Miracle-dz/UniFAR-FTUs huggingface dataset:
Liquid meniscus condensation in dip-pen nanolithography

The condensation of a liquid meniscus between a curved tip and a completely wetting substrate is theoretically studied in the context of dip-pen nanolithography (DPN). Utilizing the grand canonical Monte Carlo simulation of a two-dimensional lattice gas model, we studied the onset and broadening of menisci by tips with a range of curvatures. The tip–liquid interaction is characterized in terms of the wettability of the tip, and both wetting and drying tips are considered to mimic the various (hydrophilic and hydrophobic) ink molecule–water interactions possible in DPN. We study the microscopic details of the meniscus formation and examine the thermodynamic stability of the meniscus by focusing on the fluctuation in its width. After its initial formation, a meniscus grows continuously with increasing saturation (relative humidity), but the meniscus is typically wider than 10 molecular diameters until the saturation is sufficiently high that the entire interfacial region frills with liquid. For large tip–su.
Deactivation of Clumped and Dirty Spores of Bacillus globigii

Abstract Issues associated with deactivating clumped spores of a biological pathogen are discussed within the context of decontaminating a civil facility using reactive gases. It is argued that gases will prove necessary to fully complete a decontamination and restoration operation following contamination with a biological pathogen. This is simply due to the fact that pathogenic agents may have found their way into hidden and otherwise inaccessible spaces, such as air ducts and cracks, where liquid-based reagents may prove impractical to employ. Results are given for ozone de-activating both clumped and dirty spores of the pathogen surrogate B. globigii. Re-hydration of dry spores is found to gready enhance the effectiveness of ozone. The re-hydration process is found to require hours if moist air is employed as die source of water. At high relative humidity, capillary condensation of water within spore clumps is found to adversely effect the global deactivation rate in clumped spores. The cleanliness of the spores did not significantly affect the global kinetics. Using selected electronic materials, estimates of collateral damage induced by the reactive gas are also reported.
Molecular Structure-Based Prediction of the Partition Coefficients of Organic Chemicals for Physiological Pharmacokinetic Models

The objectives of the present study were (1) to develop and validate a methodology for predicting tissue:air (pt:a) and blood:air (Pb:a) partition coefficients (PCs) of organic chemicals from molecular structure information, and (2) to incorporate this methodology within physiologically based pharmacokinetic (PBPK) models to enable automated calculation of PCs from molecular structure information provided as input to the model. The proposed methodology involves (1) estimating n-octanol:water or oil:water (Po:w) PCs and water:air (Pw:a) PCs at 25°C of chemicals from their molecular structure information using previously validated fragment constant methods, (2) correcting for the temperature dependence of vapor pressures using the Clausius-Clapeyron equation to extrapolate the Pw:a to 37°C, and (3) incorporating these data along with data on volumes of neutral lipids, phospholipids, and water in tissues and blood in an algorithm to predict Pt:a and Pb:a. The predictions of rat and human Pt:a (liver, muscle,.
Comparable evaluation of various commercially available aluminium‐based coagulants for the treatment of surface water and for the post‐treatment of urban wastewater

In this study the efficiency of various commercially-available coagulants, ie alum and poly- aluminium chlorides (PACls), for the treatment of surface (river) water, or for the post-treatment of biologically pretreated urban wastewater were investigated. The different coagulants were comparatively evaluated, considering the removal of suspended solids (SS), natural organic matter (NOM), as well as the residual aluminium concentration, and the removal of phosphates (inorganic phosphorus), in the case of urban wastewater treatment. The dynamics of flocculation were also studied using a Photometric Dispersion Analyser (PDA) in order to compare the flocculation rates and the strength of different coagulant flocs. Finally, the optimum operational conditions, ie coagulant dosage, pH, temperature, duration and intensity of (initial) rapid-mixing rate, were determined for the examined cases. It can be generally supported that PACl coagulants were superior to alum, as they presented higher SS and NOM removal, stronger and larger flocs, higher flocculation rates and lower residual aluminium concentration, which is a very important factor, especially for the treatment of surface water destinated for potable use.  2005 Society of Chemical Industry
Effect of thermal process time on quality of "Shrimp Kuruma" in retortable pouches and aluminum cans

The effect of processing time on biochemical, sensory characteristics, and instrumental texture profiles of "Shrimp Kuruma" in retortable pouches and aluminum cans with equal pack weight and lethality was studied. Processing in pouches resulted in a 35% reduction in processing time compared to cans for equal lethality (F 0 8.0). Thermal processing resulted in a 14% loss of water in canned samples compared to 9% in pouched products. Thermal processing resulted in an increase in the volatile compounds and a decrease in the oxidation products in both canned and pouched saltuples. Products processed in pouches were rated as lighter in color, more succulent, and more desirable in firmness compared to products in cans. Chewiness and hardness showed a significant difference (P < 0.05) between the 2 treatments.
Physicochemical characterization of solid dispersions prepared using hot-melt extrusion technology

• Copyright is subject to the Copyright, Designs and Patent Act 1988, or as modified by any successor legislation • Copyright and moral rights for thesis content are retained by the author and/or other copyright owners • A copy of a thesis may be downloaded for personal non-commercial research/study without the need for permission or charge • Distribution or reproduction of thesis content in any format is not permitted without the permission of the copyright holder • When citing this work, full bibliographic details should be supplied, including the author, title, awarding institution and date of thesis
Crystallization of Amorphous SiO2 Microtubes Catalyzed by Lithium

Amorphous silica formed by thermally oxidizing silicon is commonly eligible for lithographic patterning or can be grown on patterned substrates. However, it is still a challenge to combine controlled microstructuring with controlled crystallization of SiO2. Here, it is shown that traces of volatile lithium species transported through the gas phase catalyze the crystallization of silica integrated into common silicon microstructures. The selected crystallization temperature determines which polymorph forms. As an example, the formation of quartz, tridymite, and cristobalite microtubes by thermally oxidizing macroporous silicon is investigated. Lithium‐induced crystallization may extend state‐of‐the‐art silicon technology and yield nano‐ and microstructures consisting of different silica polymorphs, which are, in contrast to many functional oxides, nontoxic.
Mechanisms of Aluminum Tolerance in Phosphoenolpyruvate Carboxylase Transgenic Rice

ABSTRACT Transgenic rice, in which C4-phosphoenolpyruvate carboxylase (PEPC) is overexpressed, was grown in hydroponic culture to evaluate its tolerance for high aluminum (Al) content in relation to organic acid synthesis and exudation into the rhizosphere. With regard to root growth in short-term experiments, PEPC-transgenic rice was more tolerant of Al than the wild type. At increased Al levels in the root medium, root tips of the transgenic rice accumulated less Al than those of the wild type. Aluminum-induced oxalate exudation from roots occurred at increased rates in the transgenic line. Overexpression of C4-PEPC drastically increased PEPC activity in leaves of the transgenic rice, causing higher organic acid concentrations in leaves and roots. The increased organic acid concentrations seemed to cause higher exudation rates of oxalate from roots, leading to a detoxification of Al in the root apoplast and rhizosphere.
Novel microwave–freeze drying of onion slices

Summary The present study aimed to introduce the capability of a novel dehydration technique. To do so, slices with various thicknesses (3.5 and 7 mm) of white onions were dried using commercial freeze drier (abs. pressure 0.005 mbar, temp. 45 °C), our own designed microwave-vacuum drier (abs. pressure down to 300 mbar) under various microwave powers (120–1200 W) and microwave-vacuum–freeze drier (onion slices kept at −20 °C for 2 h). Then, their dehydration rates and some quality parameters, such as rehydration ratio, colour (L*, a* and b*) and micro-structure were investigated. Our findings showed that microwave-vacuum–freeze drier is practically a rapid, simple, efficient, economic and novel dehydration technique which can be used for dehydration of mainly foodstuffs. The quality properties of slices produced by this novel method were also completely comparable and competitive with commercial freeze drier with over 96% saving on processing time and enormous amount on energy and capital investments.
Ozonation Byproducts of Atrazine in Synthetic and Natural Waters

The primary ozonation byproducts of atrazine [2-chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine] were determined in natural and synthetic water with a maximum initial atrazine concentration of 15 μg/L. Deethylatrazine [2-amino-4-chloro-6-(isopropylamino)-s-triazine] was the primary byproduct under almost all conditions, with up to seven other degradation products being detected at various conditions
Carbon and hydrogen isotope fractionation resulting from anaerobic methane oxidation

Methane oxidation in the anoxic sediments of Skan Bay, Alaska resulted in fractionation of carbon and hydrogen isotopes in methane. Isotope fractionation factors were estimated by fitting methane concentration, delta C{sup 13}-CH{sub 4} and delta-D-CH{sub 4} data with depth distributions predicted by an open system, steady state model. Assuming that molecular diffusion coefficients for C{sup 12}-CH{sub 4}, C{sup 13}-CH{sub 4}, and C{sup 12}-CH{sub 4}D are identical, the predicted fractionation factors were 0.0088 + or{minus}0.0013 and 1.157 + or{minus}0.023 for carbon and hydrogen isotopes, respectively. If aqueous diffusion coefficients for the different isotopic species of methane differ significantly, the predicted fractionation factors are larger by an amount proportional to the diffusion isotope effect. 50 refs., 5 figs.
GROWTH AND NUTRIENT COMPOSITION OF ELSHOLTZIA SPLENDENS NAKAI UNDER COPPER TOXICITY

ABSTRACT Copper (Cu) tolerance and accumulation in Elsholtzia splendens Nakai were investigated by means of hydroponic culture. Enhanced growth was observed when plants were exposed to 50 and 100 µM Cu. Copper uptake efficiency and translocation depended on Cu concentration in nutrient solution. Shoot Cu concentrations of 1133 and 3417 µg g−1 dry wt were achieved by 500 and 1000 µM Cu supply, respectively. Copper accumulation in E. splendens was accompanied by the ability to maintain the concentrations of other essential nutrients, except potassium, within the range considered sufficient for normal growth of higher plants. The results obtained suggest that E. splendens has a great potential for phytoremediation.
Effect of browning reaction on total phenolic, flavonoid content and antioxidant activity in Indian gooseberry (Phyllanthus emblica Linn.).

Browning of Indian Gooseberry (Phyllanthus emblica Linn.) for 4 hr caused significant (p<0.05) increase in total phenolic from 1,790.4 to 1,923.5 mg gallic acid equivalence/ 100 g fresh weight (FW) and in flavonoid content from 143.1 to 148.2 mg catechin equivalence/ 100 g FW. HPLC analysis indicated that quercetin also increased significantly (p<0.05) from 2.8 to 3.4 mg/ 100 g FW after 4 hr of browning. While kaempferol was only found in the 6 hr browning sample (0.2 mg/ 100 g FW). Total antioxidant activity (TAC) as determined by ORAC method increased to 98.3 µmoles Trolox equivalence/ 100 g FW in 6 hr browning sample. It was shown that TAC had a good correlation with quercetin (r=0.711). In addition, TAC and quercetin exhibited high correlation with browning index of the Indian Gooseberry (r=0.720 and 0.977, respectively). Therefore quercetin, as flavonol compound, could represent changes in flavonoids as well as a good quality indicator for antioxidant activity (ORAC) in
Simulation of Water Removal in Paper Based on a 2D Level-Set Model Coupled with Volume Forces Representing Fluid Resistance in 3D Fiber Distribution

A numerical model of a vacuum dewatering process was established with a level-set method to simulate two-phase flow in a two-dimensional paper sheet model with constructed volume forces representing flow resistance in a three-dimensional environment. Nine cases of various volume force representations were investigated by comparing numerical and experimental data. Based on the dry content and dwell time relation, the best model is obtained when accounting for in-plane flow resistance at the paper–wire interface. Compared to the other numerical cases, considering the blockage of the pore space, the top layer of the wire plays an essential role in determining the flow resistance during the vacuum process. To validate the maximum dewatering rate obtained in the model, new experimental data with a higher frequency of sampling are needed. The computational time for the two-phase flow models in this study is extensively reduced due to the removal of the internal structure. This distinction enables time-efficient simulations of the vacuum dewatering process in which several dewatering parameters such as the level of the vacuum, the influence of a moving vacuum pulse, and higher basis weights could be investigated.
Influences of anthraquinone extraction techniques from Morinda sp. on extraction efficiency.

The comparison of anthraquinone levels in root, stem, bark and leaf of Morinda sp. were investigated by HPLC with Alltima C8 column using 32%(v/v) acetonitrile and 0.5% (v/v) acetic acid as mobile phase at 40°C for 20 min. The roots contained the highest specific concentration of anthraquinone at 103.2 ± 4.8 mg/g dried mass, followed by stem (45.3 ± 6.3 mg/g), bark (6.90 ± 0.3 mg/ g) and leaf (1.20 ± 0.6 mg/g). Four extraction techniques were employed to extract anthraquinone from the roots of Morinda sp and the anthraquinone content was analyzed using spectrophotometer. Soxhlet apparatus was utilized in the first technique with 50% (v/v) methanol as an extraction solvent. It was found that 14.6 ± 1.0 mg/g dried root powder was extracted with the expenses of 3.97 ± 0.17 Baht/mg anthraquinone. This was compared to the second extraction method at room temperature with 80%(v/v) acetone and 50%(v/v) ethanol that led to the highest concentration of extracted anthraquinone at 38.9 ± 1.6 and 27.0 ± 6.9 mg/g with the accompanied cost of 2.94 ± 0.12 and 1.42 ± 0.36 Baht/mg, respectively. The third extraction procedure was carried out in the pressurised steamer at 1 bar and 100°C for 5 min with 80% (v/v) ethanol. The highest level of extracted anthraquinone was 95.3 ± 0.6 mg/g at the cost of 4.28 ± 0.03 Baht/mg. The last method of extraction was performed in the closed-circuit solid-liquid extraction unit at room temperature. Although the extraction cost was relatively small (1.50 ± 0.08 Baht/mg), the specific concentration obtained was not high (only 2.27 ± 0.11 mg/g).
The Application of Di-isocyante Modified Agro-polymer as Filler For XNBR/PA-12 Thermoplastic Elastomer Composites

Lignocelluloses industrial waste flour of olive husk powder (LCF) was utilized as reinforcement in carboxylated nitrile butadiene rubber (XNBR)/Polyamide-12 (PA-12) thermoplastic elastomer composites. To improve the bonding quality between the LCF and the blend, the powder was chemically treated by two means, the former is the treatment with toulene-2–4-diisocyanate (TDIC), and the latter is mercerization with sodium hydroxide followed by neutralization with acetic acid. The untreated and chemically treated powders were analyzed with attenuated total reflectance infrared spectroscopy (ATR-IR). The morphology of the powders before and after treatment was studied with scanning electron microscopy (SEM). The LCF reinforced composites were prepared using computerized Haake internal mixer coupled with rheometer. The processing conditions were 178°C and rotor speed of 80- round per minute for 7 min. The melt mixing process was monitored by the torque-time plastograms of the Haake internal mixer. The development of the stock temperature during the mixing process was monitored using the rheometer of Hakke internal mixer. The structural changes of the XNBR/PA-12 composites were inspected by SEM and attenuated ATR-IR spectroscopy. The influence of the modified filler on the toughness and hardness of the prepared samples are reported. The resistance of the prepared composites to water and toluene swelling are evaluated as well.
Dynamics of Industrial Revolution in Improving the Quality of Human Resources of College Graduates

: Indonesia is a large country with an area of 5,455,675 km2, and a population approximately 265 million people, occupying some 17,504 islands, consisting of 1,340 parts and using 742 languages. The progress of a nation is determined by the quality of human resources of college graduates. At present, there are 4,498 higher education institutions, but the gross enrollment rate achieved is still very small, which is only 30%. This means that the number of human resources of college graduates must be a concern, because 60% of Indonesian workers are dominated by primary and secondary school graduates, so Indonesia is still relatively poor. But the world has entered the Industrial Revolution 4.0, marked by technological advances in cyber-physical systems where the industry began to enter human connectivity in the form of cyberspace, known as the internet. Therefore, universities must be able to interact in an integrated curriculum with instructional integrity. This means that educational institutions need to adjust to the advancement of science and technology and the dynamic behavior of the industrial revolution in order to improve the quality of human resources in the future.
Molecular aspects of the reactivation process of acetylcholinesterase inhibited by cyclosarin

®® para avaliar as constantes cineticas de associacao e reativacao de oximas, em relacao a resultados in vitro previamente reportados na literatura. Como observado antes, os resultados mostraram boa correlacao entre as energias livres teoricas de ligacao das oximas e os dados experimentais, corroborando a metodologia como adequada para a predicao de parâmetros cineticos e termodinâmicos, os quais podem ser uteis para o planejamento e selecao de novas e mais efetivas oximas. In this work we applied a theoretical methodology developed in a former work, using the Molegro ® and Spartan ® softwares, to evaluate the association and kinetic reactivation constants of oximes, facing in vitro data previously reported in the literature. As reported before, results showed a good agreement between the theoretical binding free energies of the oximes and experimental data, corroborating the methodology as suitable for the prediction of kinetic and thermodynamic parameters that might be helpful for the design and selection of new and more effective oximes.
A preliminary study on functionality of Gundelia tournefortii L. as a new stabiliser in ice cream production

The aim of this study was to investigate the effect of Gundelia tournefortii L. leaves and G. tournefortii L. milk as a new natural stabiliser on the quality characteristics of ice cream. For this aim, G. tournefortii L. leaves were added to an ice cream mix at three different concentrations (0.6, 1.0 and 3.0% w/w), and also, its milk was used as a stabiliser at 0.6% w/w concentration for ice cream production. Certain physical and sensorial characteristics of ice creams were compared with those of some commercial food gums such as guar gum, carrageenan and salep. Also, the chemical structure of G. tournefortii L. milk was determined using infrared spectra and elemental analyses. In comparison with commercial stabilisers, G. tournefortii L. did not display a notable effect on quality characteristics (viscosity, overrun, first dripping times and complete melting times). However, when considering these quality characteristics, the values for G. tournefortii L. milk were close to the values obtained for the commercial gums. In terms of sensorial characteristics, all the concentrations of G. tournefortii L. leaves were given low scores by panellists compared to the commercial stabiliser. However, G. tournefortii L. milk was given scores similar to the commercial stabiliser.
Predicting the relative humidities of liquid-liquid phase separation, efflorescence, and deliquescence of mixed particles of ammonium sulfate, organic material, and water using the organic-to-sulfate mass ratio of the particle and the oxygen-to-carbon elemental ratio of the organic component

Abstract. Individual particles that on a mass basis consist dominantly of the components ammonium sulfate, oxygenated organic material, and water are a common class of submicron particles found in today's atmosphere. Here we use (1) the organic-to-sulfate (org:sulf) mass ratio of the overall particle and (2) the oxygen-to-carbon (O:C) elemental ratio of the organic component as input variables in parameterisations that predict the critical relative humidity of several different types of particle phase transitions. Specifically these variables were used to predict the critical relative humidity of liquid-liquid phase separation (SRH), efflorescence (ERH), and deliquescence (DRH). Experiments were conducted by optical microscopy for 11 different oxygenated organic-ammonium sulfate systems covering the range 0.1
Laminar Burning Velocity and Markstein Length Characterisation of Compositionally Dynamic Blast Furnace Gas

Blast Furnace Gas is a poor quality process gas comprising proportions of CO, H2, CO2, and N2, with a low energy density typically in the order of 3 MJ·kg−1. Produced in large quantities as a by-product of blast furnace iron making, it is one of the process gases indigenous to integrated steelworks worldwide. The inherently dynamic nature of furnace operation causes compositional variation and therefore leads to fluctuation in the fuel characteristics, often dissuading engineers from fully utilising the gas in increasingly complex and efficient technologies such as gas turbines. Characterisation studies were undertaken in a new constant volume bomb to determine the sensitivity to change in laminar burning velocity and Markstein length experienced as a result of increasing the volumetric H2 fraction in the range of 1–7%. Experiments were performed by measuring outwardly propagating spherical flame evolution, recorded using a Schlieren flame visualisation technique for a range of equivalence ratios, and processed using nonlinear data analysis. The relative performance of the experimental technique was benchmarked against other works using well-investigated CH4 and yielded results in good agreement with published values. Peak laminar burning velocity was shown to increase by a factor of approximately 3.5 over the tested range, with H2 concentration and equivalence ratio shown to greatly influence the effect of flame stretch. Comparisons of results were also made with values obtained from different reaction mechanisms employed using the PREMIX code developed by Sandia National Laboratories.