Miracle-dz/UniFAR-FTUs huggingface dataset:
Three-Dimensional Combined Finite-Discrete Element Modeling of Shear Fracture Process in Direct Shearing of Rough Concrete–Rock Joints

A three-dimensional combined finite-discrete element element method (FDEM), parallelized by a general-purpose graphic-processing-unit (GPGPU), was applied to identify the fracture process of rough concrete–rock joints under direct shearing. The development process of shear resistance under the complex interaction between the rough concrete–rock joint surfaces, i.e., asperity dilatation, sliding, and degradation, was numerically simulated in terms of various asperity roughness under constant normal confinement. It was found that joint roughness significantly affects the development of overall joint shear resistance. The main mechanism for the joint shear resistance was identified as asperity sliding in the case of smoother joint roughness and asperity degradation in the case of rougher joint asperity. Moreover, it was established that the bulk internal friction angle increased with asperity angle increments in the Mohr–Coulomb criterion, and these results follow Patton’s theoretical model. Finally, the friction coefficient in FDEM appears to be an important parameter for simulating the direct shear test because the friction coefficient affects the bulk shear strength as well as the bulk internal friction angle. In addition, the friction coefficient of the rock–concrete joints contributes to the variation of the internal friction angle at the smooth joint than the rough joint.
Transcriptomic Analysis Reveals Salt Tolerance Mechanisms Present in Date-Plum Persimmon Rootstock (Diospyros lotus L.)

Agriculture needs solutions for adapting crops to increasing salinity globally. Research on physiological and molecular responses activated by salinity is needed to elucidate mechanisms of salinity tolerance. Transcriptome profiling (RNA-Seq) is a powerful tool to study the transcriptomic profile of genotypes under stress conditions. Persimmon species have different levels of tolerance to salinity, this variability may provide knowledge on persimmon species and development of salt--tolerant rootstocks. In this study, we conducted a physiological and transcriptomic profiling of roots and leaves in tolerant and sensitive plants of persimmon rootstock grown under saline and control conditions. Characterization of physiological responses along with gene expression changes in roots and leaves allowed the identification of several salt tolerance mechanisms related to ion transport and thermospermine synthesis. Differences were observed in putative H+/ATPases that allow transmembrane ionic transport and chloride channel protein-like genes. Furthermore, an overexpression of thermospermine synthase found in the roots of tolerant plants may indicate that alterations in root architecture could act as an additional mechanism of response to salt stress. These results indicate that Diospyros lotus L. exhibits genetically-controlled variability for salt tolerance traits which opens potential opportunities for breeding salt-tolerant persimmon rootstocks in a Mediterranean environment challenged by drought and salinity.
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation

Extraction of essential oil from Nigella sativa seed collected at two locations in the Sahara desert, Timimoun (T) and Adrar (A), has been conducted by hydrodistillation (HD) and a microwave distillation process (MD). The composition of the volatile oil was investigated by capillary gas chromatography and gas chromatography-mass spectrometry. Using the hydrodistillation, active compounds such as p-cymene (8.9 and 7.2% in T and A, respectively), 4-terpineol (0.6-8.9%), thymohydroquinone (6.1-12.2%), thymoquinone (1.6-21.8%), carvacrol (12.9-12.9%), carvone (4.4-0.3%) and thymol (1.5-0.7%) were the major components, representing more than 36% (T) and 64% (A) of the oils. For the microwave distillation, p-cymene (28.1% and 32.0% in T and A, respectively), 4-terpineol (3.4-2.0%), thymohydroquinone (0.7-1.1%), thymoquinone (10.8-24.6%), carvacrol (3.0-6.0%), and thymol (0.3-0.3%) represent respectively 46.1% and 66.0% of the T and A oils.
Diffusion of Acetone into Polyvinyl Acetate above and below the Second‐Order Transition

The sorption kinetics for the system polyvinyl acetate‐acetone have been investigated both above and below 30°C, the second‐order transition temperature for the pure polymer. At 30, 40, and 50°C, the diffusion obeys Fick's law with a concentration‐dependent diffusion coefficient. With increasing acetone concentration the value of the diffusion coefficient increases strongly, and the energy of activation for diffusion decreases. At each temperature below 30°C, diffusion is Fickian only for sorption and desorption experiments where the solvent concentration is above a certain critical value. It was found, by comparison with the results of volume‐temperature measurements on the system polyvinyl acetate‐acetonyl acetone, that the temperature corresponding to a given critical concentration is the second‐order transition temperature for this polymer‐solvent mixture. Evidently, the changes which occur at the second‐order transition have a pronounced influence on the diffusion process.
Blueberries: A “Super Fruit” Complement to Cereals

Cereals and blueberries can be combined in a healthy meal that is rich in fiber and polyphenols yet low in calories and fat. Blueberries have become a leading berry crop in the United States, and their high antioxidant potential has earned them classification as a “super fruit” in the popular literature. The health benefits of blueberries have been attributed mainly to their high plant polyphenols content, including anthocyanins, which can boost memory and feelings of well-being, activate detoxifying enzymes, and decrease chronic inflammation. Blueberries and cranberries, a close relative, are also rich in proanthocyanidins, which can enhance the ability of cereal fiber to act as a prebiotic and to regulate sugar spikes. Resveratrol is a compound present in foods, including blueberries, that is associated with anticancer, anti-inflammatory, and antidiabetic properties. Pterostilbene, a similar yet more bioavailable and bioactive phytochemical, has also been identified in blueberries. The beneficial compou.
Characterization and evaluation of the photocatalytic activity of oxides based on TiO2 synthesized by hydrolysis controlled by the use of water/acetone mixtures

New photocatalysts based on TiO2 were synthesized and characterized. The synthesis involved the controlled hydrolysis of titanium tetraisopropoxide using water containing different proportions of acetone. X-ray diffraction analyses combined with Raman spectroscopy revealed crystalline oxides characterized by the coexistence of the anatase and brookite phases. The Rietveld refinement of diffractograms showed that the presence of acetone in the synthesis process influenced the composition of these crystalline phases, with the proportion of brookite growing from 13% to 22% with the addition of this solvent in the synthesis process. The BET isotherms revealed that these materials are mesoporous with surface area approximately 12% higher than that of the oxide prepared from hydrolysis using pure water. The photocatalytic potential of these oxides was evaluated by means degradation tests using the dyes Ponceau 4R and Reactive Red 120 as oxidizable substrates. The values achieved using the most efficient photocatalyst among the synthesized oxides were, respectively, 83% and 79% for mineralization, and 100% for discoloration of these dyes. This same oxide loaded with 0.5% of platinum and suspended in a 5:1 v/v water/methanol mixture, produced 56 mmol of gaseous hydrogen in 5 h of reaction, a specific hydrogen production rate of 138.5 mmol h−1g−1, a value 60% higher than that achieved using TiO2 P25 under similar conditions.
Statistical Regression Analysis of Breakages in Cold Rolling

The maximum probability of strip’s breakage during the cold rolling is observed when the values of edge wedge are greater than 150 microns and the saddle coefficient is less than -0.075 and greater than 0.050. It is also shown that there is a pronounced synergistic effect of influence of combination of the saddle coefficient and the edge wedge on the breakage of the strip. When the edge wedge is reduced below 50 microns, the saddle coefficient ceases to affect the breakage of the strip during the cold rolling. At the same time, when the edge wedge is higher than 160 microns, the breakage is minimal with the saddle coefficient in the range from 0 to 0.025.
Sensitive Determination of Amantadine in Microdialysis Samples from Rat Plasma by HPLC with Fluorescence Detection

A new and sensitive high-performance liquid chromatography (HPLC) method with 10-methyl-acridone-2-sulfonyl chloride (MASC) as pre-column fluorescence labeling reagent was developed for the determination of amantadine in microdialysis samples from rat plasma. The HPLC sensitivity of amantadine was greatly enhanced by introducing MASC with large conjugated structure and excellent fluorescence property into the amantadine molecule. The limit of detection was 6.8 ng mL−1 and only 30 μL sample was needed for the pharmacokinetic study. The linearity range was 25–500 ng mL−1 with correlation coefficients of 0.9989. The proposed method was successfully applied to the determination of amantadine in microdialysis samples from rat plasma. It also shows powerful potential for the pharmacokinetic study of compounds with amino group.
Interconversions among the E⇆Z-Carotene Isomers: Theoretical Study

The Minnesota functionalM062xwith 6-31+G(d, P) basis set has been employed to study interconversions among all-E-, 9Z-, 13Z- and 15Z-β-carotene isomers. Calculations provided essential data concerning the thermodynamic stabilities, the rate constants, activation energies, and HOMO and LUMO of all E⇆Z interconversions of β-carotene. The rate constants for the E⇆Z interconversions have been obtained with the transition-state theory based on the potential energy surface. In terms of energy, all-E-isomer was more stable than the Z-isomers, and the formation of the 9Z-isomer was the slowest interconversion, and raising the temperature increased the rate of interconversions. The tunnelling effect was negligible, and it was not taken into account in determining the rate constant of the E⇆Z interconversions.
Mitochondrial Transplantation Improves Stroke-induced Brain Injury: Possible Involvement of Selective Component Recombination

Background: Ischemic stroke results in high morbidity and mortality, and mitochondrial dysfunctions play a crucial role in the associated pathological process. Although exogenous mitochondria were used to treat ischemic stroke-induced brain injury, its effects and related mechanisms remain poorly understood, as is the fate of exogenous mitochondria during/after internalization by targeted cells.Methods: The mitochondrial morphology, membrane potential, DNA copy number, mitochondrial stress, metabolic characteristics and tumorigenicity of mNSCs and Neuro-2a cells were evaluated. Hypoxia/reoxygenation-induced cell injury was performed, and after mitochondrial supplementation, the viability, ROS levels, apoptosis and transcriptomic changes were assessed by CCK-8, DCHF-DA probes, flow cytometry, WB and next-generation sequencing analyses. The fate of exogenous mitochondria was further explored using fluorescent dyes and fusion protein analyses during/after internalization by targeted cells. Rat tMCAO models were generated using a suture-occluded method, and at 24 h after mitochondrial transplantation, behavioral changes and brain infarction areas were estimated by multiple score scales and TTC staining, respectively.Results: In this research, we found that mitochondria of Neuro-2a cells had some notable differences compared to that of mNSCs on mitochondrial membrane potential, DNA copy number, stress response and metabolic characteristics, but their shapes were similar and were both no tumorigenicity. Exogenous mitochondrial treatment could increase the cellular viability in an oxygen-dependent pattern, decrease the cellular ROS generation and apoptosis, and alter the transcriptomic characteristics after subjected to hypoxia/reoxygenation in vitro. Selective component recombination might occur during/after internalization of exogenous mitochondria by host cells and was observed with mitochondrial fluorescent dyes and engineered fusion protein. Moreover, mitochondrial transplantation could significantly improve tMCAO-induced rat neurobehavioral deficiency and brain infarction.Conclusions: The results of our present study offer a promising therapeutic strategy for ischemia/reperfusion-induced brain injury and provide preliminary insights regarding the effects and fate of exogenous mitochondria during/after being internalized into host cells.
Debt-Growth Nexus in the MENA Region: Evidence from a Panel Threshold Analysis

This study examines whether a debt-to-GDP threshold exists in the public debt and economic growth relationship for 20 Middle East and North Africa (MENA) countries from 1990 to 2016 using the threshold estimation technique. The empirical results reveal that there is a threshold effect in the public debt and economic growth relationship. The MENA region’s debt-to-GDP threshold value as a developing region is lower than the debt threshold computed by earlier studies for developing countries. We found that the effect of public debt on economic growth is significant and positive only below the threshold value of debt-to-GDP. More precisely, debt has a promoting influence on economic growth when the debt is less than 58% of the GDP. This finding indicates that the relationship between public debt and economic growth is contingent on the debt-to-GDP ratio. Importantly, policymakers need to be more prudent when establishing a policy regarding debt issues.
Investigation of deep drawing of lightweight bimetallic Al1050/SS304 sandwich composite cup

The effect of geometrical and process parameters on the deep drawing behavior of Aluminium (Al1050)/Steel (SS304) bimetallic axis-symmetric sandwich composite cup is analyzed by using numerical and experimental approaches. The parameters are selected focusing on the elimination of defects like thinning, thickening, tearing, and wrinkling. The explicit deep drawing analysis of the cylindrical cup is carried out by using the finite element software package. The obtained numerical results are utilized for the optimization and identification of significantly influencing parameters using Taguchi and ANOVA techniques and further validated by performing an experimental test. The effectiveness in the utilization of the Al1050/SS304 sandwich composite sheet for deep drawing of cups is proved by comparing it with the deep drawing of the SS304 sheet. The results suggest that the sandwich composite cup under investigation can be drawn successfully with the higher limiting drawing ratio and low thickness variation. The obtained maximum limiting drawing ratio (2.08) showed that the higher formability of the Al1050/SS304 sandwich composite sheet is possible by a sandwich of the SS304 sheet with an Al1050 sheet.
Smiling Earth—Raising Awareness among Citizens for Behaviour Change to Reduce Carbon Footprint

This paper describes Smiling Earth, a mobile app to increase citizens’ awareness about their own carbon footprint, by integrating energy and transport-related data. The main aim of our work is to explore the ways in which Information and Communication Technologies could help raise awareness and educate and motivate citizens about their actions and their consequences on the environment. Smiling Earth provides feedback to users by visualising data about their daily activities with the aim to motivate citizens to change their behaviour to reduce their CO2 emissions by adopting a healthier lifestyle. The value of the Smiling Earth for individuals, cities and communities is discussed. The feedback from an expert evaluation and how Smiling Earth could contribute to Positive Energy Districts are also discussed.
Efficient removal of radiocobalt and manganese from their binary aqueous solutions by batch adsorption process using PAN/HDTMA/KCuHCF composite

Abstract Simultaneous removal of radiocobalt and manganese by adsorption onto polyacrylonitrile/hexadecyltrimethylammonium bromide/potassium copper hexacyanoferrate (PAN/HDTMA/KCuHCF) composite was studied. The synthesized composite was characterized by Fourier-transformed infrared (FT-IR), thermogravimetric analysis (TGA) and X-ray diffraction (XRD). The influence of the solution pH was studied in the range 1.5–7.8 and the results showed the effectiveness of the synthesized composite for simultaneous adsorption of radiocobalt and manganese in the pH range 2.5–6 at an adsorbent mass of 4 g/L. Adsorption kinetic data of manganese at the studied concentrations were best fitted by pseudo-second-order kinetic model and the diffusion study showed that the adsorption process was controlled by film diffusion. Thermodynamic parameters (ΔGo, ΔHo and ΔSo) were estimated and the results indicated that adsorption processes of the concerned (radio)toxicants were spontaneous and endothermic in nature. Of the studied isotherm models, Freundlich and Langmuir were the best ones for describing the adsorption isotherm data of radiocobalt and manganese, respectively. The adsorption capacity of PAN/HDTMA/KCuHCF was found to be 23.629 (for radiocobalt) and 62.854 (for manganese). Desorption of Radiocobalt and manganese loaded onto PAN/HDTMA/KCuHCF composite was studied using various desorbing agents at different concentrations.
Crystal structure of (1R,2S,3R,5S)-2-(dimethylphenylsilyl)- 6-oxobicyclo[3.2.0]hept-3-yl acetate, C17H22O3Si

C17H22O3S1, oithorhombic, P2\2\2\ (No . 19), a = 11.221(1) Ä, b= 11.261(1) k,c= 13.165(2) Ä, V= 1663.5 Ä 3 , Z = 4, Rgl(F) = 0 . 035, wR(F) = 0 . 105, T= 293 K. Source of material Enant iopure ( l t f , 2 S , 3 f l , 5 S ) 2 ( d i m e t h y l h e n y l s i l y l ) 6 o x o b icyc lo [3 . 2 . 0 ]hept -3 -y l acetate has been synthes ized by an allylmetallation/intramolecular [2+2] cycloaddit ion sequence [1]. Discussion The configuration at the four stereogenic centers is IR,2S,3R,5S. The 5-membered ring adopted an envelope conformation ACs(C3) = 3.2° [2]. The cyclobutanone is planar with endocycl ic torsion angles less than 2°. Table 3. Atomic coordinates and displacement parameters (in Ä). Crystal: colourless, parallelipiped, size 0 . 12x0 . 16x0 . 24 mm Wavelength: Cu Ka radiation (1.54178 Ä) μ: 13.04 cm"' Diffractometer, scan mode: Huber, Θ/2Θ 29max: 135.08° N(hkl)measured, N(hkl)unique: 3303, 3000 Criterion forF0bs, iV(M/)gt: Fobs > 2 a(fobs), 2892 N(param) ref,ned: 249 Programs: SHELXS-86 [3], SHELXL-93 [4], PLUTO [5] Table 2. Atomic coordinates and displacement parameters (in A ). Atom Site X y ζ i/iso H(11A) 4a 0.2144(3) 0.4490(3) 0.4678(2) 0.093(2) H(11B) 4 a 0.1722(3) 0.5720(3) 0.5104(2) 0.093(2) H(11C) 4 a 0.0840(3) 0.4929(3) 0.4476(2) 0.093(2) H(l) 4a 0.349(3) 0.096(3) 0.758(2) 0.093(2) H(2) 4 a 0.155(3) 0.103(3) 0.743(2) 0.093(2) H(3) 4a 0.060(3) 0.270(3) 0.704(3) 0.093(2) H(4A) 4 a 0.154(3) 0.305(3) 0.851(3) 0.093(2) H(4B) 4 a 0.204(3) 0.411(3) 0.794(3) 0.093(2) H(5) 4 a 0.354(3) 0.260(3) 0.865(3) 0.093(2) H(7A) 4a 0.496(3) 0.166(3) 0.663(2) 0.093(2) H(7B) 4 a 0.401(3) 0.227(3) 0.593(3) 0.093(2) H(14A) 4 a -0.041(3) 0.143(3) 0.559(2) 0.093(2) H(14B) 4a -0.025(3) 0.033(3) 0.631(3) 0.093(2) H(14C) 4a -0.019(3) 0.001(3) 0.499(3) 0.093(2) H(15A) 4 a 0.314(3) 0.117(3) 0.452(2) 0.093(2) H(15B) 4 a 0.196(3) 0.092(3) 0.393(3) 0.093(2) H(15C) 4 a 0.209(3) 0.192(3) 0.441(3) 0.093(2) H(17) 4 a 0.367(3) -0.092(3) 0.488(3) 0.093(2) H(18) 4 a 0.443(3) -0.265(3) 0.530(3) 0.093(2) H(19) 4a 0.371(3) -0.388(3) 0.658(3) 0.093(2) H(20) 4 a 0.195(3) -0.321(3) 0.749(2) 0.093(2) H(21) 4 a 0.131(3) -0.131(3) 0.711(3) 0.093(2) Atom Site X ζ f /u U22 t /33 Un i/13 U2} C(l) 4 a 0.3276(2) 0.1598(2) 0.7304(2) 0.064(1) 0.0401(9) 0.053(1) 0.0091(9) -0.005(1) 0.0016(8) C(2) 4 a 0.1993(2) 0.1460(2) 0.6920(2) 0.059(1) 0.0412(9) 0.0460(9) -0.0019(8) 0.0049(8) 0.0041(7) C(3) 4 a 0.1436(2) 0.2688(2) 0.7026(2) 0.057(1) 0.050(1) 0.050(1) 0.0056(8) 0.0081(8) 0.0053(8) C(4) 4 a 0.2006(2) 0.3231(2) 0.7966(2) 0.086(2) 0.054(1) 0.050(1) 0.013(1) 0.007(1) -0.0031(9) C(5) 4 a 0.3259(2) 0.2722(2) 0.8002(2) 0.081(1) 0.049(1) 0.048(1) 0.006(1) -0.011(1) -0.0024(8) * Correspondence author (e-mail: tinant@cpmc.ucl.ac.be)
New SOA Treatments Within the Energy Exascale Earth System Model (E3SM): Strong Production and Sinks Govern Atmospheric SOA Distributions and Radiative Forcing

Secondary organic aerosols (SOA) are large contributors to fine particle mass loading and number concentration and interact with clouds and radiation. Several processes affect the formation, chemical transformation, and removal of SOA in the atmosphere. For computational efficiency, global models use simplified SOA treatments, which often do not capture the dynamics of SOA formation. Here we test more complex SOA treatments within the global Energy Exascale Earth System Model (E3SM) to investigate how simulated SOA spatial distributions respond to some of the important but uncertain processes affecting SOA formation, removal, and lifetime. We evaluate model predictions with a suite of surface, aircraft, and satellite observations that span the globe and the full troposphere. Simulations indicate that both a strong production (achieved here by multigenerational aging of SOA precursors that includes moderate functionalization) and a strong sink of SOA (especially in the middle upper troposphere, achieved here by adding particle‐phase photolysis) are needed to reproduce the vertical distribution of organic aerosol (OA) measured during several aircraft field campaigns; without this sink, the simulated middle upper tropospheric OA is too large. Our results show that variations in SOA chemistry formulations change SOA wet removal lifetime by a factor of 3 due to changes in horizontal and vertical distributions of SOA. In all the SOA chemistry formulations tested here, an efficient chemical sink, that is, particle‐phase photolysis, was needed to reproduce the aircraft measurements of OA at high altitudes. Globally, SOA removal rates by photolysis are equal to the wet removal sink, and photolysis decreases SOA lifetimes from 10 to ~3 days. A recent review of multiple field studies found no increase in net OA formation over and downwind biomass burning regions, so we also tested an alternative, empirical SOA treatment that increases primary organic aerosol (POA) emissions near source region and converts POA to SOA with an aging time scale of 1 day. Although this empirical treatment performs surprisingly well in simulating OA loadings near the surface, it overestimates OA loadings in the middle and upper troposphere compared to aircraft measurements, likely due to strong convective transport to high altitudes where wet removal is weak. The default improved model formulation (multigenerational aging with moderate fragmentation and photolysis) performs much better than the empirical treatment in these regions. Differences in SOA treatments greatly affect the SOA direct radiative effect, which ranges from −0.65 (moderate fragmentation and photolysis) to −2 W m−2 (moderate fragmentation without photolysis). Notably, most SOA formulations predict similar global indirect forcing of SOA calculated as the difference in cloud forcing between present‐day and preindustrial simulations.