Miracle-dz/UniFAR-FTUs huggingface dataset:
Computer simulation of calcite growth inhibition: A study of monophosphonate interaction with calcite

We have performed atomistic surface simulations of the interaction of monophosphonate growth inhibitor ions with the planar and obtuse stepped { 10 1 ¥ 4 } surfaces of calcium carbonate. We show that phosphonate inhibitor ions have a smaller adsorption energy on the planar { 10 1 ¥ 4 } surface compared to the obtuse stepped { 10 1 ¥ 4 } surface in accordance with experiment; and that the binding energy of the inhibitor with the surface is dominated by electrostatic forces. We find that replacement processes which simulate the irreversible incorporation of monophosphonate ions at terrace and step sites are energetically more favourable than those calculated for the diphosphonate ion. The inhibition mechanism proposed to operate for the deprotonated monophosphonate/calcite system is via the binding or incorporation of monophosphonate ions to the calcite obtuse step sites and kink sites thus slowing step flow and thereby destroying and/or delaying the formation of potential kink sites and step assembly.
Network Service Chaining and Embedding With Provable Bounds

Network function virtualization (NFV) is introduced to effectively deliver end-to-end network services for the emerging Internet of Things (IoT), multiaccess edge computing, and 5G communication techniques. In NFV, the network service request can be accommodated in the form of a service function chain (SFC). The SFC will have to reserve abundant resources, such as link bandwidth, service functions, and computation in the physical network to meet the demands of customers. Minimizing the cost from the resource reservation in NFV remains challenging, even though a few works in the literature proposed cost-optimization methodologies with assumptions to guarantee their correctness. In this article, we comprehensively investigate how to minimize the cost when delivering network services as SFCs with provable bounds and fewer assumptions. We formally define the problem of minimum cost service function chaining and embedding (MC-SFCE) and propose an algorithm, namely, cost factor-based SFCE optimization with shortcut (COFO-SC), for MC-SFCE. Novel mathematical analysis is provided to demonstrate the correctness of our approaches and related bounds. Our extensive simulations and analysis also show that the proposed COFO-SC outperforms the schemes directly extended from the existing work.
High-resolution single-molecule optical trapping measurements of transcription with basepair accuracy: instrumentation and methods

Optical traps allow the single-molecule investigation of the chemo-mechanical properties of biomolecules1. We have developed an ultra-stable optical trapping system capable of ångstr&diaero;m-level position resolution and used it to monitor transcriptional elongation by single molecules of E. coli RNAP polymerase (RNAP). This optical trapping system uses the anharmonic region of the trapping potential, where differential stiffness vanishes, to generate a force-clamp that operates without feedback-associated noise2. We demonstrate methods of calibrating this anharmonic trapping region and strategies to eliminate common sources of noise associated with air currents. Records of transcriptional elongation obtained with this device showed discrete steps averaging ~3.7 Å, a distance equivalent to the mean rise per base found in B-DNA3. To determine the absolute position of the RNAP on the DNA template, we monitored transcription under conditions in which a single nucleotide species was held rate-limiting and then aligned the resulting transcriptional pauses with the occurrence of this rate-limiting species in the underlying template. The aligned pause patterns recorded from four molecules, each measured with a different ratelimiting nucleotide species, were used to determine the sequence of a short region of unknown DNA, demonstrating that the motion of a single processive nucleic acid enzyme may be used to extract sequence information directly from DNA4.
Incipient Wolframite Deposition at Panasqueira (Portugal): W-Rich Rutile and Tourmaline Compositions as Proxies for the Early Fluid Composition

The main event responsible for the deposition of tungsten at Panasqueira was closely associated with strong tourmalinization of the wall rocks. Tourmaline is coeval with a W-rich rutile (up to 8–10 wt % W), and both minerals record an early introduction of W in the system, just before the main W deposition. Uranium-Pb dating of the rutile by LA-ICP-MS yielded an age of 305.2 ± 5.7 Ma, which is 6 to 10 m.y. older than the K-Ar age of 296.3 ± 1.2 Ma obtained on muscovite, which was therefore not coeval with wolframite. Major and trace element concentration variations in tourmaline record fluid mixing between two end members, both considered to be of metamorphic derivation on the basis of rare earth element profiles. We report evidence for a fluid rich in Co, Cu, Pb, Sc, Sr, V, Cr, Nb, Ta, and Sn interpreted to be of local origin—e.g., well equilibrated with the host formations—and a fluid rich in Li, F, Fe, Mn, and W inferred to be of deep origin and related to biotite dehydration. The second fluid carried the metals (in particular Fe and Mn) that were necessary for wolframite deposition and that were not necessarily inherited from the wall rocks through fluid-rock interaction. Micrometer-scale variations in tourmaline and rutile crystal chemistry are indicative of pulsatory fluid input during tourmalinization.
Running Characteristics of Plantar Flexor Forces Based on Different Foot Strike Patterns in Medial Tibial Stress Syndrome

OBJECTIVES The purpose of this study was to compare plantar flexor force due to different foot strike patterns during running in barefoot and shod condition with and without medial tibial stress syndrome (MTSS). METHODS Fifteen collegiate soccer players who volunteered to participate were divided into MTSS group and controls. Participants’ running at 3.3 m/s with and without shoes were recorded with a 12-camera system at a sampling frequency of 250 Hz. Each subject completed different foot strike patterns of running as the forefoot strike pattern (FFS) and rearfoot strike pattern (RFS) were collected. Plantar flexor forces were investigated by software for interactive musculoskeletal modeling. RESULTS Normalized plantar flexor forces in barefoot running with the FFS pattern had greater soleus and peroneus brevis muscle forces in the MTSS group than in controls during the first half of stance, although there were no statistically significant differences for other plantar flexor muscle forces between groups and shod running. In plantar flexor forces due to foot strike pattern, the FFS pattern showed higher plantar flexor forces than the RFS pattern. CONCLUSIONS The results of musculoskeletal modeling suggest that subjects with MTSS have greater muscle forces of the plantar flexor during running, especially barefoot running with the FFS pattern. It also suggests increased forces in some plantar flexors generated great traction force by repetitively landing on connective tissues in the deep crural fascia causing inflammation at the posteromedial site of the tibia in MTSS. Asian J Kinesiol 2020; 22(4): 48-54 · DOI: https://doi.org/10.15758/ajk.2020. 22.4. 48
Determination of Diazepam, Temazepam and Oxazepam at the Lead Film Electrode by Adsorptive Cathodic Stripping Voltammetry

The determination of psychoactive 1,4-benzodiazepine drugs is of relevant interest in clinical, biomedical areas. Therefore a highly sensitive and simple voltammetric method for the determination of temazepam, diazepam and oxazepam at an in situ plated lead film electrode was developed. The method was successfully applied to the determination of diazepam and temazepam in pharmaceutical formulations with minimum sample manipulation and oxazepam in human urine samples without any separation steps. The determinations of oxazepam in human urine samples were performed in a flow system. Therefore a previous extraction procedure was not necessary to separate the active compound before its determination.
Modelling the effects of bioturbation on the re‐distribution of 137Cs in an undisturbed grassland soil

Under favourable conditions, soil ingestion by earthworm populations can be equivalent to approximately 5–10% of the topsoil mass per year. This suggests that for contaminants that are strongly bound to soil, earthworm ‘bioturbation’ may be a more important transport mechanism than water‐borne advection dispersion. It is therefore quite surprising that few modelling studies to date have explicitly considered the effects of biological processes on contaminant transport in soil. In this study, we present a general model that incorporates the effects of both ‘local’ and ‘non‐local’ biological mixing into the framework of the standard physical (advective‐dispersive) transport model. The model is tested against measurements of the redistribution of caesium‐137 (137Cs) derived from the Chernobyl accident, in a grassland soil during 21 years after fallout. Three model parameters related to biological transport were calibrated within ranges defined by measured data and literature information on earthworm biomasses and feeding rates. Other parameters such as decay half‐life and sorption constant were set to known or measured values. A physical advective‐dispersive transport model based on measured sorption strongly underestimated the downward displacement of 137Cs. A dye‐tracing experiment suggested the occurrence of physical non‐equilibrium transport in soil macropores, but this was inadequate to explain the extent of the deep penetration of 137Cs observed at the site. A simple bio‐diffusion model representing ‘local’ mixing worked reasonably well, but failed to reproduce the deep penetration of Cs as well as a dilution observed close to the soil surface. A comprehensive model including physical advective‐dispersive transport, and both ‘local’ and ‘non‐local’ mixing caused by the activities of both endogeic and anecic earthworms, gave an excellent match to the measured depth profiles of 137Cs, with predictions mostly lying within confidence intervals for the means of measured data and model efficiencies exceeding 0.9 on all sampling occasions but the first.
Study of dual responsive poly[(maleilated dextran)‐graft‐(N‐isopropylacrylamide)] hydrogel nanoparticles: preparation, characterization and biological evaluation

BACKGROUND: Much interest has recently been shown in fundamental studies and technological developments of polymeric nanoparticles. Novel dual temperature- and pH-sensitive stabilized nanoparticles composed of maleilated dextran (Dex-MA) and N-isopropylacrylamide (NIPAAm) were prepared and investigated to be used for the controlled release of 10-hydroxycamptothecin. RESULTS: The resultant nanoparticles showed spherical geometry, with diameters ranging from 60 to 300 nm, the variation achieved by adjusting the composition ratio or the amounts of surfactant. The size of the nanoparticles increased and the zeta potential reversed with an increase of pH. Also, the lower critical solution temperature (LCST) decreased at pH = 3.0, but increased at pH = 6.0, which suggests that the LCST is dependent on pH. Drug release results obtained showed encapsulation and loading efficiencies were 62.9% and 0.82%, respectively. Cytotoxicity assay of this copolymer indicated no significant toxicity. CONCLUSION: Novel dual temperature- and pH-sensitive Dex-MA-graft-PNIPAAm nanoparticles may provide some advantages for anti-cancer drug delivery due to a tunable LCST from 35 to 45 °C and controllable dimensions. These nanoscale materials could be excellent candidates for biotechnology and biomedical applications. Copyright © 2009 Society of Chemical Industry
How children in northern Canada represent the wolverine through drawings

Abstract This study explores the perception of wolverines, a carnivore in decline, by youths in northern Canada, the future generation of stakeholders. To accomplish this, we analysed 165 drawings from children and 22 interviews with Indigenous adults in the Northwest Territories and Quebec. Overall, children primarily drew wolverines in healthy environments, with only a minority depicting the wolverine’s environment negatively. All children demonstrated a basic understanding of the wolverine’s physical appearance and biology/ecology, with few differences in how the wolverine was depicted among the different research areas. Among interviewed adults, the ecological role played by wolverines was less prominent among the themes explored by Naskapi participants than was their role as a thief or pest, when contrasted to Dene participants. These results indicate that information about wolverine habitat or biology is still being acquired by children in areas where wolverines are extirpated, but that a lack of exposure to this species may negatively influence children’s understanding of its ecological role. These results suggest that informing the public about this carnivore’s ecological role may improve public support and, therefore, the likelihood of successful conservation programmes.
Forward Osmosis Membranes for Water Reclamation

This review addressed the fundamental principles, advantages and challenges of forward osmosis (FO) membrane processes. FO is receiving more and more research attractions because it can concurrently produce clean water with low energy input and generate hydraulic energy (pressure retarded osmosis). FO typically requires zero or low hydraulic driving pressure, therefore the fouling potential of the FO membranes is much lower than conventional pressure-driven membrane processes. However, concentration polarization (CP), especially the internal CP significantly reduces the effective osmotic pressure across the FO membrane, the major driving force for the filtration process. As a result, innovative FO membrane materials like electrospun nanofibers have been explored to make low tortuosity, high porosity, and thin FO membranes with a high rejection rate of solutes and low or zero diffusion of the draw solute. The orientation of the FO membrane with active layer-facing-feed solution has less fouling than active layer-facing-draw solution. In addition, to further decrease the fouling potential, a hydrophilic and more negatively charged membrane is preferred when filtration of natural organic matter (NOM) or alginate in the absence of multivalent cations.
The role of work-integrated learning in the development of entrepreneurs

This study explored the ways that work-integrated learning (WIL) influences the development of entrepreneurs Seven alumni from Canada and the United Kingdom, who experienced differing forms of WIL during their degree, participated in qualitative in-depth interviews and provided rich pictures A rich picture is a pictorial representation of a situation, including what happened, who was involved, how the participant perceived the situation During the interviews, participants reflected on how WIL impacted their career and they created rich pictures to depict their perception of an entrepreneur and what influenced them to become an entrepreneur Several important themes emerged and included seizing opportunities, thinking “outside the box,” being resilient during difficult times, and the importance of networks The influence of WIL was important for all participants and provided the framework of support that enabled the participants to manage difficult times and turn disruption into opportunity © 2020 International Journal of Work-Integrated Learning All rights reserved
Rotorcraft Blade Angle Calibration Methods

ROTORCRAFT BLADE ANGLE CALIBRATION METHODS Brian David Calvert Jr. Old Dominion University, 2020 Director: Dr. Drew Landman The most vital system of a rotorcraft is the rotor system due to its effects on the overall flight quality of the vehicle. Therefore, it is of importance to be able to accurately determine blade position during flight so that fine adjustments can be made to ensure a safe and efficient flight. In this study, a current calibration method focusing on the pitch, flap, and lead-lag blade angles is analyzed and found to have larger than acceptable error associated with the sensor calibrations. A literature review is conducted which reveals four novel methods that can potentially increase the accuracy of the sensor calibrations. An uncertainty analysis is conducted aiding in the decision of which of the four methods would best improve the calibration accuracy. The results conclude that a simpler method can be applied and calibration times can greatly be reduced while increasing the accuracy of the calibration. Finally, a new calibration method is proposed utilizing the newly chosen sensor that can be later implemented into the system.
Preconcentration and separation of trace Pd(II) and Pt(IV) with silica, gel bonded by aminopropyl‐benzoylazo‐4‐(2‐pyridylazo)‐resorcinol

This paper reports a simple and highly selective method for preconcentrating and separating of trace Pd(II) and Pt(IV) with silica gel bonded by aminopropyl-benzoylazo-4-(2-pyridylazo)-resorcinol (ABPR·SG). ABPR·SG is stable in solution from 6 mol/L HCl to pH 7.0 and in common organic solvents. The maximum adsorptive capacity of Pd(II) on ABPRSG is 362 μmol/g. After preconcentrating and separation by using ABPR·SG column, Pd(II) and Pt(IV) of μg/L level in artificial water samples can be measured reliably by common spectrophotometer. The maximum concentration factors of Pd(II) and Pt(IV) on ABPR·SG column are 143 and 125 respectively. The chromatographic column packed with ABPR·SG can be reused. The method is simple and efficient.
Hydrogen-bonding Patterns in Pyrimethaminium Picolinate

The title compound was prepared by reacting pyrimethamine [2,4-diamino-5-(p-chlorophenyl)-6-ethyl pyrimidine] and picolinic acid, [C12H14ClN4, C6H4NO2] in methanol. It crystallizes in the monoclinic P21/c space group. The unit-cell parameters are a = 9.5731(2) b = 8.7449(2) c = 21.8582(5)A, β = 99.9590(10)°. The final R-value is 0.0662 for 8517 measured reflections. The asymmetric unit contains a pyrimethamine cation and a picolinate anion. The protonated N1 atom is hydrogen bonded to one of the oxygen atoms via a N-H…O hydrogen bond. The carboxyl oxygen atom bridges the 2-amino group and the 4-amino group on either side in addition to the base pairing to form a DADA array (D = donor & A = acceptor in hydrogen bonding) of quadruple hydrogen bonding. The crystal structure is further stabilized by C-H…O, C-H…N and aromatic stacking interactions.
Efficient Algorithms for Multi-Component Application Placement in Mobile Edge Computing

In this article, we address the Multi-Component Application Placement Problem (<inline-formula><tex-math notation="LaTeX">${\sf MCAPP}$</tex-math><alternatives><mml:math><mml:mi mathvariant="sans-serif">MCAPP</mml:mi></mml:math><inline-graphic xlink:href="grosu-ieq1-3038626.gif"/></alternatives></inline-formula>) in Mobile Edge Computing (MEC) systems. We formulate this problem as a Mixed Integer Non-Linear Program (MINLP) with the objective of minimizing the total cost of running the applications. In our formulation, we take into account two important and challenging characteristics of MEC systems, the mobility of users and the network capabilities. We analyze the complexity of <inline-formula><tex-math notation="LaTeX">${\sf MCAPP}$</tex-math><alternatives><mml:math><mml:mi mathvariant="sans-serif">MCAPP</mml:mi></mml:math><inline-graphic xlink:href="grosu-ieq2-3038626.gif"/></alternatives></inline-formula> and prove that it is <inline-formula><tex-math notation="LaTeX">$NP$</tex-math><alternatives><mml:math><mml:mrow><mml:mi>N</mml:mi><mml:mi>P</mml:mi></mml:mrow></mml:math><inline-graphic xlink:href="grosu-ieq3-3038626.gif"/></alternatives></inline-formula>-hard, that is, finding the optimal solution in reasonable amount of time is infeasible. We design two algorithms, one based on matching and local search and one based on a greedy approach, and evaluate their performance by conducting an extensive experimental analysis driven by two types of user mobility models, real-life mobility traces and random-walk. The results show that the proposed algorithms obtain near-optimal solutions and require small execution times for reasonably large problem instances.
Finance, Gender, and Entrepreneurship: India’s Informal Sector Firms

Abstract How does informal economic activity respond to increased financial inclusion? Does it become more entrepreneurial? Does access to new financing options change the gender configuration of informal economic activity and, if so, in what ways and what directions? We take advantage of nationwide data collected in 2010/11 and 2015/16 by India’s National Sample Survey Office on unorganized (informal) enterprises. This period was one of rapid expansion of banking availability aimed particularly at the unbanked, under-banked, and women. We find strong empirical evidence supporting the crucial role of financial access in promoting entrepreneurship among informal sector firms in India. Our results are robust to alternative specifications and alternative measures of financial constraints using an approach combining propensity score matching and difference-in-differences. However, we do not find conclusive evidence that increased financial inclusion leads to a higher likelihood of women becoming entrepreneurs than men in the informal sector.
A New Approach for the Formulation of Beverages, II: Interactive Automatic Method

Abstract The paper describes the design and the realization of an automatic system for the sensory formulation of food products. The originality of the method lies in the interaction between consumer response and product conception. This interaction (or feed-back) requires the use of an automatic system, called 'AAFS' (Automated Apparatus for Sensory Formulation). It is composed of both an automatic device performing liquid mixtures from several components and user-friendly software for finding satisfactory formulations. The software uses data analysis and artificial intelligence techniques. The 'AAFS' is currently being used for formulating a new beverage.
Erratum: “ruby-spheres as pressure gauge for optically transparent high pressure cells”

Abstract Ruby is widely used as an in siru pressure gauge for optically transparent pressure cells up to the megabar range. Usually ruby chips cut from bulk crystals are used which are ill-characterized and inconvenient to handle and to identify visually. Here we present a systematic study on corundum samples doped with Cr3+ ions with concentration from 60 to 23500 ppm to determine the optimal conditions for the use as an accurate pressure marker. The influence of the excitation wavelength on the luminescence spectra was investigated. These studies led to the synthesis of small (1–50 micrometer) ruby spheres with 3000 ppm chromium concentration. After annealing and a heat treatment to avoid internal strains we find reproducible values of the position and the width of the fluorescence lines. These ruby spheres are not only well suited for a reliable and accurate pressure determination in experiments using diamond anvil cells, but can also be used as an in sihr micro-thermometer in high pressure-low tempera.