Miracle-dz/UniFAR-FTUs huggingface dataset:
Tunable LCST behavior of poly(N-isopropylacrylamide/ionic liquid) copolymers

Poly(N-isopropylacrylamide), PNIPAM, is a thermoresponsive polymer widely known for its lower critical solution temperature (LCST) phenomenon at 32 °C in aqueous solutions. Precise tuning of the LCST of PNIPAM to a broader temperature range offers a larger window of applications especially in the field of biotechnology and nanotechnology. A series of free radical random copolymerizations between N-isopropylacrylamide (NIPAM) and various imidazolium based ionic liquids (ILs) were conducted. IL structures were varied in terms of their alkyl chain length at the N-3 (or N-1) position of the imidazolium ring and counter anion. The LCST behavior of the aqueous solutions of the copolymers was investigated through UV-VIS transmission measurements. The results confirm that introduction of IL into the PNIPAM offers a wide range of LCST behaviors with a synergism between the hydrophobic part of the ionic liquid and the basic strength of the counter anion, probably by varying the hydrogen bonding abilities of the copolymer.
Exploring Potential Synergism Between Darunavir/Cobicistat and Ribavirin for the Treatment of Covid-19 Patients: A Retrospective Comparison Study

Objective: Exploring potential synergistic effect of darunavir/cobicistat (DRV/COBI) plus ribavirin (RBV) in COVID-19 treatment. Methods: Retrospective, observational comparison study conducted in Qatar. Adult patients with confirmed positive SARSCoV-2 who received either DRV/COBI or DRV/COBI+RBV were included. Primary outcome was time to viral clearance, while secondary outcomes. include clinical improvement (resolution of fever/tachypnea), development of acute respiratory distress syndromes (ARDS) and 28-days all-cause mortality, and incidence of adverse reactions. Results: Sixty-four patients were included (41 received DRV/COBI and 23 received DRV/COBI+ RBV). Mean age of patients was 48.4±14.6 years with predominant male gender (58/64; 90.6%). Median time from starting therapy till viral clearance was 11 days in DRV/COBI+RBV vs. 16 days in DRV/COBI groups (P=0.295). At day-28, viral clearance was observed in 82.6% (19/23) and 73.2% (30/41) in DRV/COBI+RBV and DRV/COBI groups, respectively (P=0.392). Patients receiving DRV/COBI+RBV did not achieve faster resolution of fever or tachypnea compared to those receiving DRV/COBI. Three patients in DRV/COBI+RBV group developed ARDS, while none in DRV/COBI group. Frequency of hemoglobin drop of ≥2g/dl was significantly higher in DRV/COBI+RBV group than in DRV/COBI group (34.8% vs. 7.9%, P=0.008, respectively). Conclusion: Use of darunavir/cobicistat plus ribavirin was not associated with faster viral clearance or better clinical outcomes.
Fundamental study of an ambient temperature ferrite process in the treatment of acid mine drainage

The feasibility of making ferrite at ambient temperature from solutions of simulated acid mine drainage is explored. The X-ray diffraction and saturation magnetization of the precipitates obtained clearly show that the spinel ferrite can be made at ambient conditions and pH 9−11. The optimum molar ratio of Fe3+ to Fe2+, a critical parameter for ferrite formation, is found to be 1.75. The effect of [Zn2+] and [Ca2+] in solution on ferrite formation was investigated. The former has no effect on the magnetic properties of ferrite, but the saturation magnetization of the ferrite decreases with an increase of [Ca2+]. The results suggest that an ambient temperature ferrite process for acid mine drainage is worthy of further investigation.
Optimization of Microwave-Assisted Extraction of Astaxanthin from Haematococcus Pluvialis by Response Surface Methodology and Antioxidant Activities of the Extracts

Abstract Microwave-assisted extraction (MAE) was applied for the extraction of astaxanthin from Haematococcus pluvialis and response surface methodology (RSM) was used to optimize extraction parameters to the content of astaxanthin. Four independent variables such as microwave power (W), extraction time (sec), solvent volume (mL), and the number of extraction were optimized in this paper. The optimal conditions were determined and tri-dimensional response surfaces were plotted from the mathematical models. The F-test and p-value indicated that microwave power, extraction time, the number of extraction, and their quadratic had a highly significant effect on the response value (p <0.01), then the solvent volume and the interaction effects of microwave power and the number of extraction also displayed significant effect (p <0.05). Considering the extraction efficiency, the optimized conditions of MAE were as follows: microwave power was 141 W, extraction time 83 sec, solvent volume 9.8 mL, the number of extraction four times. About 594 ± 3.02 µg astaxanthin was extracted from Haematococcus pluvialis the dried powders (100 mg) under the optimal conditions, and it close to the predicted contents (592 µg). The antioxidant activities of the extracts obtained under optimal conditions were analyzed, and the results showed that the extracts presented strong ability of inhibiting the peroxidantion of linoleic acid, exhibited strong radical-scavenging properties against the DPPH, as well as strong reducing power.
Phase separation in a PSf/DMF/water system: a proposed mechanism for macrovoid formation

The formation of polysulfone (PSf) membranes from the PSf/N,N-dimethylformamide (DMF)/water system was studied with optical microscopic observations. Visualization of the phase separation process was performed and immersion precipitated membranes were prepared with polymer solution containing different PSf concentrations and a coagulation bath having variable DMF content. The diffusion rate of water into the polymer solution was found to be reduced with increasing PSf concentration in the polymer solution or DMF content in the coagulation bath. Scanning electron microscope (SEM) images of hand casted membranes showed the unique occurrence of macrovoids and based on the optical microscopic findings, a mechanism for macrovoid formation was proposed. The contraction of a bi-continuous phase separated network of a polymer rich phase might cause the inflow of the polymer lean phase, leading to the formation of a polymer lean layer at the phase separating boundary, which should be responsible for macrovoid formation. The occurrence of the macrovoids was further related to the resistance to compaction of the immersion precipitated membranes. Results from compression tests indicated that the membrane is mechanically more sustainable with the damping of the macrovoids.
A distributed parameter model for an airlift fermentor. Effects of pressure

A previously presented model for an airlift fermentor is extended by considering the variations of pressure along the tubes. The fluid dynamics of the system is represented with the acid of correlations obtained from experiments. Only oxygen concentrations are considerations are considered. The influences of the various parameters affecting the system are analyzed. The model allows prediction of oxygen concentrations in the different points of an airlift fermentor and calculation of the best values of the gas flow rate.
Modeling the reversible addition–fragmentation transfer polymerization process

A kinetic model has been developed for reversible addition-fragmentation transfer (RAFT) polymerization with the method of moments. The model predicts the monomer conversion, number-average molecular weight, and polydispersity of the molecular weight distribution. It also provides detailed information about the development of various types of chain species during polymerization, including propagating radical chains, adduct radical chains, dormant chains, and three types of dead chains. The effects of the RAFT agent concentration and the rate constants of the initiator decomposition, radical addition, fragmentation, disproportionation, and recombination termination of propagating radicals and cross-termination between propagating and adduct radicals on the kinetics and polymer chain properties are examined with the model.
High-Resolution Electron Energy-Loss Studies of Hydrocarbon Formation from Methane Decomposition on Ru(0001) and Ru(11.hivin.20) Catalysts

The reaction of methane with single-crystal ruthenium catalysts has been studied utilizing an elevated-pressure microreactor (contiguous to a surface analysis system), high-resolution electron energy-loss spectroscopy (HREELS), and temperature-programmed desorption (TPD). Methane is found to dissociate on Ru(0001) and Ru-(11[bar 2]0) surfaces to form various hydrocarbon intermediates. On the Ru(11[bar 2]0) surface, three distinct forms of surface hydrocarbon species are identified: methylidyne (CH), vinylidene (CCH[sub 2]) and ethylidyne (CCH[sub 2]). On the Ru(0001) surface only the methylidyne and vinylidene species were observed. At reaction temperatures exceeding 700 K, no loss features associated with surface hydrocarbon species are found. HREELS measurements and CO titration experiments indicate the presence of a surface graphitic phase at temperatures >700 K. A comparison is also made between the surface carbon species found in the present study and the carbon types found on supported catalysts. 56 refs., 8 figs., 3 tabs.
Reducing power of ferrous iron in the Archean ocean. 2. Role of FeOH+ photooxidation

A chemical and dynamical model of the Archean ocean is proposed to investigate the consequences of FeOH+ photooxidation in the surface mixed layer. The calculation assumes the presence of small amounts of photosynthetic oxygen, from negligible values to surface concentrations of 10−6 mol kg−1. Photooxidation releases hydrogen atoms which can recombine into H2 molecules, reduce some ferric compounds or react with O2 to form HO2. The results are presented for various atmospheric CO2 pressures (corresponding to different pH profiles) and for Fe II concentrations in the deep ocean varying from 10−7 to 10−4 mol kg−1. In spite of the uncertainties concerning the description of the Archean world the model indicates that Fe III reduction by hydrogen atoms would have been a minor process, except for unlikely small deepwater Fe II concentrations. Another significant result is that the FeOH+ photooxidation rate was probably limited by upward transport (upwelling and diffusion) of ferrous iron. Thus in the model this rate only depends on the deepwater Fe II content and on the dynamical parameters associated to upwelling and diffusion. It is also shown that two mixed layer O2 concentrations ([O2]o) are critical. First, for [O2]o ≲ 10−13 mol kg−1 the hydrogen atoms produced by photooxidation recombine to form H2. By contrast, for [O2]o ≳ 10−13 mol kg−1, these atoms are consumed by reaction with O2, and the HO2 molecule which is released generates three additional oxidations of Fe II ions. The second critical concentration is [O2]o ≃ 10−8 mol kg−1, for which the photosynthetic oxygen invades the deep layers of the ocean. In such a case, the photooxidation rate is rapidly decreased, and the direct reaction with O2 becomes the main oxidation process for Fe II.
FUMIGANT TOXICITY OF CARUM COPTICUM L. OIL AGAINST TRIBOLIUM CONFUSUM DU VAL, RHYZOPERTHA DOMINICA F. AND ORYZAPHILUS SURINAMENSIS L.

Plant secondary metabolites play an important role in the plant-insect interactions. Some compounds extracted from plants have insecticidal activity against insects. The chemical composition of the essential oil from seeds of Carum copticum grown in mashhad, Iran, was studied by gas chromatography mass spectrometry (GC-MS). Thymol (43%), γ-terpinen (15.85%) and β-cymene (21.67%) were found to be the major constituents of the oil. Fumigant toxicity test of above-mentioned plant essential oil against adults of Tribolium confusum du Val, Rhyzopertha dominica F. and Oryzaephilus surinamensis L. were carried out at 27±2°C and 60±5% RH. Results demonstrated that O. surinamensis (LC50 = 1.69 μl/l air) was significantly more susceptible than R. dominica (LC50 = 19.01 μl/l air) and T. confusum (LC50 = 58.70 μl/l air) at 24 h length of exposure to this essential oil. In all cases, considerable differences were observed in mortality of insects with essential oil vapor in different concentrations and times. As expected, mortality was increased by increasing of doses and exposure time after 72 h fumigation.
Dynamic effects on force measurements. 2. Lubrication and the atomic force microscope

We present the results of investigations of high-speed drainage of a thin film confined between a microscopic colloidal probe and a substrate performed with a new atomic force microscope-related setup. Theoretical calculations are used to formulate the governing equation (force balance) for instantaneous deflection of a cantilever spring, which is due to both concentrated forces acting on a colloidal probe and viscous drag force on a cantilever itself. The suggested way to subtract the latter contribution allows design of a lubrication experiment. Two pairs of interacting solids, characterized by different wettability and smoothness, immersed into water−electrolyte solutions have been studied. Results for hydrophilic silica surfaces are in excellent agreement with the Reynolds theory of hydrodynamic lubrication. Faster drainage of a thin film confined between hydrophobic rough polystyrene surfaces is consistent with the theory of film drainage between slippery surfaces. The slip lengths are found to be of.
Plasmon energy chemical phase mapping of reactive multilayers

An analytical method of quantitative phase identification and mapping on the nanoscale is presented based on correlative similarity mapping from spectrum images within electron energy loss spectroscopy across the low‐loss plasmon region. The method is applied to map the reaction layer formation for heat treated Cu–Al–Al2O3 thin films. Coexistence of residual Al pockets next to polycrystalline but epitaxial CuAl2 as main reaction product is found as well as a distinctive interfacial plasmon region. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
N-Imide Ylide-Based Reactions: CH Functionalization, Nucleophilic Addition and Cycloaddition

As valuable building blocks for introducing nitrogen, N-imide ylides represent an important class of reactive species and are synthons for the synthesis of nitrogen-containing heterocycles that potentially have biological activities. During the past decades, tremendous efforts have been devoted to the tandem processes involving N-imide ylides as well as their asymmetric applications. In particular, several types of N-imide ylide-based reactions have been established, such as CH functionalization, nucleophilic addition, and cycloaddition, etc. In this review, recent advances in N-imide ylides chemistry are presented ordered according to the sequence of various reaction types.
Earthquake accelerogram selection and scaling procedures for estimating the distribution of structural response

The problem of how to select a suite of earthquake accelerograms for time-domain analyses is one of particular practical and academic interest. Research in this field has led to numerous approaches for compiling suites of accelerograms that may be used to robustly estimate the median structural response. However, many applications in earthquake engineering require the estimation of the full distribution of a structural response parameter for a particular predefined scenario. This article presents an efficient procedure whereby the distributions of inter-storey or roof drifts may be well approximated. The procedure makes use of three-point approximations to continuous distributions and the strong correlation that exists between the spectral acceleration at the initial fundamental period of the structure and the drift response. The distributions that are obtained under the proposed approach are compared to a reference distribution that is assumed to represent the true underlying distribution of drift response. The reference distribution is defined via a regression analysis conducted on the results of time-domain analyses of a six-storey reinforced concrete frame building subjected to 1666 unscaled natural accelerograms. The results indicate that robust estimates of the first and second moments of the distribution of logarithmic drift may be obtained by subjecting the structure to several accelerograms scaled to match three target spectra over a range of periods. The target spectra are defined in terms of the numbers of standard deviations above or below the median 5%-damped spectral acceleration and correspond to the roots of a third-order Hermite polynomial. The results demonstrate that consideration of fifth-order Hermite polynomials does not lead to a significantly improved performance of the approach. CE Database keywords: Ground motion; Earthquake; Dynamic structural analysis; Probability distribution; Structural reliability. 1 Ph.D. Candidate, DISTART – Structural Engineering, University of Bologna, Viale Risorgimento 2, 40136 Bologna, Italy. 2 RCUK Fellow / Lecturer in Modelling Engineering Risk, Willis Research Fellow, Department of Civil & Environmental Engineering, Imperial College London, South Kensington campus, London SW7 2AZ, United Kingdom (corresponding author). E-mail: p.stafford@imperial.ac. uk 3 Professor of Earthquake Risk Assessment, Department of Civil & Environmental Engineering, Imperial College London, South Kensington campus, London SW7 2AZ, United Kingdom Revised manuscript under review at the Journal of Structural Engineering ASCE
Solid Electrolyte Potentiometry Aided Studies of Oxidic Catalysts

Abstract Solid electrolyte potentiometry (SEP) is a valuable tool in the investigation of catalytic gas–solid reactions as it is an in situ technique applicable under working conditions. It is commonly used in combined kinetic and electrochemical measurements and relates the steady state value of the oxygen activity at the catalyst to the observed reaction rates. After the description of principles and experimental procedure the main results obtained so far are discussed, namely: (a) the chemisorption of oxygen and the stability of single phases in the open system far from equilibrium; (b) model considerations influenced by or initiated through the knowledge of the oxygen activity in steady state; and (c) additional insight in the catalyst behavior in the case of partial oxidations of organic compounds at oxidic catalysts.
Catchment Characterization as a Tool for Upland Water Quality Management

The relationship between the distribution of naturally occurring discoloured water and catchment characteristics is determined for an upland catchwater system in North Yorkshire, U.K. Primary non-point sources of colour are identified as areas of Winter Hill peat with slopes <5° and high drainage densities. Heather burning and moorland gripping are identified as land management practices likely to increase water discolouration. A statistical model to predict the spatial distribution of water discoloration is developed. The model has utility as a catchment management tool for water quality hazard mapping and catchwater management. The implications for predicting and controlling levels of other variables associated with non-compliance to water quality standards is considered.
Comparison of Structural Models of Mixed-Layer Illite/Smectite and Reaction Mechanisms of Smectite Illitization

This paper compares mechanisms of the reaction of smectite to illite, in light of structural models for interstratified illite/smectite (I/S). The crystal structure of I/S has been described previously by a nonpolar and polar 2:1 layer model. In a nonpolar model, individual 2:1 layers are chemically homogeneous, whereas a polar model assumes a 2:1 layer can have a smectite charge on one side and an illite charge on the other side. Several kinds of data support the polar model; however, more determinations of the negative charge of expandable sites in I/S are needed to confirm such a model.Assuming a polar 2:1 layer model for I/S, we compare the mineralogical and geochemical consequences of several reaction mechanisms for smectite illitization: 1) solid-state transformation (SST), 2) dissolution and crystallization (DC) and 3) Ostwald ripening (OR). Features of an SST model are the replacement of smectite interlayers by illite interlayers, resulting in gradual changes in interlayer ordering, polytype, chemical and isotopic composition and crystal size and shape. Several SST models are possible depending on the nature of the reaction site (framework cations, polyhedra or interlayers). In contrast, DC models allow for abrupt changes in the structure, composition and texture of I/S as illitization proceeds. Several DC models are possible depending on the nature of the rate-controlling step, for example, diffusional transport or surface reactions during crystal growth. The OR model represents the coarsening of a single mineral where the smallest crystals dissolve and nucleate onto existing larger crystals, allowing for evolution in the overgrowth but not in the template crystal.An SST mechanism, involving either reacting polyhedra or reacting interlayers, seems to best model illitization in rock-dominated systems such as bentonite. A DC mechanism seems to best model illitization in fluid-dominated systems such as sandstone and hydrothermal environments. Both DC and SST mechanisms can occur in shale. Differences in reaction mechanism may be related to permeability. An OR model poorly describes illitization because of the progressive mineralogical and chemical changes involved. For many geologic environments, it is important to consider alternate origins for I/S such as kaolinite illitization and detrital. Further work is needed to clarify the DC crystal growth process in terms of a structural model of I/S and to determine which specific SST or DC model best characterizes illitization in geologic systems.
Development of a Colorimetric, Second Generation Nucleic Acid Hybridization Method For Detection of Salmonella in Foods and a Comparison With Conventional Culture Procedure

A new, highly specific colorimetric DNA hybridization method (cDNAH) for detection of Salmonella in foods was developed. It detected 355/362 strains representing 206/213 serovars of Salmonella, and showed no cross-reactivity with 32 different non-Salmonella species, including a variety of Enterobacter and Citrobacter species. The cDNAH method was compared with the BAM/AOAC culture method in two studies: (1) with 20 different inoculated and uninoculated foods overall agreement between the two methods was 99%. (2) with naturally contaminated foods at two independent sites agreement with culture was 99.8% where 9/404 samples were positive for Salmonella.