Miracle-dz/UniFAR-FTUs huggingface dataset:
Control of Packing Order of Self-Assembled Monolayers of Magnetite Nanoparticles with and without SiO2 Coating by Microwave Irradiation

A close packed layer of Fe3O4 and SiO2-coated Fe3O4 nanoparticles can be assembled on silicon and glass substrates modified with polyelectrolytes following the principle of the layer-by-layer self-assembly (Science 1997, 277, 1232). Microwave (MW) treatment of the poly(dimethyldiallylammonium chloride) layer prior to the nanoparticle adsorption results in substantial reduction of the surface roughness of the particulate films. This effect is attributed to reduction of the length of partially desorbed segments of macromolecules protruding into the aqueous phase at a distance of about 70 nm as estimated from force−distance curves. Aggregation of nanoparticles on these segments is responsible for a relatively high degree of disorder in layer-by-layer self-assembled films. A brief MW exposure results in cross-linking of polyelectrolyte chains. This substantially reduces the number of loose segments, and improves 2D packing of nanoparticles. For optimized conditions, the rms roughness, R, of magnetite self-ass.
ABSORPTION AND SCATTERING COEFFICIENTS OF TITANIUM DIOXIDE PARTICULATE SUSPENSIONS IN WATER

Precise kinetic studies of photocatalytic reactions in solid catalyst water suspensions require the accurate description of the radiation fieldlight distributioninside the reactor. Solution of the radiative transport equation (RTE) inside the reaction is one of the best ways of accessing to such information. For solving this equation, a minimum of two parameters (the absorption and scattering coefficients) and one scattering spatial distribution function (the phase function) are needed. These attributes are directly associated with the optical behavior of the reacting system and are not independent of catalysts more conventional properties. A complete report on the physical and optical characteristics of titanium dioxide particulate suspensions in water is presented. Results were obtained for six different commercially available powders. The investigated parameters were (i) size of elementary particles, (ii) size of particle aggregates in water suspensions, (iii) specific surface area, (iv) spectral extin.
Effects of Whey Permeate‐Based Medium on the Proximate Composition of Lentinus edodes in the Submerged Culture

: Biomass production, crude water-soluble polysaccharide (WSP), ash content, mineral profile, and crude protein content were determined for Lentinus edodes mycelia grown on whey permeate (WP)-based medium with lactose content of 4.5% or defined synthetic medium, and harvested after 5, 10, 15, or 20 d of fermentation at 25 °C. Harvesting time and the type of media interact to alter the chemical content of mycelia. Mycelia grown in WP had greater (P < 0.05) WSP and ash than mycelia grown in the synthetic media. A maximum production of WSP was obtained on the 10th day (4.1 × 102± 71 mg WSP/g dried mycelia) from mycelia grown on the WP-based media. Mycelia grown on WP harvested on the 20th day had the highest value in ash content (18 ± 3%). Potassium was found to be the main constituent in the ash of mushroom mycelia, which was followed by phosphorus, sodium, calcium, and magnesium. A steady increase of ash content was only noted in mycelia grown on WP. The calcium content of WP-grown mycelia was at least 10 times higher compared to mycelia grown in the control media regardless the harvesting time. Data in this research suggested that WP was more favorable than the synthetic media in the production of WSP, which is traditionally known for their medicinal value in L. edodes.
Humidity sensitive properties of copolymer of quaternary ammonium salt with polyether–salt complex

Quaternized and salt-doped copolymer of 2-(dimethylamino) ethyl methacrylate (DMAEMA) with poly(ethylene glycol) methyl ether methacrylate (PEGMEMA) was used to prepare resistive thin film humidity sensors. Their humidity sensitive properties have been characterized. The effects of the proportion of the comonomer and the amount of doped salt on the humidity sensitive properties of quaternized and salt-doped copolymer have been investigated. The humidity sensitive mechanisms of two different monomer structural units in the copolymer were discussed. The sensors based on the copolymers with different proportions of the comonomers exhibit a variety of conductivity and sensitivity for different humidities. Especially, the sensors exhibit high conductivity even at very low humidity. It is proposed that the good humidity sensitive properties are related to the introduction of salt-doped PEGMEMA in the copolymer. Copyright © 2009 John Wiley & Sons, Ltd.
Crystal nucleation and growth in lithium diborate glass by thermal analysis

The kinetics of nucleation and crystal growth in a Li2B4O7 glass were investigated using differential thermal analysis (DTA) and differential scanning calorimetry (DSC). This melt forms a glass even when it is cooled at a very slow rate (2 K/min). The temperature range of nucleation was determined by comparing the heights of the exothermic DTA crystallization peaks for samples that were annealed at different temperatures for a fixed time (10 min). Nucleation for this glass occurred in the temperature region of glass transition, where the nucleation rate had a maximum value at ∼770 K. The real detectable enthalpy change that was due to crystallization occurred at temperatures well above the temperature range for nucleation; hence, the temperature regions for nucleation and crystal growth were assumed to be well separated. The glass sample with an almost-saturated number of nuclei, which was prepared by annealing at a temperature of 770 K for 10 min while the melt was cooled, was subjected to DSC measurements at various heating rates (φh). The kinetics of crystal growth were analyzed via the conventional isoconversion method. For the sample without any annealing treatment, the number of nuclei for growth varied, depending on the thermal histories within the temperature region for nucleation, which was characterized by the linear cooling rate (φc) of the melt and the linear heating rate φh of the glass. A kinetic approach that considered the dependence of the number of nuclei on φc and φh was applied to the crystal growth in the nonannealed glass. The three-dimensional growth of the preexisting nuclei with apparent activation energies (E) of 315.6 ± 4.6 kJ/mol for the annealed glasses and 300.6 ± 9.5 kJ/mol for the nonannealed glasses was determined. This agreement in the values of E indicates that the change in the number of nuclei, depending on φc and φh, can be treated successfully by the present kinetic approach for crystal growth.
SCHOOLS AS OPPORTUNITY FOR ORAL HEALTH PROMOTION: EXISTING STATUS IN INDIA

Puneet Chahar1, Meena Jain2, Ankur Sharma3, Nisha Yadav1, Parul Mutneja4, Vishal Jain5 From 1Senior Lecturer, 2Reader in-Charge and Head, 3Tutor, Department of Public Health Dentistry, Manav Rachna Dental College, Faridabad, Haryana, 4Dental Officer, Safdarjung Hospital and Vardhman Mahavir Medical College, 5Postgraduate Student, Department of Pedodontics and Preventive Dentistry, Institute of Dental Studies and Technologies, New Delhi, India Correspondence to: Dr. Puneet Chahar, Department of Public Health Dentistry, Manav Rachna Dental College, Faridabad 121 004, Haryana, India. E-mail: puneetchahar@rocketmail.com Received 24 June 2018 Initial Review 15 July 2018 Accepted 10 August 2018
Monitoramento do uso da terra e dos níveis de nutrientes do solo no Sistema Integrado de Produção Agroecológica utilizando geoprocessamento

Sistemas de producao com base agroecologica sao mais complexos que os convencionais. A heterogeneidade e uma regra nesses sistemas, pois muitas culturas se sucedem no tempo e no espaco, compondo assim, alta biodiversidade. A compreensao desses sistemas requer analises de carater sistemico e, portanto, necessita de ferramentas compativeis. Da mesma forma, estudos de fertilidade do solo, que consideram a heterogeneidade espacial e temporal sao imperativos para se compreender a dinâmica dos nutrientes. O presente estudo foi conduzido no Sistema Integrado de Producao Agroecologica - SIPA, uma area que vem sendo manejada organicamente por catorze anos, situada no municipio de Seropedica RJ. O primeiro capitulo constou do estudo do uso da terra, entre 2003 e 2005. Foram feitos registros trimestrais do uso das glebas, gerando doze mapas de uso. As informacoes contidas nesses mapas foram processadas de forma a gerar tres novos mapas: (a) riqueza de especies cultivadas; (b) intens idade de pousio e (3) utilizacao de leguminosas. Foi verificada alta riqueza de especies cultivadas, havendo algumas glebas com ate 40 especies vegetais. Porem, esta diversidade encontra-se desuniformente distribuida no terreno. Houve uma alta intensidade de uso da terra, sendo o periodo de pousio, em grande parte, relativamente curto, ou seja, de ate tres meses, em tres anos. Nesses casos, predominaram cultivos anuais. O uso de leguminosas, no sistema, foi menor nas glebas de cultivos anuais e estava desuniformemente distribuido no terreno. O segundo capitulo teve como objetivos: (1) gerar mapas da distribuicao espacial de MO, pH. Ca++, trocavel, Mg++ trocavel e K++ trocavel em quatro glebas selecionadas do SIPA, para as camadas de 0 a 20 e de 20 a 40 cm, nos anos 2004 e 2005; (2) avaliar a evolucao dos teores daqueles elementos nos dois anos; (3) avaliar a diferenca de teores entre as camadas 0- 20 cm e 20-40 cm; (4) gerar dois mapas de fertilidade potencial quimica , um para cada ano, combinando-se os mapas de todos os nutrientes, para a camada de 0 a 20 cm e (5) gerar dois mapas de potencial de perda/acumulo de nutrientes, um, pela combinacao dos mapas de evolucao da fertilidade e outro, pela combinacao dos mapas de potencial de 2005 e 2004. Os resultados indicaram niveis dos nutrientes, na faixa de alto a muito alto, na maioria da extensao da area de estudo, nos dois anos, indicando que o manejo do SIPA, nos catorze anos, desde a sua criacao, tem construido a fertilidade do solo. No entanto, detectou-se uma tendencia de diminuicao dos niveis de nutrientes de 2004 para 2005. O potencial de perda coincide com area de alta intensidade de uso, entretanto a area controle, de uso minimo, tambem indicou perdas, contudo em proporcoes menores.
Efficacy of Electrolyzed Water and Aqueous Chlorine Dioxide for Reducing Pathogenic Microorganism on Chinese Cabbage

Seong Soon Park, Jung Min Sung, Jin Woong Jeong, Kee Jai Park, and Jeong Ho Lim*Korea Food Research InstituteAbstract This study evaluated the efficacy of strong acidic electrolyzed water (SAcEW), low alkaline electrolyzed water(LAlEW) and aqueous chlorine dioxide (ACD) for reducing pathogenic bacteria(Escherichia coli, Bacillus cereus,Salmonella Typhimurium, Stapylococcus aureus) on Chinese cabbage. Artificially inoculated Chinese cabbage wasimmersed for 1, 5 and 10 min with TW, NaClO, EW and ACD. Generally, leaves showed more effective reduction thanstems. Regarding the inhibitory effect, ACD treatment showed the highest effects rather than other treatments. WhenChinese cabbage was immersed for 3 min in sterilized water, it was reduced to a minimum of 1.33 log CFU/g at LAlEWand a maximum of 4.70 log CFU/g at ACD. Compared to NaClO, ACD and LAlEW which showed a reduction of 3.2log CFU/g (Sal. Typhimurium) and 2.7 log CFU/g(B. cereus), respectively. Furthermore, the others had similar inhibitoryeffects compared to NaClO.Keywords: electrolyzed water, aqueous chlorine dioxide, pathogenic bacteria, Chinese cabbage, sterilization effect
Structure and dynamics of peptides : theoretical aspects of protein folding

Een eiwit is een keten van residuen (gebaseerd op de twintig natuurlijk voorkomende aminozuren), verbonden door peptide bindingen. Elk eiwit heeft een specifieke volgorde van residuen en als gevolg daarvan een specifieke ruimtelijke structuur. In tegenstelling tot de meeste andere polymeren, is de structuur van een eiwit in oplossing (voor zover bekend) vrij rigide. Dit wil zeggen dat er meestal een enkele structuur is, die alleen verstoord wordt door locale fluctuaties; de grootte van die fluctuaties is moeilijk experimenteel te bepalen. Zie: Samenvatting
Nano‐Level Mixing of ZnO into Poly(methyl methacrylate)

A simple, facile and versatile approach is presented for the preparation of PMMA/ZnO nanocomposite materials, which possess high transparency, no color, good thermal stability, UV absorption and improved mechanical properties. The employed process involved mixing of ZnO nanoparticles dispersed in DMAc with the PMMA matrix dissolved in the same solvent. The effect of ZnO content on the physical properties of the PMMA matrix is studied. A significant improvement in mechanical properties was observed with the incorporation of 0.5 wt. -% ZnO particles. The beauty of the described approach lies in the fact that despite being a simple and facile approach, it offers nano-level (2―5 nm) mixing of ZnO nanoparticles into a polymer matrix.
DFT Study on Ce-Doped Anatase TiO2: Nature of Ce3+ and Ti3+ Centers Triggered by Oxygen Vacancy Formation

A systematic study of TiO2 anatase, Ce-doped TiO2 anatase with 2.8 and 5.6% dopant concentration and of the systems resulting from oxygen vacancy formation has been carried out by means of periodic density functional theory based calculations using PBE, PBE+U, and hybrid functionals. For each approach, several situations are considered for the oxygen vacancy formation, differing on the position of the removed oxygen or on the resulting electronic structure. The hybrid B3LYP functional and PBE+U approaches provide a physically meaningful description of localized d and f electrons in Ti3+ and Ce3+ species, respectively. Nevertheless, quasi-degenerate solutions were encountered featuring either fully localized spin (simple and split) or partially localized spin. Although standard PBE calculations result always in fully (unphysical) delocalized solutions, the most stable geometry thus predicted, in which Ce is six-coordinated and VO folded by 3[TiO5], is in agreement with the B3LYP and PBE+U results. The pres.
Caffeic acid: a review of its potential use in medications and cosmetics

Besides powerful antioxidant activity, increasing collagen production and prevention of premature aging, caffeic acid has demonstrated antimicrobial activity and may be promising in the treatment of dermal diseases. The relevance of this study is based on the use of caffeic acid that has become increasingly common in humans. Thus, studies that demonstrate and clarify the functions of this substance are very important.
Reinvestigation of the Mechanism of the Free Radical Polymerization Photoinitiation Process by Camphorquinone–Coinitiator Systems: New Results

Summary: Comparative studies of photoinitiation processes using camphorquinone (CQ) and benzophenone (BP) as light absorbers were performed. The experimental results show that after the transformation of (phenylthio)acetic acid (PTAA) into its tetrabutylammonium salt (PTAA AS), a substantial decrease of the polymerization photoinitiation ability for the CQ–PTAA AS pair in comparison to the CQ–PTAA pair is observed. The mechanism of the photoinitiated polymerization for the tested photoredox pair was clarified based on laser flash photolysis experiments obtained using benzophenone as an electron acceptor and (phenylthio)acetic acid and its tetrabutylammonium salt as electron donors in solution in MeCN. It is documented and deduced that the photoreduction of benzophenone in the presence of (phenylthio)acetic acid and its tetrabutylammonium salt occurs by a photoinduced electron transfer process, while for CQ as initiator, the free radicals are formed by hydrogen atom abstraction by the triplet state of camphorquinone. Schematic of the transients formed after an electron-transfer process for benzophenone–PTAA and benzophenone–PTAA AS pairs.
SYNTHESIS, CRYSTAL STRUCTURE, AND TRANSESTERIFICATION REACTION OF THE β-PROPOXYCARBONYLETHYLTIN TRICHLORIDE COMPLEX WITH DIBENZYLSULFOXIDE

Synthesis, crystal structure and transesterification reaction of the β-propoxy-carbonylethyltin trichloride complex with dibenzylsulfoxide have been reported and a possible mechanism for the transesterification has been suggested. A series of the complexes of β-alkoxycarbonylethyltin trichloride with dibenzylsulfoxide have been synthesized and characterized by means of elemental analyses, IR, and 1H NMR spectra.
Laboratory Studies on Remediation of Chromium-Contaminated Soils

Soil washing processes and in-situ immobilization techniques have been often-suggested technologies for remediation of soils contaminated with heavy metals such as chromium. Laboratory batch extraction studies were conducted with synthetically contaminated soils [with Cr(VI)] to determine the ability of extractants such as 0.12 M Na4P2O7, 0.1 M NaF, and 1.0 M HCl to remove chromium from three types of soils with varying soil pH (5.8–8.1), organic matter (1.0–5.0%), and clay content (10–35%). Up to 73% of the total chromium present in the synthetically contaminated soil was removed by 0.12 M Na4P2O7. The synthetically contaminated soils were also treated with FeSO4 and NaOH solutions to immobilize chromium and investigated for leachability of Cr by Cr-free water. Up to 80% of the chromium could be retained in the soil following the immobilization process. The presence of soil organic matter and clay content enhanced the immobilization of chromium in both chromium flushing and immobilization experiments.
Synthesis of nano-Li4Ti5O12 decorated on non-oxidized carbon nanotubes with enhanced rate capability for lithium-ion batteries

In this study, we report a facile strategy for the synthesis of Li4Ti5O12 nanoparticles (15–20 nm) uniformly decorated on non-oxidized carbon nanotubes (CNTs) for use as the anode material in Li-ion batteries. In the newly designed microwave solvothermal synthesis, the CNTs were used to selectively heat a substrate for facilitating the preferential precipitation of nanoparticles. The resulting sample delivered a reversible capacity of 172 mA h g−1 at 1 C-rate and showed remarkable rate capability by maintaining 60% of the capacity at 60 C-rate (vs. 1 C-rate).
Red wine astringency: a review

The chemical and physical basis for red wine astringency is reviewed. Models describing the physiological foundation of astringency are presented and compared. The phenolic and other red wine components that evoke astringency are described, together with their sensory properties and the factors that affect their perception. The paper also presents a detailed account of the chemical properties of saliva and the possible modes of interaction between these and red wine phenolics that lead to the necessary physical changes in saliva required to elicit astringency. Reasons for differences in astringency perception across oral sites and amongst individual tasters are also discussed. It is concluded that whilst great advances have been made in the field of red wine phenolic chemistry in recent years, a better understanding of the effect of wine polyphenol‐salivary protein interaction on the rheological properties of saliva is required in order to gain a comprehensive understanding of red wine astringency.
Fabrication of M3+-Substituted and M3+/V5+-Cosubstituted Bismuth Titanate Thin Films [M=lanthanoid] by Chemical Solution Deposition Technique

Lanthanoid (M3+=La3+, Pr3+, Nd3+ and Sm3+)-substituted and lanthanoid/vanadium (V5+)-cosubstituted bismuth titanate thin films were fabricated on (111)Pt/Ti/SiO2/(100)Si substrates by a chemical solution deposition (CSD) technique. All the films consisted of a polycrystalline structure with random crystal orientation. Pr3+, Nd3+ and Sm3+-substituted BIT films [BPT, BNT and BST] had larger remanent polarization (Pr) values than that of conventional La3+-substituted BIT film [BLT]; furthermore, the Pr value of the BNT film was higher than those of the BPT and BST films. On the other hand, no significant difference in the coercive field (Ec) value was found among those films. Pr and Ec values of the BNT film with y=0.50 in (Bi4.00-y, Ndy)Ti3.00O12 were measured to be 32 µC/cm2 and 126 kV/cm, respectively. V5+-substitution varied the Pr value of the lanthanoid-substituted BIT films without changing the in Ec value. The Pr value of the BNT film with y=0.50 was improved up to 37 µC/cm2 by V5+-substitution of x=0.02 in (Bi4.00-y, Ndy)1-(x/12)(Ti3.00-x, Vx)O12 [BNTV]. Ferroelectric properties of the Pb-free polycrystalline BNT and BNTV films are comparable to those of conventional Pb-based ferroelectric films such as lead zirconate titanate [PZT] films.
Magnetic Nanocomposites: A New Perspective in Catalysis

In recent years, the synthesis and applications of magnetic nanoparticles (MNPs) have attracted increasing interest in catalysis research, and MNP‐derived catalysts have been employed in such industrially important reactions as hydrogenation, hydroformylation, Suzuki–Miyaura and Heck couplings, and olefin metathesis. The hybrid nanocomposite species display sustainable catalytic activities and great advantages concerning catalyst recycling processes. A number of examples using these innovative hybrids in catalysis have been reported with promising results. This Minireview primarily addresses recent catalytic applications of magnetic nanocomposites, including a discussion of the synthetic methodologies that are commonly used.
Effects of crosslinking time and amount of sulfophthalic acid on properties of the sulfonated poly(vinyl alcohol) membrane

A proton-exchange membrane for a direct methanol fuel cell was prepared by modifying the chemical structure of poly(vinyl alcohol) (PVA) via a sulfonation. The sulfonation was carried out by using sulfophthalic acid (sPTA) as a sulfonating agent. The sulfonated PVA membranes, with a variety of degrees of substitutions, were obtained by varying the crosslinking time and the amount of sulfonating agents. The chemical structure and thermal stability of the sulfonated PVA were characterized by using FTIR and thermogravimetric analysis techniques, respectively. The ion-exchange capacity (IEC) and water uptake of the sulfonated membranes was evaluated by titration and gravimetry techniques, respectively. It was found that the IEC of the membrane increased with the amount of sPTA. Water uptakes of the membranes could either decrease or remain unchanged with the crosslinking time, depending on the amount of the sulfonating agent used. Methanol permeability values of the membranes treated with 10% sPTA were relatively low, comparing with that of the Nafion 115 membrane. Proton conductivity values of the sulfonated PVA membranes ranged between 0.024 and 0.035 S/cm and they did not remarkably change with the crosslinking time. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 1931–1936, 2006