Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis and Characterization of Highly Soluble and Oxygen Permeable New Polyimides Based on Twisted Biphenyl Dianhydride and Spirobifluorene Diamine

The novel spirobifluorene diamine monomer, 2,7-bis-amino-2‘,7‘-di-tert-butyl-9,9‘-spirobifluorene, was obtained. The new organosoluble polyimides were prepared from spirobifluorene diamine containing bulky tert-butyl group and conventional dianhydrides as well as 2,2‘-bis(4‘ ‘-tert-butylphenyl)-4,4‘,5,5‘-biphenyltetracarboxylic dianhydride (BBBPAn) and 2,2‘-bis(4‘ ‘-trimethylsilylphenyl)-4,4‘,5,5‘-biphenyltetracarboxylic dianhydride (BTSBPAn), which are composed of a noncoplanar twisted biphenyl unit containing bulky p-tert-butylphenyl groups and/or p-trimethylsilylphenyl groups by high-temperature one step polymerization. The structures of polymers were confirmed by various spectroscopic techniques. The weight-average molecular weights and polydispersities of resulting polymers were in the ranges 48 300−183 900 and 2.10−3.26, respectively. The bulky and twisted noncoplanar structural feature confers an enhanced solubility of the polyimides because of a decrease in the degree of molecular packing and crys.
A NEW SIMPLE EQUATION FOR THE PREDICTION OF SOLVENT ACTIVITIES IN POLYMER SOLUTIONS

A new equation for an activity coefficient which includes combinatorial and free volume contributions has been derived from a van der Waals free volume type of expression. The new expression is analogous to the Flory-Huggins combinatorial term. The new free volume activity coefficient is superior to the Flory-Huggins combinatorial in predicting solvent activities in polymer solutions without any energy interactions. For polymer solutions with energy interactions a UNIQUAC residual term is added
Hierarchical Integration Diffusion Model for Realistic Image Deblurring

Diffusion models (DMs) have recently been introduced in image deblurring and exhibited promising performance, particularly in terms of details reconstruction. However, the diffusion model requires a large number of inference iterations to recover the clean image from pure Gaussian noise, which consumes massive computational resources. Moreover, the distribution synthesized by the diffusion model is often misaligned with the target results, leading to restrictions in distortion-based metrics. To address the above issues, we propose the Hierarchical Integration Diffusion Model (HI-Diff), for realistic image deblurring. Specifically, we perform the DM in a highly compacted latent space to generate the prior feature for the deblurring process. The deblurring process is implemented by a regression-based method to obtain better distortion accuracy. Meanwhile, the highly compact latent space ensures the efficiency of the DM. Furthermore, we design the hierarchical integration module to fuse the prior into the regression-based model from multiple scales, enabling better generalization in complex blurry scenarios. Comprehensive experiments on synthetic and real-world blur datasets demonstrate that our HI-Diff outperforms state-of-the-art methods. Code and trained models are available at https://github.com/zhengchen1999/HI-Diff.
Acid anhydrides: a simple route to highly pure organometallic solutions for superconducting films

The presence of impurities in the precursor metal carboxylate solutions for the preparation of epitaxial thin films by metal organic decomposition (MOD) is substantially avoided by the use of acid anhydrides. In particular, trifluoroacetic anhydride (TFAA) was used for the synthesis of the starting Y, Ba and Cu trifluoroacetates used in YBa2Cu3O7−x (YBCO) preparation by the MOD process. In this way, highly stable organometallic precursors and a short pyrolysis process could be used leading to YBCO films with high critical currents (Jc ≥2–4 MA cm−2 at 77 K). Furthermore, the reproducibility of the results has been ascertained.
Effect of Counter Anion in Isotope Exchange Reaction of Strontium

Abstract The effect of counter anion in isotope exchange reaction of strontium was investigated by liquid chromatography using a cryptand (2B, 2, 2) polymer as a stationary phase. Isotope enrichment factors were assumed to be in the order: perchlorate > chloride > nitrate > bromide. The maximum isotope enrichment factor of 84Sr was (13.2 ± 2.2) × 10−3 and the minimum was (4.2 ± 1.2) × 10−3. No isotope enrichment factor showed a linear relation to the difference of atomic masses. The contribution of the field shift in atomic electrons was greater to the isotope enrichment factor than the vibrational frequency shift between an isotope and a ligand. Chloride as a counter anion to strontium was the largest isotope enrichment factor. # This work was mainly carried out at the Department of Nuclear Engineering, Graduate School of Osaka University.
Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials

The accurate description of electronic properties and optical absorption spectra is a long-standing challenge for density functional theory. Recently, the introduction of screened range-separated hybrid (SRSH) functionals for solid-state materials has allowed for the calculation of fundamental band gaps and optical absorption spectra that are in very good agreement with many-body perturbation theory. However, since solid-state SRSH functionals are typically tuned to reproduce the properties of bulk phases, their transferability to low-dimensional structures, which experience substantially different screening than in the bulk, remains an open question. In this work, we explore the transferability of SRSH functionals to several prototypical van der Waals materials, including transition-metal sulfides and selenides, indium selenide, black phosphorus, and hexagonal boron nitride. Considering the bulk and a monolayer of these materials as limiting cases, we show that the parameters of the SRSH functional can be determined systematically, using only the band-edge quasiparticle energies of these extremal structural phases as fitting targets. The resulting SRSH functionals can describe both electronic bandstructures and optical absorption spectra with accuracy comparable to more demanding ab initio many-body perturbation theory (GW and Bethe-Salpeter equation) approaches. Selected examples also demonstrate that the SRSH parameters, obtained from the bulk and monolayer reference structures, display good accuracy for bandstructures and optical spectra of bilayers, indicating a degree of transferability that is independent of the fitting procedure.
Combination of cloud point extraction and flame atomic absorption spectrometry for preconcentration and determination of trace iron in environmental and biological samples

In the presented work, the conditions for cloud point extraction of iron from aqueous solutions using 7-iodo-8-hydroxyquinolin-5-sulphonic acid (Ferron) was investigated and optimized. The procedure is based on the separation of its ferron complex into the micellar media by adding the surfactant Triton X-114. After phase separation, the surfactant-rich phase was dissolved with 1.0 M HNO3 in methanol. Iron was determined by flame atomic absorption spectrometry. Optimization of the pH, ligand and surfactant quantities, incubation time, temperature, viscosity, sample volume, and interfering ions were investigated. The effects of the matrix ions were also examined. The detection limits for three times the standard deviations of the blank for iron was 0.4 ng m L-1, enrichment factor of 19.6 and preconcentration factor of 30 could be achieved. The validity of cloud point extraction was checked by employing real samples including soil, blood, spinach, milk, meat, liver and orange juice samples using the standard addition method, which gave satisfactory results.In the presented work, the conditions for cloud point extraction of iron from aqueous solutions using 7-iodo-8-hydroxyquinolin-5-sulphonic acid (Ferron) was investigated and optimized. The procedure is based on the separation of its ferron complex into the micellar media by adding the surfactant Triton X-114. After phase separation, the surfactant-rich phase was dissolved with 1.0 M HNO3 in methanol. Iron was determined by flame atomic absorption spectrometry. Optimization of the pH, ligand and surfactant quantities, incubation time, temperature, viscosity, sample volume, and interfering ions were investigated. The effects of the matrix ions were also examined. The detection limits for three times the standard deviations of the blank for iron was 0.4 ng m L−1, enrichment factor of 19.6 and preconcentration factor of 30 could be achieved. The validity of cloud point extraction was checked by employing real samples including soil, blood, spinach, milk, meat, liver and orange juice samples using the standard addition method, which gave satisfactory results.
Liquid-crystalline polysiloxanes with fluorene units, and related monomeric compounds

The synthesis of the liquid-crystalline polysiloxanes, 4a, 4b, 5a, 5b with 2,7-disubstituted fluorene units and of the related liquid-crystalline model compounds 2 and 3 is reported. Polymers 4a, 4b, 5a, 5b were prepared from monomers 2 and 3, respectively, and poly(hydrogenmethyl-siloxane) (PHMS) in a polymer-analogous reaction. The liquid-crystalline properties of the polymers and the corresponding low-molecular-weight compounds 2 and 3 were characterized by differential scanning calorimetry (DSC) and polarizing microscopy. Both compounds 2 and 3 show a smectic A and a smectic E mesophase, and the resulting polysiloxanes also exhibit smectic A- and smectic E-like textures but no nematic phase. The clearing point of the polymers is on the average by 100°C higher than that found for the low-molecular-weight compounds.
Fourier expansion in variational quantum algorithms

The Fourier expansion of the loss function in variational quantum algorithms (VQA) contains a wealth of information, yet is generally hard to access. We focus on the class of variational circuits, where constant gates are Clifford gates and parameterized gates are generated by Pauli operators, which covers most practical cases while allowing much control thanks to the properties of stabilizer circuits. We give a classical algorithm that, for an $N$-qubit circuit and a single Pauli observable, computes coefficients of all trigonometric monomials up to a degree $m$ in time bounded by $\mathcal{O}(N2^m)$. Using the general structure and implementation of the algorithm we reveal several novel aspects of Fourier expansions in Clifford+Pauli VQA such as (i) reformulating the problem of computing the Fourier series as an instance of multivariate boolean quadratic system (ii) showing that the approximation given by a truncated Fourier expansion can be quantified by the $L^2$ norm and evaluated dynamically (iii) tendency of Fourier series to be rather sparse and Fourier coefficients to cluster together (iv) possibility to compute the full Fourier series for circuits of non-trivial sizes, featuring tens to hundreds of qubits and parametric gates.
Matrix powers algorithms for trust evaluation in PKI architectures

This paper deals with the evaluation of trust in public-key infrastructures. Different trust models have been proposed to interconnect the various PKI components in order to propagate the trust between them. In this paper we provide a new polynomial algorithm using linear algebra to assess trust relationships in a network using different trust evaluation schemes. The advantages are twofold: first the use of matrix computations instead of graph algorithms provides an optimized computational solution; second, our algorithm can be used for generic graphs, even in the presence of cycles. Our algorithm is designed to evaluate the trust using all existing (finite) trust paths between entities as a preliminary to any exchanges between PKIs. This can give a precise evaluation of trust, and accelerate for instance cross-certificate validation.
Spectroscopy at extreme infra-red wavelenghts. I. Technique

Improved spectroscopic techniques are described for the difficult and relatively unexplored region of the extreme infra-red (between 70 μ and 1 mm wavelength), in which good sources of radiation do not exist. The improvements include the development and application of a superconducting bolometer, whose detectivity is about 100 times superior to that of the best room-temperature detector sensitive at these wavelengths.
FATTY SOILS REMOVAL FROM HARD SURFACES IN A CLEAN‐IN‐PLACE SYSTEM

The kinetics of fatty soil removal from glass surfaces using nonionic biodegradable surfactants has been investigated. For this, mathematical models have been developed, which take into account the equilibrium established between the processes of soil removal from the substrate surface and their subsequent redeposition. The washing tests have been conducted in a continuous-flow device that simulates the conditions found in the clean-in-place system used in the food industry. A mixture of fatty acids (oleic, palmitic and stearic) frequently found in foods, and particularly difficult to remove, was used as the soiling agent. The experimental results show the effect of the different variables assayed (temperature, soiling-agent concentration and surfactant concentration) on the washing process. The good agreement between the experimental detergency values and those predicted by the kinetic model indicate that this is adequate to explain the detersive process on hard surfaces. PRACTICAL APPLICATIONS In food industry, production lines are cleaned in place every day to provide the microbial quality and safety of the products. Moreover, the effectiveness of the cleaning process depends on many factors: temperature, detergent concentrations, hydrodynamic forces, characteristics of substrate, etc. In this work, we have studied the kinetics of the washing process using alkylpolyglucosides and fatty alcohol ethoxylates, both commercial surfactants. The tests were performed in a laboratory device that simulates the clean-in-place processes widely used in food industries. A mixture of fatty acids commonly found in foods was used as the soiling agent. A kinetic model assuming a process combining removal and deposition during the cleaning was developed. This model, which satisfactorily predicts the detergency data obtained under different experimental conditions, could be of great practical utility since it can help develop more effective detergent formulations.
LIGNANS AND FLAVONOIDS ISOLATED FROM CUSCUTA RACEMOSA MART. & HUMB (CONVOLVULACEAE) BY DROPLET COUNTER-CURRENT CHROMATOGRAPHY

Lignans and flavonoids were isolated from Cuscuta racemosa Mart. & Humb (Convolvulaceae) by Droplet Counter-Current Chromatography (DCCC). The solvent system was composed of hexane/ethyl acetate/methanol/water (1:2:1:1, v/v). In this experiment it was possible to isolate six substances: 9α-hydroxysesamin, 9β-hydroxysesamin, kaempherol, acuminatolide, quercetin, and pinoresinol. The chemical structures of the six substances were elucidated by NMR and GC-MS.
Effect of aluminum on variations in the proteins in pineapple roots

Abstract Aluminum (Al) is biotoxic, often active in acid soil and retards the growth of crop roots. Cayenne is a type of pineapple cultivar that can be well cultivated in a strongly acid environment containing AlCl3 concentrations up to 300 μmol L−1. In addition to organic acids, variations in the proteins in root apices are regarded as the mechanism involved in Al resistance. The objective of the present study was to explore the responsive proteins of Al stress in a known Al-resistant pineapple cultivar (i.e. Cayenne). After root emergence, pineapple seedlings were exposed to hydroponic solutions each containing 0 and 300 μmol L−1 AlCl3 for 4 weeks. The total proteins in the root apices were separated using 2-D electrophoresis and a total of 17 apparently differential spots were identified by mass spectrometry, with 10 upregulated and seven downregulated proteins. The root apices of Cayenne under Al stress could be characterized by cellular activities involved in, for example, carbohydrate metabolism, organic acid production, energy metabolism, alleviating redox damage and root phenotypical change, which are critical for plant survival under Al toxicity. In contrast, there are one hypothetical and three unknown proteins that play unknown roles in Al resistance and warrant further investigation. The present study may provide an important clue to future proteomic research on Al-resistant mechanisms in pineapple.
Passive Ranging Using Atmospheric Oxygen Absorption Spectra

Abstract : The depth of absorption bands in observed spectra of distant, bright sources can be used to estimate range to the source. A novel approach is presented and demonstrated using observations of the oxygen absorption band near 762 nm. Range is estimated by comparing observed values of band-average absorption against curves derived from either historical data or model predictions. Curves are based on fitting a random band model to the data, which reduces average range error by 67% compared to the Beer's Law model used in previous work. A new modification to existing band models for long, inhomogeneous paths is presented and shown to reduces error 50% in short-range experiments. A static rocket motor test was observed using a Fourier transform spectrometer at a range of 2.8 km. The range estimated from this data was accurate to within 0.5% (14 m). Similar accuracy was also achieved at shorter ranges using a lamp as a surrogate target. Long-range performance is predicted by using FASCODE and theoretical models to extrapolate observed short-range performance. Range error of 5% or less is predicted at ranges up to 400 km for a representative target.
Alkalinity, temporary (CO2) and permanent acidity: an empirical assessment of the significance of field and laboratory determinations on mine waters

ABSTRACT Fifteen English mine waters have been sampled and been subject to field determinations of alkalinity, pH and ‘cold’ acidity. Furthermore, acidity has been re-determined following stripping with compressed N2 gas and after boiling (‘hot’ field acidity). The difference between cold and hot acidity appears to reflect the temporary (CO2) acidity content of the water and is typically > 3 meq/l and reaches 15 meq/l in one case. N2 stripping is less effective at removing CO2 from the waters, although may represent a promising technique if employed for longer durations. While hot acidity is typically of the same order of magnitude as calculated permanent (metal plus proton) acidity, a poor degree of correlation is most probably due to a failure to implement the ‘hot peroxide’ acidity determination (incorporating neutralization of alkalinity and active peroxide oxidation of reduced metals, in addition to boiling) which is regarded as standard practice in the USA.
Temperature and Pressure Dependence of Self Diffusion in Long Liquid n‐Alkanes

A titanium autoclave for the determination of self diffusion coefficients by the pulsed field gradient spin-echo method is described, that has been used in the temperature range between 200 and 500 K at pressures up to 600 MPa. —In a first series of experiments, melts of n-alkanes with chain lengths between 16 and 154 carbon atoms were studied. The data are analyzed with modifications of the hard sphere model and tested against the Rouse- and reptation model.
Two-layered phantom experiments for characterizing the influence of a fat layer on measurement of muscle oxygenation using NIRS

Two-layered phantom experiments were performed to examine the influence of a fat layer on measurement of muscle oxygenation using near-IR spectroscopy (NIRS). The phantom consisted of a fat-like layer and a muscle-like layer which were a mixture of agar and TiO2 powder and a suspension of washed bovine blood into 0.55 percent intralipid solution. An LED including 760 and 840 nm elements was used as the optical source, and the reflectance light was detected by photodiodes at source-detector distances of 20, 30 and 40 mm. Curves of optical density changes versus blood volume ratio were obtained with fat-like layer thickness of 0, 5, 10 and 15 mm. It was found that the change in optical density is significantly decreased and that the linearity of measurement characteristics clearly deteriorated by the presence of a fat layer. This strongly suggests that a new algorithm is needed for muscle oxygenation measurement to eliminate the influence of a fat layer. In addition to the phantom experiments, Monte Carlo simulations corresponding to the experiments were performed. Although the simulations showed similar results concerning the influence of a fat layer, it was noted that the changes in optical density obtained from simulations were lower than those of the phantom experiments. This discrepancy was though to be due to the light scattering caused by blood cells.
Influence of Particle Characteristics on Filter Ripening

Abstract To investigate the dependence of filter ripening on particle size and surface charge, multiple experiments were conducted under different particle destabilization conditions including pH control, alum, and polymer destabilization. Laboratory‐scale filtration experiments were performed at a filtration velocity of 5 m/h using spherical glass beads with mean diameter of 0.55 mm as collectors. Particle suspensions with a broad size distribution and a 1.7 µm mean particle size were filtered through a 10 cm depth filter column. Better initial solids removal was confirmed under favorable particle and collector conditions (i.e., under smaller surface charge), but better initial particle removal does not necessarily mean better overall particle removal efficiency. It was shown that changes of the particle size distribution (PSD) in the effluent can significantly influence overall particle removal efficiency. Chemical parameters such as zeta potential can be important during the initial stage of filtration, but their importance can decrease over time depending on the specific chemical conditions. The influent PSD and the removal of certain size particles during the initial stage of filtration can significantly influence ripening, which in turn, can influence the overall particle removal efficiency.
A New Photoionization Model of the Narrow-line Region in Active Galactic Nuclei

The photoionization model of narrow-line regions in active galactic nuclei (AGNs) has been investigated for decades. Many published models are restricted to simple linear scaling abundance relations, dust-free assumption, uniform AGN radiation field, and using one specific photoionization code, which restricts them from providing a satisfactory prediction on a broad range of AGN observations. Through a comprehensive investigation, here we present how the choice of abundance scaling relations, dust inclusion, AGN radiation fields, and different photoionization codes CLOUDY and MAPPINGS affect the predictions on the strength of strong UV, optical, and infrared emission lines. We find the dust-depleted radiation-pressure-dominated AGN model built with the latest nonlinear abundance sets and photoionization code MAPPINGS V are consistent with AGN observations across a broad range of wavelengths. We also assess new potential H ii-AGN separation diagrams in the optical and UV wavelengths.