Miracle-dz/UniFAR-FTUs huggingface dataset:
Physicochemical processes involved in migration of bisphenol A from polycarbonate

Results of experiments, conducted by different polycarbonate (PC) producing companies, on migration of bisphenol A (BPA) from PC into different liquids, were supplied to the author for compilation, review, and discussion. The observed BPA migration levels were found to be nearly independent of the concentration of residual BPA in the PC resins. Hydrolysis of PC is the dominant mechanism responsible for the release of BPA from the polymer surface into the contacting aqueous liquid. Experiments with PC spiked with deuterated BPA revealed that diffusion-controlled migration play a minor role in the overall release of BPA from PC. The influence of a number of experimental parameters on the migration of BPA into aqueous liquids was studied. Factors found to be of importance included the temperature, pH, and ozone concentration of the liquids, as well as the surface ageing of the PC. All of the BPA migration levels obtained from experiments performed under standard conditions as given in the EU legislation and its associated guidance documents were found to be well below the EU specific migration limit of 600 μg/kg food which applies to plastics in contact with foodstuffs (EU Directive 2002/72/EC as amended). Migration is lower in oil than in the aqueous food-simulants water, 3% acetic acid, and 10 or 50% ethanol. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
The interaction between sugar-based surfactant with zigzag single-walled carbon nanotubes: insight from a computational study

A promising new development in therapeutic nanomedicine includes drug and biomolecule delivery system using carbon nanotubes dispersed in surfactant, such as glycolipid. To study the interaction between carbon nanotube and surfactant, here we report on a density functional theory (DFT) calculation at the B3LYP/6-31G level of theory performed for the purpose of predicting the reactivity governing the nucleophilic and electrophilic attacks on the external surface of a single-walled carbon nanotube (SWNTs). The DFT-based local reactivity descriptor, Fukui function, local softness and dual reactivity have been examined to predict the reactivity of different carbon atom sites of the SWNTs understudy. In addition, binding energy, high occupied molecular orbital (HOMO), lowest occupied molecular orbital (LUMO) and energy difference between carbon nanotube and the complex (SWNT-surfactant) are determined. The computational results predicted that glycolipid, as a non-ionic surfactant, could result in a strong interaction on the surface of the SWNT in both gas and aqueous phases.
Review on Recent Progress in Nitrogen-Doped Graphene: Synthesis, Characterization, and Its Potential Applications

Nitrogen doping has been an effective way to tailor the properties of graphene and render its potential use for various applications. Three common bonding configurations are normally obtained when doping nitrogen into the graphene: pyridinic N, pyrrolic N, and graphitic N. This paper reviews nitrogen-doped graphene, including various synthesis methods to introduce N doping and various characterization techniques for the examination of various N bonding configurations. Potential applications of N-graphene are also reviewed on the basis of experimental and theoretical studies.
Genotype-phenotype correlations in central precocious puberty caused by MKRN3 mutations.

CONTEXT Loss-of-function mutations of makorin RING finger protein 3 (MKRN3) are the most common monogenic cause of familial central precocious puberty (CPP). OBJECTIVE To describe the clinical and hormonal features of a large cohort of patients with CPP due to MKRN3 mutations and compare the characteristics of different types of genetic defects. PATIENTS/METHODS Multiethnic cohort of 716 patients with familial or idiopathic CPP screened for MKRN3 mutations using Sanger sequencing. A group of 156 Brazilian girls with idiopathic CPP (ICPP) was used as control group. RESULTS Seventy-one patients (45 girls and 26 boys from 36 families) had 18 different loss-of-function MKRN3 mutations. Eight mutations were classified as severe (70% of patients). Among the 71 patients, first pubertal signs occurred at 6.2 ± 1.2 years in girls and 7.1 ± 1.5 years in boys. Girls with MKRN3 mutations had a shorter delay between puberty onset and first evaluation and higher FSH levels compared to ICPP. Patients with severe MKRN3 mutations had a greater bone age advancement compared to patients with missense mutations (2·3 ± 1·6 vs. 1·6 ± 1·4 years, p = 0.048), and had higher basal LH levels (2·2 ± 1·8 vs. 1·1 ± 1·1 UI/L, p=0.018) at the time of presentation. Computational protein modeling revealed that 60% of the missense mutations were predicted to cause protein destabilization. CONCLUSIONS Inherited premature activation of the reproductive axis caused by loss-of-function mutations of MKRN3 is clinically indistinct from ICPP. However, the type of genetic defect may affect bone age maturation and gonadotropin levels.
Improvement of Adhesion and Continuity of Polypyrrole Thin Films Through Surface Modification of Hydrophobic Substrates

ABSTRACT: Conducting polymer polypyrrole is reported to have a poor adhesion to substrate which limits its applicability asthin films. In this article, we report synthesis of well-formed and continuous film of polypyrrole through treatment of hydropho-bic substrates. However, in place of the widely used organosilanes, the substrates were simply treated with surfactant cetyl trime-thylammonium bromide (CTAB) prior to vapor phase polymerization under controlled environment. Polypyrrole films formedon CTAB pretreated substrates were found to have improved adhesion and continuity compared to the films formed onuntreated substrates. The improved adhesion results in better electronic properties as seen during Electron field emission studies.Based on contact angle analysis, we propose that CTAB molecules act as anchoring agents for the oxidant layer on the substrateand hence assist in the deposition of a more continuous polypyrrole film. V C 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 000:000–000, 2013
Optical measurement and fabrication from a Morpho-butterfly-scale quasistructure by focused ion beam chemical vapor deposition

The Morpho-butterfly wing reflects interfered brilliant blue, which originates from nanostructures on its scales, for any incidence angle of white light. We have fabricated a Morpho-butterfly-scale quasistructure using focused ion beam chemical vapor deposition and observed brilliant blue reflection from this quasistructure with an optical microscope. We measured the reflection from real Morpho-butterfly scales and from the quasistructure with a photonic multichannel spectral analyzer system. The reflection spectra of the quasistructure were very similar to those of Morpho-butterfly scales.
Gut Microbiome Composition Remains Stable in Individuals with Diabetes-Related Early to Late Stage Chronic Kidney Disease

(1) Background: Individuals with diabetes and chronic kidney disease display gut dysbiosis when compared to healthy controls. However, it is unknown whether there is a change in dysbiosis across the stages of diabetic chronic kidney disease. We investigated a cross-sectional study of patients with early and late diabetes associated chronic kidney disease to identify possible microbial differences between these two groups and across each of the stages of diabetic chronic kidney disease. (2) Methods: This cross-sectional study recruited 95 adults. DNA extracted from collected stool samples were used for 16S rRNA sequencing to identify the bacterial community in the gut. (3) Results: The phylum Firmicutes was the most abundant and its mean relative abundance was similar in the early and late chronic kidney disease group, 45.99 ± 0.58% and 49.39 ± 0.55%, respectively. The mean relative abundance for family Bacteroidaceae, was also similar in the early and late group, 29.15 ± 2.02% and 29.16 ± 1.70%, respectively. The lower abundance of Prevotellaceae remained similar across both the early 3.87 ± 1.66% and late 3.36 ± 0.98% diabetic chronic kidney disease groups. (4) Conclusions: The data arising from our cohort of individuals with diabetes associated chronic kidney disease show a predominance of phyla Firmicutes and Bacteroidetes. The families Ruminococcaceae and Bacteroidaceae represent the highest abundance, while the beneficial Prevotellaceae family were reduced in abundance. The most interesting observation is that the relative abundance of these gut microbes does not change across the early and late stages of diabetic chronic kidney disease, suggesting that this is an early event in the development of diabetes associated chronic kidney disease. We hypothesise that the dysbiotic microbiome acquired during the early stages of diabetic chronic kidney disease remains relatively stable and is only one of many risk factors that influence progressive kidney dysfunction.
Review of the applications of laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) to the analysis of biological samples

Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) has received significant attention over the last 10 years and has been widely used for the analysis of biological samples. The technique allows the determination of elements and isotopes in biological tissues and related materials with a spatial resolution typically ranging from 10 to 100 μm. When compared to other techniques usually employed to obtain bioimages, the greater advantage of LA-ICP-MS is its higher sensitivity. The literature survey over the last 10 years concerning the use of LA-ICP-MS for biological tissue analysis is reviewed in this article. Instrumentation, strategies of calibration for quantitative analysis, challenges and recent advances in this field are discussed. Applications of the isotope ratio (IR), including tracer experiments, and isotope dilution (ID), are reviewed for biological samples (briefly for proteins, in order to show the utility of LA-ICP-MS). Bioimaging methods, studies and applications for animal and plants tissues are emphasized, demonstrating the importance of bioimaging of metals and metalloids in biomedical research, bioaccumulation and bioavailability studies for ecological and toxicological risk assessment in humans, animals and plants. The usefulness of the IR associated with bioimaging for predicting geographical origin, habitat, movement of subjects, diet and lifestyle are also demonstrated.
Changes of Storability and Quality Characteristics of 'Autumn Sense' Hardy Kiwifruit According to Ethylene Treatment and Storage Condition

본 연구는 에틸렌 처리와 저장조건에 따른 '오텀센스' 다래의 저장성과 품질 변화를 조사하기 위하여 수행하였다. 다래의 저장 중 품질변화를 관찰한 결과, 48시간과 96시간동안 에틸렌을 처리한 모든 처리구에서 경도는 저장기간이 경과함에 따라 급격히 감소하였으나, 당도는 급격히 증가하였다. 산도는 모든 처리구에서 0.7~1.4%수준으로 나타났다. 저장기간 동안 다래의 중량감소율을 조사한 결과, 48시간동안 에틸렌을 처리하고 저장한 다래는 저장 24일 동안 $20^{\circ}C$ 저장구에서 30.9%로 가장 높았으며, $2^{\circ}C$ 에 상대습도 90%저장구에서 5.9%로 가장 낮게 나타났다. 96시간동안 에틸렌을 처리하고 저장한 다래는 저장 22일 동안 $20^{\circ}C$ 저장구에서 29.4%, $4^{\circ}C$ 저장구에서 20.7%, $2^{\circ}C$ 저장구에서 12.1% 그리고 $2^{\circ}C$ 에 상대습도 90%저장구에서 6.0% 감소하였다. 저장기간 동안 다래의 식미는 모든 처리구에서 증가하다 감소하였다. 특히 $20^{\circ}C$ 저장구는 저장 초기에 급격히 증가하다 감소하였고, $2^{\circ}C$ 에 상대습도 90%저장구는 저장 18일 후에 감소하였다. 부패율은 모든 처리구에서 저장기간 동안 증가하였으며, $20^{\circ}C$ 저장구는 저장 2일 후, $2^{\circ}C$ 에 상대습도 90%저장구는 16일부터 급격히 증가하였다. 따라서, $2^{\circ}C$ 에 상대습도 90%의 저장조건이 다래의 품질을 유지하는데 효과적일 것으로 판단되며, '오텀센스' 다래의 적정 저장조건과 후숙시기를 판단할 수 있을 것이라 생각된다. 【This study was investigated the changes of storability and quality characteristics of 'Autumn Sense' hardy kiwifruit according to ethylene treatment and storage condition. In the results of investigation of changes in hardy kiwifruit quality during storage period, hardness of ethylene treated hardy kiwifruit during 48 and 96 hours was rapidly decreased, but soluble solid content was rapidly increased with the passing of storage period in all treatment groups. The total acid was estimated from 0.7 to 1.4% with storage period in all treatment groups. In the results of investigation of the weight loss rate, ethylene treated hardy kiwifruit during 48 hours was the highest 30.9% in storage at $20^{\circ}C$ and lowest 5.9% in storage at $2^{\circ}C$ with a relative air humidity of about 90% during storage at 24 days. Ethylene treated hardy kiwifruit during 96 hours was decrease 29.4% in storage at $20^{\circ}C$ , 20.7% in storage at $4^{\circ}C$ , 12.1% in storage at $2^{\circ}C$ , and 6.0% in storage at $2^{\circ}C$ with a relative air humidity of about 90% during storage at 22 days. The taste of hardy kiwifruit during storage was reduced to increase in all treatment groups. Particularly, storage at $20^{\circ}C$ was rapidly reduced to increase in the early storage and storage at $2^{\circ}C$ with a relative air humidity of about 90% was decrease after storage at 18 days. The rotten rate during storage was increased in all treatment groups, storage at $20^{\circ}C$ was after storage at 2 days and storage at $2^{\circ}C$ with a relative air humidity of about 90% was rapidly increased after storage at 16 days. Thus, it can be recommended that storage at $2^{\circ}C$ with a relative air humidity of about 90% is good to maintain quality. Also, we will decide optimal storage condition and after-ripening time of 'Autumn Sense' hardy kiwifruit. 】
Low frequency noise in Schottky barrier contacts of titanium nitride on n-type silicon

The electrical characteristics and the low frequency noise of Schottky contacts on n-type Si(100) have been systematically measured. The thin films were deposited by reactive magnetron sputtering at room temperature. Based on a model of a parallel combination of an ideal diode of current and a generation-recombination diode of current , we have extracted the contribution of both diodes to the measured total current I. Treating the two components and as different noise generators, we have analysed the observed white noise at high frequencies and the excess current noise at lower frequencies. The white noise is explained by using a pure shot noise for the component , by applying Gupta's general theorem on noise in non-linear driven devices for the component and by considering an additional noise generator with a Nyquist-type intensity. The excess current noise is explained by a model based on fluctuations of the generation-recombination current only. Analysis of the versus I data allowed us to determine the interface state density.
Statistical Mechanics of Multimolecular Adsorption II. Localized and Mobile Adsorption and Absorption

It is shown that the transition from localized to mobile adsorption (in the first adsorbed layer) takes place at rather low temperatures for potential barriers of around 1000 cal. /mole or less, so that localized physical adsorption should be a very rare phenomenon at the temperatures usually employed in adsorption experiments. Since the BET (and Langmuir) isotherm actually assumes localized adsorption, a new approximate isotherm equation is derived here on the basis of a mobile first layer obeying a two‐dimensional van der Waals' equation. This isotherm is in semiquantitative agreement with the two‐dimensional phase changes observed by Jura and co‐workers, and by earlier workers, at very low pressures. The localized‐mobile transition in the absorption of hydrogen by metals is mentioned briefly. The relationships between (1) the two‐dimensional equation of state of a monolayer, (2) the adsorption isotherm of the monolayer, and (3) the ordinary three‐dimensional equation of state of the gas being adsorbed a.
Performance of high‐power III‐nitride light emitting diodes

The performance of III‐nitride based high‐power light emitting diodes (LEDs) is reviewed. Direct color high‐power LEDs with 1 × 1 mm2 chip size in commercial LUXEON® Rebel packages are shown to exhibit external quantum efficiencies at a drive current of 350 mA ranging from ∼60% at a peak wavelength of ∼420 nm to ∼27% at ∼525 nm. The short wavelength blue LED emits ∼615 mW at 350 mA and >2 W at 1.5 A. The green LED emits ∼110 lm at 350 mA and ∼270 lm at 1.5 A. Phosphor‐conversion white LEDs (1 × 1 mm2 chip size) are demonstrated that emit ∼126 lm of white light when driven at 350 mA and 381 lm when driven at 1.5 A (Correlated Color Temperature, CCT ∼ 4700 K). In a similar LED that employs a double heterostructure (DH) insign instead of a multi‐quantum well (MQW) active region, the luminous flux increases to 435 lm (CCT ∼ 5000 K) at 1.5 A drive current. Also discussed are experimental techniques that enable the separation of internal quantum efficiency and extraction efficiency. One technique derives the internal quantum efficiency from temperature and excitation‐dependent photoluminescence measurements. A second technique relies on variable‐temperature electroluminescence measurements and enables the estimation of the extraction efficiency. Both techniques are shown to yield consistent results and indicate that the internal quantum efficiency of short wavelength blue (λ ∼ 420 nm) high‐power LEDs is as high as 71% even at a drive current of 350 mA. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Infrared Study of Ozone Adsorption on CeO2

Ozone (O3) adsorption on CeO2 pretreated under different conditions and characterized by low-temperature CO adsorption was studied by Fourier transform infrared (FTIR) spectroscopy at 77−300 K. Preliminary exposure to CO2, pyridine, acetonitrile, or methanol at 293 K or to CO at 77 K, as well as adsorption of 18O substituted O3 were used to clarify the nature of adsorption sites and the structure of the surface species. In addition to physisorption and weak H-bonding with the most acidic OH groups of the ceria surface, O3 forms coordinate complexes with two kinds of Lewis acid sites. These complexes have the bands of the ν1 and ν3 modes of O3 at 1096 and 1018−1015 cm-1, or 1104 and 1012−1008 cm-1, respectively. The coordinated O3 molecule is no longer symmetric but is bound to a surface Ce4+ ion via one of its terminal oxygen atoms. Basic surface sites of the samples pretreated at 773 K account for O3 decomposition, which occurs almost explosively at 77 K but could be inhibited if O3 adsorption is perform.
Formation of a metastable cubic phase in an immiscible Fe-Ag system by ion mixing

FexAg1-x (x=0.20-0.65) nano-multilayers were prepared by alternate deposition of pure Fe and Ag metals. The multilayers were then irradiated with 200 keV xenon ions at 77 K. A new metastable crystalline phase with cubic structure was observed in the irradiated samples when the xenon ion dose exceeded 1*1016 Xe+ cm-2 and the fraction of this new phase increased with ion dose.
Thermoelectric module made of perovskite cobalt oxides with large thermopower

We have fabricated a trial product of an oxide thermoelectric module using the perovskite cobalt oxides. The thermoelectric properties of the p- and n-leg materials are carefully controlled, and the room temperature thermopower is set to be larger than 200 μV/K. This module generates an open circuit voltage of 1.0 V with a small temperature difference of 170 K. At a large temperature difference of 399 K, it generates a substantial power of 40 mW, and the generated energy density is comparable with that of commercial solar cells.
Analytical models of thermal aberrations in massive mirrors heated by high power laser beams

We consider the problem of massive mirrors heated by intense laser sources. Heating occurs both by absorption in the silica substrate and by dissipation in the coating. In each case we derive original analytical models of the transient temperature and of the resulting thermal aberrations. Analytical formulas, based upon rapidly converging series, and numerical results are presented for the time dependent temperature and for the time dependent expansion of the aberrations in series of Zernike polynomials Nous traitons le probleme de l'echauffement des supermiroirs par des sources laser intenses. L'echauffement vient de l'absorption dans le substrat de silice ou de la dissipation dans les couches reflechissantes. Dans chacun de ces cas, nous construisons des modeles analytiques originaux pour la temperature transitoire et les aberrations thermiques qui en resultent. Nous presentons des formules analytiques, basees sur des series rapidement convergentes, et des resultats numeriques concernant l'evolution de la temperature, et le developpement des aberrations en series de polynomes de Zernike
THEORETICAL CALCULATIONS OF PHOTOSYNTHETIC PIGMENTS

Photosynthetic pigments gather light energy in antenna proteins and transform it into chemical energy in reaction center proteins. These are strongly absorbing molecules whose optical spectra, oxidation and reduction potentials, and cationic and anionic unpaired spin density distributions are readily ‘tuned’ by their environment and aggregation states. Their photophysical and chemical properties depend upon the energies and electron configurations of their valence orbitals. This review describes theoretical calculations on photosynthetic pigments that elucidate the electronic structure of ground and excited states, predict molecular properties for monomer and aggregated pigments, examine the effect the environmental factors such as axial ligation or hydrogen bonding upon those molecular properties, and predict geometries for aggregates. Theoretical treatments of chlorophylls (Chi)*, pheophytins (Pheo), bacteriochlorophylls (BChl), and bacteriopheophytins (BPh) published within the last few years are discussed. Electron transfer and excitation transfer mechanisms are not covered. These topics have been reviewed recently elsewhere (see for example, Budil et al . , 1987; Khairutdinov and Brickenstein, 1986; Jortner and Michel-Beyerle, 1985; Marcus and Sutin, 1985). There is no perfect molecular orbital theory. A given method usually gives reasonable results for several but not all molecular properties (for example, extended Hiickel theory predicts reasonable
Preparation of Nanocapsules with Alginate/Polylysine Complex Wall

This paper deals with a novel preparation method of nanocapsules with alginate/polylysine complex wall. The preparation method consisted of the following steps: dispersion of an aqueous sodium alginate solution into cyclohexane to give a W/O emulsion, preparation of calcium alginate gel beads by adding the emulsion into a calcium aerosol OT solution in cyclohexane, and alginate/polylysine complex wall formation on the surface of calcium alginate beads by adding the beads into an aqueous poly-L-lysine solution. The size of alginate/polylysine complex capsules thus prepared was found to be 100-500 nm. Moreover, an attempt was made to prepare much smaller capsules using a laboratory-made apparatus for electrocapillary emulsification and the capsule size could be reduced to about 40 nm.