Miracle-dz/UniFAR-FTUs huggingface dataset:
Dynamic response of light absorption by PM2.5 bound water-soluble organic carbon to heterogeneous oxidation

Abstract Along with greenhouse gases, worldwide biomass-burning events add substantial amounts of a complex optical system consisting of elemental carbon and organic particulate matter to the atmosphere. These particulate matters significantly affect the Earth’s radiation balance as well as perturb the precipitation pattern. Considerable attention has been given to the impact of physicochemical transformation or aging on the optical properties of aqueous solution (a homogeneous medium) of light-absorbing fractions of the organic particulate matter. However, their heterogeneous photochemical aging remains largely unexplored. This experimental study explores heterogeneous absorbance photo-bleaching kinetics of the water-soluble organic-carbon (WSOC) intrinsic to from rice straw smoldering smoke. In the wavelength region of 280–400 nm, the absorption ability decreased consistently with aging while a characteristic initial increase of absorption was observed in the 400–500 nm intervals, which again decreased with further aging. The dynamic light absorptivity of the WSOC may not be related to the corresponding mass concentrations. The relative quantum efficiency of the heterogeneous aging of these WSOC was estimated to be (0.01‒0.3) %. The kinetic results suggest that their half-life could be nearly a week under ambient solar radiation. Copyright © 2019 American Association for Aerosol Research
Design of a new 3D‐printed joint plug

This article introduces a kit of parts as a novel three dimensional (3D) printed joint plug, in which each of the parts function cooperatively to treat cartilage damage in joints of the human body (e.g. hips, wrists, elbow, knee and ankle). Two 3D printed scaffolds are involved in this plug: one of which is a hard scaffold (Bone Portion) to accommodate bone cells, while the other is a 3D printed soft scaffold (Cartilage Portion) overlying the Bone Portion to accommodate chondrocytes. Both scaffolds can have gradient configurations. The third part of joint plug is a permeable membrane, termed Film, to cover the entire plug to provide coordinated sliding of the joint during the regeneration of the cartilage. Retention of the chondrocytes in their proper location is a major challenge in cell therapy of joints; in our plug, the Film is responsible for both this and allowing nutrients to diffuse through the membrane. The kit of the joint plug may further include a fourth part, called the Barrier, which is a membrane with small pore size to assist the Bone Portion in avoiding the loss of chondrocytes from the Cartilage Portion beyond the Barrier. Various engagement means among the parts of the plug are assumed, which are discussed in this paper. Moreover, the detailed design criteria and selection of suitable materials for different parts of the joint plug are elaborated. The 3D printing practice allows the plug to be personalized and fabricated to fit the shape and size of the target joint and the injured section. Also discussed are the different configuration options of the plug to be implanted in a joint, through consideration of seeding the relevant cells in different parts. Although the focus of this paper is on the design, a brief overview of a prototype using specific material and engagement means are presented.
Wet deposition of inorganic ions in 320 cities across China: spatio-temporal variation, source apportionment, and dominant factors

Abstract. The acid deposition has been considered to be a severe environmental issue in China. The pH, electrical conductivity (EC), and concentrations of water soluble ions (NO3-, Cl−, Ca2+, K+, F−, NH4+, Mg2+, SO42-, and Na+) in the precipitation samples collected from 320 cities during 2011–2016 across China were measured. The mean concentrations of F−, NO3-, and SO42- were in the order of winter (6.10, 19.44, and 45.74 µeq L−1) > spring (3.45, 13.83, and 42.61 µeq L−1) > autumn (2.67, 9.73, and 28.85 µeq L−1) > summer (2.04, 7.66, and 19.26 µeq L−1). Secondary ions (SO42-, NO3-, and NH4+) and F− peaked in the Yangtze River Delta (YRD) and Sichuan basin (SB). Crustal ions (i.e. Ca2+, Mg2+), Na+, and Cl− showed the highest concentrations in the semi-arid regions and the coastal cities. The statistical methods confirmed that the mean anthropogenic contribution ratios to SO42-, F−, NO3-, and NH4+ at a national scale were 46.12 %, 71.02 %, 79.10 %, and 82.40 %, respectively. However, Mg2+ (70.51 %), K+ (77.44 %), and Ca2+ (82.17 %) mostly originated from the crustal source. Both Na+ (70.54 %) and Cl− (60.42 %) were closely linked to sea salt aerosols. On the basis of the stepwise regression (SR) analysis, it was proposed that most of the secondary ions and F− were closely related to gross industrial production (GIP), total energy consumption (TEC), vehicle ownership, and N fertilizer use, but the crustal ions (Ca2+ and K+) were mainly controlled by the dust events. The influence of dust days, air temperature, and wind speed on ions increased from southeast China (SEC) to central China, and then to northwest China (NWC), whereas the influence of socioeconomic factors on acid ions (SO42- and NO3-) displayed the higher value in east China.
Tailoring Triple‐Anion Perovskite Material for Indoor Light Harvesting with Restrained Halide Segregation and Record High Efficiency Beyond 36%

Indoor photovoltaics are promising to enable self‐powered electronic devices for the Internet of Things. Here, reported is a triple‐anion CH3NH3PbI2−xBrClx perovskite film, of which the bandgap is specially designed for indoor light harvesting to achieve a record high efficiency of 36.2% with distinctive high open circuit voltage (Voc) of 1.028 V under standard 1000 lux fluorescent light. The involvement of both bromide and chloride suppresses the trap‐states and nonradiative recombination loss, exhibiting a remarkable ideality factor of 1.097. The introduction of chloride successfully restrains the halide segregation of iodide and bromide, stabilizing the triple‐anion perovskite film. The devices show an excellent long‐term performance, sustaining over 95% of original efficiency under continuous light soaking over 2000 h. These findings show the importance and potential of I/Br/Cl triple‐anion perovskite with tailored bandgap and suppressed trap‐states in stable and efficient indoor light recycling.
Decoding the signature of molecular mechanism involved in mutation associated resistance to 1, 3-benzothiazin-4-ones (Btzs) based DprE1 inhibitors using BTZ043 as a reference drug

ABSTRACT Different resistant strains of M. tuberculosis (Mtb) highlight the urgent need of novel anti-tubercular drugs. In mycobacteria, decaprenyl-phosphoryl-β-D-ribose 2’-oxidase (DprE1) is an appealing enzyme to target as it is involved in the biosynthesis of cell wall component arabinogalactan.1, 3-benzothiazin-4-ones (BTZs) based drugs are promising irreversible inhibitors of DprE1. However, a single point mutation of Cys387Ser in DprE1 results in the development of resistance to these drugs. Herein, we made an effort to decode the molecular mechanism of Cys387Ser DprE1 mutation associated resistance in Mtb against BTZs using different in silico techniques. Since the 3D crystal structure of mutant Cys387Ser protein is not yet been solved, thus the homology model was also developed using 4P8N as a template protein with 99.8% homology with the target protein. The computational results suggested that the factors like HOMO–LUMO energy gap, Burgi-Dunitz angle and distance support the covalent inhibition of wild DprE1 by 1, 3-benzothiazin-4-ones class of drugs, using BTZ043 as a reference drug and the same factors support the cause of resistance in case of Cys387Ser mutation. On the basis of these results, it was concluded that BTZ043 can efficiently inhibit the wild type DprE1 than mutant DprE1.
In-vitro Antimicrobial Susceptibility and Phytochemical Constituents of Methanol Leaf Extract of Prosopis africana against Some Selected Microorganisms

Introduction: The idea that certain plants had healing potential was known long before human beings discovered the existence of pathogens. Methodology: The crude methanolic leaf extract of Prosopis africana was assayed for antimicrobial potency using Agar-well diffusion technique against Salmonella typhi, Klebsiella pneumoniae, Streptococcus pyogenes, Pseudomonas aeruginosa, Methicillin-Resistant Staphylococcus aureus (MRSA) and Candida albicans. Qualitative phytochemical screening was also carried out. Results: The results of the antimicrobial screening showed antimicrobial potency against the test isolates with various degrees of zone of inhibition which varied between 10 mm – 22 mm. The highest zone was reported against Klebsiella pneumoniae (22 mm), followed by Streptococcus pyogenes and Candida albicans (21 mm), Salmonella typhi (20 mm), MRSA (19 mm) and then Pseudomonas aeruginosa (18 mm). Chloramphenicol and Fluconazole are used as reference standard and their zones of inhibitions ranged from 26 mm – 29 mm. The Minimum Inhibitory Concentration (MIC) of the extract ranged between 12.50 mg/mL – 50.00 mg/mL whilst the Minimum Bactericidal Concentration (MBC) and Minimum Fungicidal Concentration (MFC) of the extract were at 50.00 mg/mL. The result of phytochemical screening revealed the presence of carbohydrates, flavonoids, phenols/tannins, saponins, terpenes, steroids, cardiac glycosides and alkaloids as secondary metabolites. Conclusion: The findings clearly showed that methanolic leaf extract of P. africana has proved its use in folklore as an alternative antimicrobial agent and further research can lead to isolation of a new lead of medical importance.
Heterogeneous Synergistic Catalysis for Promoting Aza-Michael–Henry Tandem Reaction for the Synthesis of Chiral 3-Nitro-1,2-Dihydroquinoline

Heterogeneous synergistic catalysis by SBA-15 immobilized chiral amines catalysts has promoted efficient aza-Michael–Henry tandem reaction for the synthesis of chiral 3-Nitro-1,2-Dihydroquinoline. Final products in the asymmetric aza-Michael–Henry cascade reactions between 2-aminobenzaldehyde and β-nitrostyrolene were afforded in a yield of 85% and an enantiomeric excess (ee) value of 98% on (S)-(–)-2-aminomethyl-1-ethylpyrrolidine immobilized SBA-15. SBA-15-AEP catalyst has been also extended to the asymmetric aza-Michael–Henry cascade reaction of substituted R1-2-aminobenzaldehyde and R2-substituted nitroolefin. The heterogeneous synergistic mechanism for both tertiary amine and secondary amine immobilized mesoporous has been proposed in detail including the geometrical constraints in the ee promotion.
Theoretical Study on Molecular Structure and Electronic Properties of New 1,3-Diaza-adamantan-6-ones Derivatives

In this study, the structural geometry and vibrational frequencies (IR) of 1,3-Diaza-adamantane-6-ones derivatives including Adamantane ( A ), 1,3-Diaza-adamantan ( D ), 1,3-Diaza-adamantan-6-one ( DO ), 5-Benzyl-1,3-diaza-adamantan-6-one ( BD ), 5-(4-Hydroxybenzyl)-1,3-diaza-adamantan-6-one ( HBD ), 5-(4-Methoxybenzyl)-1,3-diaza-adamantan-6-one ( MBD ), and 5-(4-Hydroxy-3-methoxybenzyl)-1,3-diaza-adamantan-6-one ( HMBD ) were theoretically studied. In addition, molecular orbital energies, including the highest occupied molecular orbitals (HOMOs), and lowest unoccupied molecular orbitals (LUMOs), and electronic properties of the titled molecules were theoretically studied using the computational method. Optimized molecular structures were obtained by DFT method with the hybrid B3LYP functional at a relatively small basis set of 6-31G. The calculated vibrational wavenumbers were obtained using the same level of the theory mentioned above. The contributions to the molecular orbitals of adamantane and substituted-phenyl groups in the title compounds were determined. Moving from A to HMBD , a decrease in the value of LUMO and total energy are noticed, while an increase in the value of HOMO is noted. These findings are supported by the decreasing in the E HOMO-LUMO gap values. Furthermore, a decrease in the value of ionization potential (IP) is obtained, while an increase in the electronegativity (EA) is observed.
Application of Phytochemical and Elemental Profiling, Chemometric Multivariate Analyses, and Biological Activities for Characterization and Discrimination of Fruits of Four Garcinia Species

Abstract Species of Garcinia (Guttiferae) are used for flavoring curries, as a supplement, and to treat various diseases. This study describes the comparison and discrimination of Garcinia cambogia, Garcinia indica, Garcinia mangostana and Garcinia atroviridis fruits by analyzing their major phytochemicals, elemental content, antioxidant, antidiabetic, and anticholinesterase enzymes activities. For phytochemical and elemental profiling, ultraviolet (UV), near infrared/infrared (NIR/IR), inductively coupled plasma-optical emission spectroscopy (ICP-OES) and ICP-mass spectrometric (ICP-MS) techniques were used. The chemometric multivariate tests of linear discriminant and principal component analyses (LDA, PCA) were used to discriminate the subject fruit samples. Spectroscopic data showed resonances of phenolics and flavonoidal constituents present in the fruits. G. mangostana exhibited the highest phenolics (721.6 to 2815.3 µM GAE/g), whereas G. cambogia was rich in flavonoids (51.9 to 2709.2 µM QE/g). Anthocyanin (cyanidin-3-O-glucoside) evaluated by high performance liquid chromatographic was 9.01 mg/kg in G. mangostana fruit. In the analyzed fruits, Ca, K and Na were high, trace essential elements were at appreciable contents, whereas the toxic elements As, Cd, Tl, and Pb were within the safe limits. G. mangostana contained potent free radicals and cholinesterase enzyme inhibitors, whereas G. cambogia inhibited α-amylase enzyme more significantly. PCA and LDA discriminated the fruit samples with distinct classification and variability indices. The analyzed fruits were shown to be good sources of free radicals, cholinesterase, and α-amylase enzymes inhibition, mineral and essential elements, and safe for human consumption.
Ultrafast Terahertz Frequency and Phase Tuning by All‐Optical Molecularization of Metasurfaces

The integration of photoactive semiconductors exhibiting strong light–matter interactions into functional unit meta‐atoms facilitates effective approaches to dynamically manipulate terahertz (THz) waves. Here, a new metaphotonic modulator is proposed and comprehensively studied, which demonstrates extensive tunability of the resonant frequency and phase with the merit of ultrafast photoswitching. Specifically, parallel silicon (Si) bridges are embedded in metasurfaces to reinforce the connection ability, achieving ultrafast optical molecularization from a magnetic quadrupole into an electric dipole. Under femtosecond pulse excitation, the demonstrated resonant frequency tuning range is as high as 40% (from 1.16 to 0.7 THz) and can be further promoted up to 48% (from 1.56 to 0.81 THz) by varying the Si bridge length. Meanwhile, the phase delay at given frequencies can be controlled up to 53.3° without significantly changing the high transmission. Furthermore, the transient frequency switching and phase shifting dynamics are systematically investigated for the first time, showing a full recovery time within 2 ns. By optically molecularizing metasurfaces, extended tuning ranges with regard to the resonant frequency and phase, as well as an ultrafast switching speed, are simultaneously acquired in the proposed metamodulator, which provides deeper insight into the multifunctional active‐tuning systems.
Comparison of the cloud top heights retrieved from MODIS and AHI satellite data with ground-based Ka-band radar

Abstract. To better understand the accuracy of cloud top heights (CTHs) derived from passive satellite data, ground-based Ka-band radar measurements from 2016 and 2017 in Beijing are compared with CTH data inferred from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the Advanced Himawari Imager (AHI). Relative to the radar CTHs, the MODIS CTHs are found to be underestimated by−1.10 ± 2.53 km on average and 49 % of CTH differences are within 1.0 km. The AHI CTHs are underestimated by −1.10 ± 2.27 km and 42 % are within 1.0 km. Both the MODIS and AHI CTH retrieval accuracy depends strongly on the cloud depth (CD). Large differences are mainly due to the retrieval of thin clouds of CD <1 km, especially when the cloud base height is higher than 4 km. For clouds with CD >1 km, the mean CTH difference decreases to -0.48±1.70 km for MODIS and to -0.76±1.63 km for AHI. It is found that MODIS CTHs with higher values (i.e. >6 km) show smaller discrepancy with radar CTH than those MODIS CTHs with lower values (i.e. <4 km). Statistical analysis illustrate that the CTH difference between the two satellite instruments is lower than the difference between the satellite instrument and the ground-based Ka-band radar. The monthly accuracy of both CTH retrieval algorithms is investigated and it is found that summer has the smallest retrieval difference.
Comparative 1D optoelectrical simulation of the perovskite solar cell

The metal-halide perovskite solar cell has risen to the vanguard of photovoltaic research and offers the potential to merge low-cost fabrication with high-power conversion efficiency. Certainly, simulation along with experimental studies will contribute to a better understanding of the operation mechanism of PSC and the need to further improve device performance. In this study, the combinations of the optical transfer matrix method and electrical method based on the solar cell capacitance simulator (SCAPS) were used for 1D optoelectrical modeling of the planar PSC. In order to investigate the capability of this simple model, most of the related options such as absorption coefficient, optical reflection, defects, and interface trap were set. The comparison of the optoelectrical simulated EQE and JV curve of the CH3NH3PbI3 planar solar cell with the experimental ones showed that compared to the most only-electrical 1D modeling, the results are more similar to the experimental ones. However, this 1D model is not fully capable of much matching between the simulation and experimental results. By comparing the experimental and simulated results, the comparable VOC and JSC, as well as a difference in FF and PCE, are observed. In addition to the dark saturation current and ideality factor, the resistance losses and ionic emigration, which are not presented in this optoelectrical model, were introduced as the main factors for describing the differences in the values of the compared parameters.
Age‐related differences in lean mass, protein synthesis and skeletal muscle markers of proteolysis after bed rest and exercise rehabilitation

Five days of bed rest resulted in a reduction in leg lean mass and strength in older adults. After bed rest, older (but not younger) adults had reduced amino acid‐induced anabolic sensitivity (blunted muscle protein synthesis; MPS) and enhanced markers associated with the ubiquitin proteasome and autophagy–lysosomal systems (increase in molecular markers related to muscle proteolysis). Younger adults did not lose leg lean mass (via DXA) after 5 days of bed rest despite blunted amino acid‐induced mTORC1 signalling and increased skeletal muscle REDD1, REDD2 and MURF1 mRNA expression. Exercise rehabilitation restored bed rest‐induced deficits in lean mass, strength, nutrient‐induced protein anabolism (protein synthesis and mTORC1 signalling) and select muscle proteolytic markers in older adults.
Role of Kaempferol on gemcitabine lipid interaction in goat liver model

In cancer chemotherapy, drugs are used to kill the cancerous cell with little damage to normal cell. But most of the cytotoxic drugs affect the rapidly dividing normal tissue, and produce to a greater or lesser extent toxic side effects such as bone marrow toxicity, impaired wound healing, loss of hair, damage to gastrointestinal epithelium, depression of growth in children, sterility, teratogenicity, kidney damage, reversible liver abnormalities etc (Rang et al., 1999). Gemcitabine is a pyrimidine nucleoside prodrug. Mainly it is used in breast cancer, ovarian cancer, non-small cell lung cancer, pancreatic cancer and bladder cancer. However along with its desired effect it produces several side effects such as pale skin, diarrhea, headache, skin rash etc to mention a few (Zhang et al., 2017). Lipid peroxidation is oxidative deterioration of poly unsaturated fatty acid and producing some toxic end products like malondialdehyde (MDA), 4-hydroxy-2-nonenal (4-HNE) etc (Esterbaueret al., 1998). Measurement of these end products may act as marker of lipid peroxidation.Gemcitabine showed improved efficacy when used along with alpha tocopherol (Abu-Fayyad et al., 2017). In view of the above findings and ongoing search of antioxidants by the author (Dey Ray, 2018, Dey Ray 2018), the present work has been carried out in vitro toevaluate the antiperoxidative potential of kaempferolon gemcitabine-induced lipid peroxidation by measuring 4hydroxy-2nonenal (4-HNE) and reduced glutathione (GSH) content.
Survey and Proposal of an Adaptive Anomaly Detection Algorithm for Periodic Data Streams

Real-time anomaly detection of massive data streams is an important research topic nowadays due to the fact that a lot of data is generated in continuous temporal processes. There is a broad research area, covering mathematical, statistical, information theory methodologies for anomaly detection. It addresses various problems in a lot of domains such as health, education, finance, government, etc. In this paper, we analyze the state-of-the-art of data streams anomaly detection techniques and algorithms for anomaly detection in data streams (time series data). Critically surveying the techniques’ performances under the challenge of real-time anomaly detection of massive high-velocity streams, we conclude that the modeling of the normal behavior of the stream is a suitable approach. We evaluate Holt-Winters (HW), Taylor’s Double Holt-Winters (TDHW), Hierarchical temporal memory (HTM), Moving Average (MA), Autoregressive integrated moving average (ARIMA) forecasting models, etc. Holt-Winters (HW) and Taylor’s Double Holt-Winters (TDHW) forecasting models are used to predict the normal behavior of the periodic streams, and to detect anomalies when the deviations of observed and predicted values exceeded some predefined measures. In this work, we propose an enhancement of this approach and give a short description about the algorithms and then they are categorized by type of pre-diction as: predictive and non-predictive algorithms. We implement the Genetic Algorithm (GA) to periodically optimize HW and TDHW smoothing parameters in addition to the two sliding windows parameters that improve Hyndman’s MASE measure of deviation, and value of the threshold parameter that defines no anomaly confidence interval [1]. We also propose a new optimization function based on the input training datasets with the annotated anomaly intervals, in order to detect the right anomalies and minimize the number of false ones. The proposed method is evaluated on the known anomaly detection benchmarks NUMENTA and Yahoo datasets with annotated anomalies and real log data generated by the National education information system (NEIS)1 in Macedonia.
XI Cochrane Colloquium: Evidence Health Care and Culture

The XIth Cochrane Colloquium was held in the historic and beautiful Mediterranean city of Barcelona in October 2003. The extensive program attracted over 1000 participants each linked by the bond of a desire to increase the evidence base and the use of evidence in the effectiveness of interventions in health care. The program provided a stimulating opportunity for sharing, learning and expanding the international evolution of evidence-based health care.