Miracle-dz/UniFAR-FTUs huggingface dataset:
Three‐Dimensional Bulk Heterojunction Morphology for Achieving High Internal Quantum Efficiency in Polymer Solar Cells

Here, an investigation of three‐dimensional (3D) morphologies for bulk heterojunction (BHJ) films based on regioregular poly(3‐hexylthiophene) (P3HT) and [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM) is reported. Based on the results, it is demonstrated that optimized post‐treatment, such as solvent annealing, forces the PCBM molecules to migrate or diffuse toward the top surface of the BHJ composite films, which induces a new vertical component distribution favorable for enhancing the internal quantum efficiency (ηIQE ) of the devices. To investigate the 3D BHJ morphology, novel time‐of‐flight secondary‐ion mass spectroscopy studies are employed along with conventional methods, such as UV‐vis absorption, X‐ray diffraction, and high‐resolution transmission electron microscopy studies. The ηIQE of the devices are also compared after solvent annealing for different times, which clearly shows the effect of the vertical component distribution on the performance of BHJ polymer solar cells. In addition, the fabrication of high‐performance P3HT:PCBM solar cells using the optimized solvent‐annealing method is reported, and these cells show a mean power‐conversion efficiency of 4.12% under AM 1.5G illumination conditions at an intensity of 100 mW cm−2.
Particle Analysis by Laser Mass Spectrometry WB-57F Instrument Overview

Recently, a second version of the Particle Analysis by Laser Mass Spectroscopy (PALMS) instrument was constructed to fly in the nose of a WB-57F research aircraft, allowing it to make in-situ measurements of stratospheric aerosols. We present here the technical aspects of the design and construction of the PALMS aircraft instrument. These include the development of a robust and complex data acquisition and control software program, a stable optical system with in-flight correction, the mechanical packaging required for in-flight operation, a shrouded inlet designed for optimal particle sampling, and custom and commer cial electronics. We also present a brief review of the performance of the PALMS instrument during its first deployment in the WB-57F.
Application of effective wavelengths and BP neural network for the discrimination of varieties of instant milk tea powders using visible and near infrared spectroscopy

In order to implement the fast discrimination of different milk tea powders with different internal qualities, visible and near infrared (Vis/NIR) spectroscopy combined with effective wavelengths (EWs) and BP neural network (BPNN) was investigated as a new approach. Five brands of milk teas were obtained and 225 samples were selected randomly for the calibration set, while 75 samples for the validation set. The EWs were selected according to x-loading weights and regression coefficients by PLS analysis after some preprocessing. A total of 18 EWs (400, 401, 452, 453, 502, 503, 534, 535, 594, 595, 635, 636, 688, 689, 987, 988, 995 and 996 nm) were selected as the inputs of BPNN model. The performance was validated by the calibration and validation sets. The threshold error of prediction was set as ±0.1 and an excellent precision and recognition ratio of 100% for calibration set and 98.7% for validation set were achieved. The prediction results indicated that the EWs reflected the main characteristics of milk tea of different brands based on Vis/NIR spectroscopy and BPNN model, and the EWs would be useful for the development of portable instrument to discriminate the variety and detect the adulteration of instant milk tea powders.
Robust kernel-based feature representation for 3D point cloud analysis via circular convolutional network

Feature descriptors of point clouds are used in several applications, such as registration and part segmentation of 3D point clouds. Learning discriminative representations of local geometric features is unquestionably the most important task for accurate point cloud analyses. However, it is challenging to develop rotation or scale-invariant descriptors. Most previous studies have either ignored rotations or empirically studied optimal scale parameters, which hinders the applicability of the methods for real-world datasets. In this paper, we present a new local feature description method that is robust to rotation, density, and scale variations. Moreover, to improve representations of the local descriptors, we propose a global aggregation method. First, we place kernels aligned around each point in the normal direction. To avoid the sign problem of the normal vector, we use a symmetric kernel point distribution in the tangential plane. From each kernel point, we first projected the points from the spatial space to the feature space, which is robust to multiple scales and rotation, based on angles and distances. Subsequently, we perform graph convolutions by considering local kernel point structures and long-range global context, obtained by a global aggregation method. We experimented with our proposed descriptors on benchmark datasets (i.e., ModelNet40 and ShapeNetPart) to evaluate the performance of registration, classification, and part segmentation on 3D point clouds. Our method showed superior performances when compared to the state-of-the-art methods by reducing 70$\%$ of the rotation and translation errors in the registration task. Our method also showed comparable performance in the classification and part-segmentation tasks with simple and low-dimensional architectures.
Derivation of thermodynamic functions of ionisation from acidic dissociation constants. The sigma plot method vis-à-vis polynomial regression procedures

For ΔG°(T) data at equally spaced T, classical difference tables are invaluable for assessing the quality of the measurements and in setting limits to their exploitation by currently used statistical methods. A return to the principles of the Everett and Wynne-Jones calculation is advocate; first differences are used to proceed directly to a best estimate of an average ΔC°P. This allows the original data to be treated by the Σ-plot method, based on a chosen definition of ideal acidic dissociation behaviour, which gives idealised values of the required thermodynamic functions. If experimental accuracy permits, systematically distributed residuals from the Σ-plot will be available to study deviations from the defined ideal behaviour and to secure closer approximations to the themodynamic functions, including dΔG°P/dT.In so far as the interpolations used are rectilinear, the method minimises distortions due to the “smoothing-in” of incoherent errors, and is preferred to methods based on initial curvilinear data-fitting, the hazards of which are demonstrated in detail. Comparisons with, and correction of, some previously published data require the use throughout of cal units (1 cal = 4.184 J).
Effects of Burner Configuration on the Characteristics of Biogas Flameless Combustion

The purpose of this experimental and numerical investigation is to analyze the effects of burner configuration on the characteristics of biogas flameless combustion. In the four non-premixed studied burners, the inlet jet of the fuel is located at the center of the burner, surrounded by four oxidizer parallel jets in the coaxial burners and four perpendicular jets in the tangential configuration. In the three-dimensional (3D) computational fluid dynamic (CFD) study, a two-step reaction scheme, eddy dissipation concept (EDC), eddy dissipation method (EDM), and the realizable k- ϵ formulation were set for all simulations. The results illustrate that the volume of the flame is wider in a tangential burner and, hence, the temperature uniformity in the tangential flameless burner is more than coaxial configurations. The inside temperature of the furnace and the combustor’s wall temperature are higher in the tangential burner; consequently, higher heat loss from walls was recorded in tangential mode. Despite the higher energy loss from walls in the tangential burner, the efficiency of biogas flameless combustion in the tangential is more than the coaxial burners (66% and 64%, respectively). The concentration of CH4 in the exhaust gases was recorded at 48 ppm and 60 ppm in the tangential and coaxial burners, respectively, which confirms that the combustion of biogas is more complete in the tangential flameless burner. The lower concentration of oxygen in the tangential burner conducts the combustion system to generate higher carbon monoxide (CO) based on the two-step combustion concept.
The temperature of a shock-collapsed cavity

The temperature of the gas enclosed in a cavity collapsing as the result of the passage of a shock wave has importance in considering the safety of reactive materials. This paper assesses the ability of this collapse to ignite an explosive medium in which the cavity is placed. Both jet‐impact and hot‐gas‐ignition mechanisms are considered. A series of experiments have been conducted in which a cylindrical cavity has been collapsed under shock. This geometry has the advantage of allowing details of the gas in the bubble interior to be studied. A further series of experiments is underway to ally this disc‐shaped geometry with a spherical cavity using two novel arrangements. The development of these tests has addressed the temperature increase within the cavity. For jet‐impact studies, nitromethane is used as the liquid to observe ignition directly. The series of experiments has been coupled with numerical modelling of the multi‐material shock interactions to indicate the mechanisms by which ignition and reaction occur.
Molecular weight distributions of acetylated lignocellulosic biomasses recovered from an ionic liquid system

Abstract Recently, a method was presented for the dissolution and nuclear magnetic resonance analysis of cell wall components in lignocellulosic biomass, which involves cell wall ball-milling, dissolution in ionic liquids (ILs), in situ acetylation, and the recovery of acetylated materials. However, the dissolution in ILs and the relatively long ball-milling times may partially degrade the plant cell wall components. In the present study, the molecular weight (MW) distributions of acetylated biomasses from fir (Abies sachalinensis), birch (Betula platyphylla), and bamboo (Phyllostachys nigra) recovered from IL systems were examined by size exclusion chromatography. The effects of IL types, cosolvents, dissolution temperatures and times, and ball-milling times were evaluated. The MW of acetylated fir woods recovered from 1-allyl-3-methylimidazolium chloride at 30–80°C or from 1-butyl-3-methylimidazolium chloride at 100°C for 2 h were similar to those materials that were recovered from the N-methylimidazole/dimethyl sulfoxide system. In contrast, a significant decrease in MW was observed with 1-ethyl-3-methylimidazolium acetate ([Emim]OAc) even at 30°C. The degradation of cell wall components in [Emim]OAc was reduced to some extent in the presence of N,N-dimethylacetamide or pyridine. The MW decreased gradually with increased ball-milling time.
Boehmite Derived γ-Alumina System. 1. Structural Evolution with Temperature, with the Identification and Structural Determination of a New Transition Phase, γ‘-Alumina

Variations in the structure of gamma-alumina (γ-Al2O3), derived from well-crystalline boehmite, calcined at various temperatures in air were investigated. Consistent distribution of cation coordination, ∼69% octahedral and ∼31% tetrahedral, was observed for material calcined between 500 and 900 °C. Gamma alumina was found to be present between 450 and 750 °C. Its structure was tetragonally distorted but showed a reduced tetragonal distortion with increasing temperature. A cubic γ-Al2O3 phase was never detected. Above 750 °C, δ-Al2O3 was not observed, but instead a new phase was identified and designated gamma-prime-alumina (γ‘-Al2O3). Similarly to δ-Al2O3, γ‘-Al2O3 was determined to be a triple cell of γ-Al2O3 and was described using the P4m2 space group. The cation ordering in this structure is more obvious than that for γ-Al2O3, with fewer site positions being occupied with increasing calcination temperature.
WATER STRESS DETECTION BY MONITORING FLUORESCENCE OF PLANTS UNDER AMBIENT LIGHT

Plant fluorescence is inherently weak, and it is difficult to detect and measure under broad–spectrum ambient light. The relative referencing method is a technique developed to acquire a plant’s fluorescence signal in the presence of ambient light. This study evaluated the method’s ability to detect early signs of water stress in freestanding tomato plants as the plants were continuously illuminated by fluorescent lamps. Water stress was initiated by imposing drought conditions, and the subjects were tested daily over a seven–day period. Transpiration, chlorophyll content, and water status data were taken to quantify physiological changes in the plants. The relative referencing method was able to monitor early signs of water stress, but the results differed from those previously reported. The percent overshoot parameter correlated well with the early onset of water stress, but the time to peak parameter correlated poorly. The main difference between this and the previous study was that freestanding plants were tested, which affected the amount of incident light on the leaves during testing. In addition, younger plants were used, which had an effect on the fluorescence response. In spite of these differences, the results showed that the relative referencing method was able to detect early signs of water stress in free–standing tomato plants.
Potassium Homeostasis During Exercise In Domestic Species: the role of the sodium- potassium pump in skeletal muscle

In 1997, Jens Christian Skou was awarded the Nobel prize in Chemistry for his discovery and elegant description, some 40 years earlier, of the sodium-potassium (Na+,K+) pump in crab nerve fibres [37]. It is now widely accepted that this cation transport system is essential for cell function, and that it plays a central role in the Na+,K+ homeostasis of virtually all animals [4],[6]. Since its identification, the Na+,K+ pump has been the subject of numerous investigations, including ones on the mechanism for controlling ion transport through the pump, the detailed molecular structure of the pump and its regulation. Regulation of plasma K+, both long-term (by kidney Na+,K+-ATPase), and acute (by skeletal muscle Na+,K+-ATPase, during exercise), have been questions frequently addressed by physiologists. Most of this work has been performed using small odents and man [4,5,6], however, the following review will discuss the up- and down regulation of the Na+,K+ pump concentration in the skeletal muscle of domestic animal species, including cats, dogs, horses and cattle.
Facile synthesis of anatase TiO2 mesocrystal sheets with dominant {001} facets based on topochemical conversion

Uniform anatase TiO2 mesocrystal sheets with dominant {001} facets were synthesized via a self-assembly and self-etching surfactant-free solvothermal process. The formation of well-faceted square sheets can be ascribed to the highly oriented assemblies of building blocks, while the etching agent HF also plays an important role in the tailored synthesis. During the topochemical conversion from NH4TiOF3 to TiO2, a shrinkage void was generated, and the reason proposed is based on the crystal structural differences. Calcination leads to a more observable porous structure but the original shape is well retained. Smaller sheets can be simply obtained by substituting ethanol with 2-propanol which behaves as a synergistic capping agent.
Chelation Properties of Some Mannich‐Type Polymers Toward Lanthanum(III), Neodymium(III), Samarium(III), and Gadolinium(III)

Abstract The chelation behavior of the Mannich‐type polymers, poly[8‐hydroxyquinoline‐5,7‐(piperazine‐N,N′‐diyl‐bismethylene)], polymer I, and poly[8‐hydroxyquinoline‐5,7‐(N,N′‐dimethylethylenediamine‐N,N′‐diyl‐bismethylene)], polymer II, toward the trivalent lanthanide metal ions, La(III), Nd(III), Sm(III), and Gd(III) was studied by a static batch equilibration technique as a function of contact time, pH, and counter ion. The highest metal‐ion uptake of these polymers was achieved at pH≥7.0 and by using perchlorate as the counter ion.
Dimere Naphthochinone, VI Synthese von 3,3′‐Biplumbagin und verwandten 3,3′‐Dimethyl‐2,2′‐bi‐1,4‐naphthochinonen durch C‐Methylierung mit Diazomethan

3,3′-Dimethyl-2,2′-bi-1,4-naphthochinonen vom Typ 6/7 sind auf dem Wege der Phenol/Chinon-Addition oder durch Phenol-Oxidation von 3-Methyl-1-naphtholen nicht oder nur mit unbefriedigenden Ausbeuten zuganglich. Entsprechende Dimere, von denen einige in der Natur vorkommen, entstehen jedoch leicht durch Addition von Diazomethan an 3,3′-unsubstituierte 2,2′-Binaphthochinone 4/5 und Thermolyse der primar entstehenden 9a,9a'-Bi(3a,9a-dihydro-3H-benz[f]indazol-4,9-chinone) 16. Die Synthesen und Eigenschaften der Dimeren 6/7a-e werden beschrieben. Dimeric Naphthochinones, VI Synthesis of 3,3′-Biplumbagin and Related 3,3′-Dimethyl-2,2′-bi-1,4-naphthochinones by C-Methylation with Diazomethane 3,3′-Dimethyl-2,2′-bi-1,4-naphthoquinones of type 6/7 are accessible by phenol oxidation of 3-methyl-1-naphthols or by phenol/quinone addition, but with unsatisfactory yields. However, corresponding dimers _ some are natural products _ are formed easily by addition of diazomethane to 2,2′-binaphthoquinones 4/5 which are unsubstituted in the positions 3 and 3′ and by thermolysis of the initially formed 9a,9a'-bi(3a,9a-dihydro-3H-benz[f]indazole-4,9-quinone) 16. Syntheses and properties of the dimers 6/7a-e are described
Ecofriendly Solventless Synthesis and Reduction Reaction of Some Triazole Compounds and Evaluation of Their Antimicrobial Activity

Abstract A number of triazole-3-one compounds have been synthesized, and reduction of the carbonyl group in the molecule has been carried out to give a corresponding hydroxyl group that possesses asymmetric carbon atom in good yields and short reaction times. It is ecofriendly because it is produced by straightforward microwave irradiation in the absence of solvent. All newly synthesized compounds were also screened for their antimicrobial activities. The antimicrobial activity study revealed that 2d, 2i, 3c, and 3g–j showed good activity against a variety of microorganisms. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications® to view the free supplemental file. GRAPHICAL ABSTRACT
β‐Adrenergic stimulation modulates Ca2+‐ and voltage‐dependent inactivation of L‐type Ca2+ channel currents in guinea‐pig ventricular myocytes

The objective of this study was to examine the effect of β‐adrenergic stimulation upon voltage‐ and Ca2+‐induced inactivation of native cardiac L‐type Ca2+ channels. Whole‐cell currents were recorded from guinea‐pig isolated ventricular myocytes. Total and voltage‐dependent inactivation was separated by replacing extracellular Ca2+ with Mg2+. L‐type Ca2+ channel behaviour was monitored with outward Ca2+ channel currents. First, the voltage dependence of inactivation was studied at fixed times (50 and 1000 ms) after activation. This showed that under control conditions Ca2+ contributed little to inactivation. In isoproterenol (isoprenaline), voltage‐dependent inactivation was markedly reduced and Ca2+ contributed largely to total inactivation. Second, the time dependence of inactivation was studied at a fixed voltage (+10 mV). In control conditions the fast phase of inactivation (τf≈15 ms) was reduced to the same extent by ryanodine (τf≈30 ms) and the absence of Ca2+ (τf≈30 ms) while the slow phase of inactivation (τs≈70 ms) was reduced by ryanodine (τs≈160 ms) and further reduced in the absence of Ca2+ (τs≈300 ms). In isoproterenol, biphasic inactivation of Ca2+ currents (τf≈4 ms, τs≈60 ms) was replaced by a single slow (τ≈450 ms) phase of inactivation in the absence of Ca2+. It is concluded that, under control conditions Ca2+ channel current decay is largely dominated by rapid voltage‐dependent inactivation, while in isoproterenol this is replaced by Ca2+‐induced inactivation.
Clean and Flexible Modification Strategy for Carboxyl/Aldehyde‐Functionalized Upconversion Nanoparticles and Their Optical Applications

Rare‐earth upconversion nanoparticles (UCNPs) exhibit great potential in luminescent biolabels and other multifunctional probes; however, their applications are limited by their low water solubility and the lack of binding groups. To address these problems, a clean and flexible strategy to modify hydrophobic monodisperse UCNPs into hydrophilic ones that are capped with functional groups is developed. The modification process is implemented by direct oxidation of oleic acid ligands with ozone under specific conditions, where the oleic acid (OA) ligands on the surface of the UCNPs can be converted into azelaic acid ligands (HOOC(CH2)7COOH) or azelaic aldehyde HOOC(CH2)7CHO, as is revealed by Fourier‐transform infrared (FTIR) and nuclear magnetic resonance (NMR) measurements. This oxidation process has no significant side‐effects on the morphology, phase, composition, or luminescent properties of the UCNPs. Free carboxylic acid groups on the surface endow the UCNPs with good water solubility, while aldehyde groups at the surface provide binding sites for amino‐containing molecules via Schiff‐base condensation, such as 2‐(4‐aminophenylethylyl)‐5‐methoxy‐2‐(2‐pyridyl)thiazole (MPTEA) and 2‐aminoethanethiol hydrochloride (NH2CH2CH2SH·HCl, HEMA). A Ce4+ sensor is constructed based on the dual‐emission arising from the different spectral responses of MPTEA and the UCNPs. Facilitated by the covalent linkage between the terminal aldehyde group on the UCNPs and the amino group in HEMA, a hybrid structure of UCNPs and Au NPs is fabricated. The effective coupling between the aldehyde group and the amino group suggests that these functionalized UCNPs have potential in combining other functional units for simultaneous biolabeling, or other optical applications.
HYPERTHERMOPHILIC ANAEROBIC DIGESTION OF FOOD WASTE

The anaerobic digestion (AD) of the organic fraction (OFMSW) of municipal solid waste (MSW) is a sustainable and environmentally interesting solution as compared to landfilling. Anaerobic digestion operated under mesophilic temperatures degrades only a fraction of the complex compounds found in OFMSW, whereas under higher temperatures, such as thermophilic and hyperthermophilic, the degradation could be more extensive. The objective of this study was therefore to evaluate the effect of a thermal transition from 35°C (mesophilic) to 70°C (hyperthermophilic), on an anaerobic inoculum fed OFMSW. The research methodology was divided into the following stages: 1) a mesophilic, industrial wastewater treating granular sludge was upgraded to thermophilic conditions and adapted for the treatment of OFMSW (Chapter Three); 2) during the thermal transition from mesophilic to thermophilic conditions, a microbial phylogenetic characterization (16sDNA PCR followed by DGGE) of the sludge was carried out (Chapter Four); 3) to evaluate substrate (protein and vegetable oil) limiting degradation rates for the production of methane, a serum bottle batch test (MP) was developed (Chapter Five); and 4) the thermophilically adapted and OFMSW treating sludge was upgraded to hyperthermophilic conditions and both reactor performance and sludge methane and substrate activities were evaluated (Chapter Six). The one-step temperature upgrading from 35 to 55 °C and the feeding of OFMSW resulted in a fully adapted inoculum without an initial time-consuming temperature acclimatization stage. The substrate loading rate program was a key factor in increase the population of thermophilic methanogens. Genomic deoxyribonucleic acid (16S rDNA) tools were used to characterize the newly adapted thermophilic biomass. As opposed to