivity (Ec) 16-332 µs/cm. All samples were within the permissible limits for Iraqi criteria and standards for bottled water. The biological parameters include: total plate count, total coliform, fecal coliform, E.coli and yeast& fungi. The failure percentages of samples were 23.5, 11.7, 11.7, 11.7 and 11.7% respectively.
Mineral deficiencies effect on resistance-related enzymes activities in tomato leaves

Abstract Crop yield and quality are limited by different biotic and abiotic factors. This study focused on the ability of phenylalanine ammonia-lyase, ascorbate peroxidase and polyphenol oxidase to impart resistance to mineral deficiencies. Tomato plants (Lycopersicon esculentum L.) were grown for 48, 72 and 96 hr with different specific deficiencies of minerals, including Mg2+, Ca2+, Fe2+, PO42−, K+, NO3− and SO42−, and then the soluble protein content and enzymatic activities (phenylalanine ammonia-lyase, polyphenol oxidase and ascorbate peroxidase) were analyzed. The impact of the mineral deficiencies varied in the tomato leaves. Mineral deficiencies that caused early significant protein accumulation were detected in tomato leaves grown in hydroponic cultures deficient in Ca2+, PO42− and NO3− after 48, 72 and 96 hr of incubation, whereas the soluble protein level was drastically reduced in tomato leaves grown in cultures deficient in Mg2+, Fe2+, K+ and SO42− that reveal remarkable time-dependent increase in resistance-related enzymes' activities. The resistancerelated enzymes' activities were not correlated with the soluble protein levels. These findings suggest that these activities depend on the amount of foliar nutrients, particularly Mg2+, Fe2+, K+ and SO42−. These nutrients act synergistically on the phenolic compound biosynthesis and degradation-dependent enzymes, and this synergistic process could be considered as a mechanism of acclimation for plants against specific mineral deficiencies.
Hygienic Behavior of Apis mellifera and Its Relationship with Varroa destructor Infestation and Honey Production in the Central Highlands of Ecuador

Simple Summary The honey bee (Apis mellifera) is an insect that has a relevant role in natural and agricultural ecosystems due to its leading role in the pollination of crops that are part of humanity’s food chain. Even in the face of the modernization and the intensification of agriculture, the honey bee has maintained its economic importance due to the value generated by its products. At present, when attempting to improve the characteristics of bees, it is important to evaluate variables such as hygienic behavior, Varroa infestation rates, and honey production as a basis for improvement plans in search of increasing productive yields at altitudes 2600 m above sea level (m.a.s.l.). The strength of bees against parasites, and therefore the better development of their colonies, was determined, resulting in a healthy colony with an increase in honey production. The altitude and the hygienic behavior of bees in the central highlands showed an inverse relationship. There was no relationship between infestation rates and production; it is proposed that environmental factors do not modulate Varroa levels or honey production. Abstract The aim of this research was to analyze the relationship among hygienic behavior (HB), Varroa destructor infestation, and honey production in the central highlands of Ecuador. Overall, 75 honey bee colonies were evaluated before, during, and after production at three altitude levels (2600–2800, 2801–3000, and >3000 m.a.s.l.). The hygienic behavior percentage of the colonies was determined by the pin-killing method, and the colonies were classified into three groups: high HB (>85%), mid HB (60.1–85%), and low HB (≤60%). Varroa infestation was diagnosed as well, and honey production was evaluated only during production. HB was high and heterogeneous, averaging 80% ± 9.7%. Its highest expression was observed at lower altitudes. The infestation degree was low (3.47% ± 1.56%), although the mite was detected in all colonies upon sampling. A negative correlation was observed between HB and Varroa infestation in the first sampling (−0.49 **), suggesting that the high- and mid-altitude HB colonies underwent the lowest infestation rates, regardless of sampling. The correlations between HB and production were significant (0.26 *), indicating a positive effect of HB on production, meaning that colonies with high HB obtained the highest honey production (25.08 ± 4.82 kg/hive). The HB of bees showed an inverse relationship with altitude and it tended to reduce the effect of Varroa infestation, favoring honey production and, thus, suggesting the feasibility of selecting colonies with high HB.