Miracle-dz/UniFAR-FTUs huggingface dataset:
Challenges and Prospects in Solar Water Splitting and CO2 Reduction with Inorganic and Hybrid Nanostructures

The inexorable rise of carbon dioxide level in the atmosphere, already exceeding 400 ppm, highlights the need for reduction of CO2 emissions. Harvesting solar energy to drive reverse chemical reactions to fuel combustion offers a possible solution. The produced chemical fuels (e.g. hydrogen, methane, or methanol) are also a convenient means of energy storage, not available in photovoltaic cells. This Review is focused on the heterogeneous photocatalytic water splitting and on CO2 reduction with nanostructured semiconductors, metals, and their hybrids. The stages of light absorption, charge separation and transfer, and surface reactions are discussed, together with possible energy-loss mechanisms and means of their elimination. Many novel materials have been developed in this active field of research, and this Review describes the concepts underpinning the continued progress in the field. The approaches which hold promise for substantial improvement in terms of efficiency, cost, and environmental sustainab.
Timosaponin Aiii Disrupts Morphological Plasticity and Migration of Breast Adenocarcinoma Through Inhibition of Integrin Internalisation

Cell migration is a critical step in tumour invasion and metastasis. To acquire invasive properties, cancer cells use their surrounding environment through dynamic and bidirectional interactions and change their morphology and mode of migration. Thus, inhibition of morphological plasticity regulated by paracrine interactions may be a promising approach for anti-cancer therapy. In this study, we found that timosaponin AIII (TAIII), a steroidal saponin isolated from the roots of Anemarrhena asphodeloides, disrupted the morphological changes and migratory activity of breast adenocarcinoma cells promoted by paracrine interactions with mammary epithelium-derived cells. TAIII suppressed lamellipodia formation of MDA-MB-231 cells in response to exogenous stimuli from MCF10A cells, thereby inhibiting morphological changes and migration. TAIII also attenuated membrane spreading and induced contraction of HeLa cells, followed by expansion of intercellular gaps. Furthermore, we analysed the intracellular dynamics of TAIII labelled with a fluorescent dye and found that labelled TAIII was internalised in a manner dependent on dynamin. We also found that TAIII blocked internalisation of cell surface proteins including integrin b1. These results provide a novel aspect to understand how TAIII exerts pharmacological activities in suppression of cancer cell migration.
Acta Polytechnica

To enhance the digestion rate of a landfill leachate in the anaerobic packed bed reactor, a natural zeolite and sugarcane bagasse fly ash (BFA) were tested as the immobilization media. In order to scale up this process and systematically optimize the reactor performance, a kinetics model was needed. The suitability of the Contois and Haldane growth kinetic models were tested on the experiment data. It turned out that Contois gave the best fit for both acidogenic and methanogenic steps. A statistical analysis on Contois kinetic parameters using the Pearson correlation coefficient indicated that, in comparison with the BFA, the zeolite, as an immobilization media, showed more positive effects on the performance of the anaerobic digestion of a leachate.
Development of 3D Polymer DFT and Its Application to Molecular Transport through a Surfactant-Covered Interface

We have developed a three-dimensional polymer density functional theory (DFT) and applied it to predict the thermodynamic and structural information of molecular transport through a surfactant-covered interface. The green recursive function method has been employed to consider the chain conformation effect. The reference ideal gas method has been developed, extending it from molecular DFT to polymer DFT, with a universal form to calculate thermodynamic properties such as the grand potential and free energy. We have demonstrated the accuracy of the theory by comparing it to available simulations. Furthermore, we have applied the theory to predict the free energy barrier and density profile of molecular transport through a surfactant-covered interface. The free energy profile provides reasonable predictions of the transition velocity, while the density profile gives insight into the microstructural information of the transport process, which is consistent with the available molecular simulations. © 2017 American Institute of Chemical Engineers AIChE J, 63: 238–249, 2018
In-Place Technology Replacement of a 24x7 Operational Facility: Key Lessons Learned and Success Strategies From the NIF Control System Modernization

The National Ignition Facility (NIF) is the world's largest laser system for Inertial Confinement Fusion (ICF) and High Energy Density (HED) experiments. Design of the NIF control system started in the 1990s, incorporating established hardware and software technologies of that era. The architecture of the control system has stood the test of time, successfully scaling up to a full 192 laser beam configuration in 2009, and then transitioning to 24x7 operations and sustaining 400 shots annually since 2016. The control system has grown with NIF to add new major capabilities, such as cryogenic layering, a petawatt-class laser, 3D neutron imaging and others. In parallel, with scaling up and efficiency optimizations, the software had to adapt to changes dictated by the fast-paced computer industry. Some of our originally chosen technologies have become obsolete and replaced by new programming languages, frameworks and paradigms. In this paper, we discuss how the NIF control system has leveraged the strengths of its distributed, crossplatform architecture to successfully modernize "in-place" computing platforms and programming languages without impacting the demanding experiment schedule.
Biological phosphorylated molecules participate in the biomimetic and biological synthesis of cadmium sulphide quantum dots by promoting H2S release from cellular thiols

Developing methods with a low environmental impact for nanoparticle synthesis remains one of the greatest challenges in nanotechnology. In this context, biomimetic and biological methods have emerged as green chemistry alternatives, and also contribute to our understanding of how nanomaterials interact with cellular molecules. Here, we report a phosphate-dependent biomimetic method to synthesize of cadmium sulphide (CdS) QDs at low temperatures, physiological pH and aerobic conditions, using CdCl2 and thiols (L-cysteine, glutathione or mercaptosuccinic acid). Inorganic phosphate (Pi) and cellular phosphorylated intermediates such as adenosine monophosphate, glucose-6-phosphate, glycerol-2-phosphate and fructose-1,6-biphosphate, can trigger CdS QDs synthesis. The produced QDs are cubic phase nanocrystals with a tunable fluorescence (450–700 nm), small size (4–12 nm), and are composed of thiols and Pi. In CdS synthesis, the importance of the phosphate is related to its capacity to release H2S from thiols, a phenomenon associated with its base-properties. Based on the biomimetic method, we developed a Pi-based procedure to synthesize CdS QDs in Escherichia coli. As in the biomimetic procedure, Pi favors QDs-biosynthesis not only by mediating biological generation of H2S, but also by improving Cd2+ cellular uptake. A role for phosphates in the cellular interaction and green synthesis of metal QDs is discussed.
Ionic liquids as efficient pretreatment solvents for lignocellulosic biomass

Ionic liquid (IL)-assisted pretreatment of lignocellulosic biomass has been extensively studied. Cellulose and hemicelluloses are rich resources of sugars for biofuels. Lignin is a valuable feedstock for aromatic-based platform chemicals. In this study, a series of ionic liquids (ILs) were prepared with one-step synthesis and were investigated for their activity to pretreat lignocelluloses. High yields of lignin (61.0% and 60.4%) were achieved through [Hpy]Cl and [Hmim]Cl pretreatment of poplar. Lignin yields of 51.7% and 50.3% were obtained with a [Hpy]Cl and [Hnmp]Cl pretreatment of bamboo. Improving enzymatic hydrolysis was observed from the regenerated poplar with [Hpy]Cl pretreatment and the regenerated bamboo with [Hmim]Cl pretreatment. The isolated fractions were characterized by FTIR (Fourier transform infrared) spectroscopy. SEM (Scanning electron microscopy) and XRD (X-ray diffractometry) were employed to examine the cellulose-rich materials. A 2D 1H–13C heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectroscopy was employed to analyze lignin fraction. These ionic liquids were particularly effective to extract lignin from lignocelluloses to obtain cellulose-rich materials for biofuels.
A Methodology to assess Species Yields of Compartment Fires by means of an extended Global Equivalence Ratio Concept

Ca. 70 % aller Brandopfer werden durch Inhalation von Brandgasen verursacht, wobei Kohlenmonoxid (CO) den grosten Anteil an der Rauchgastoxizitat besitzt. Die CO – Entstehung in Raumbranden lasst sich in Abhangigkeit der Ventilationsbedingungen (globales Aquivalenzverhaltnis, engl. GER) beschreiben (GER-Konzept). Durch ein Review und die teilweise Neuberechnung von wesentlichen Arbeiten zur CO Ausbeute von Raumbranden wurde die prinzipielle Anwendbarkeit des Konzepts gezeigt. Dabei konnten die empirischen Gleichungen zur Korrelation von CO Ausbeute mit dem GER von Gottuk und Lattimer durch Vergleich mit Ergebnissen aus Experimenten im ISO 9705 Raum im wesentlichen bestatigt werden. Verglichen mit den Ventilationsbedingungen wirkt sich eine reduzierte Sauerstoffkonzentration weniger auf die CO Entstehung aus. Allerdings wurde durch die Neuauswertung von Versuchen gezeigt, dass die Pyrolyse von cellulosehaltigem Brennstoff in der Heisgasschicht auch unter gut ventilierten Bedingungen zu erhohten CO Ausbeuten fuhrt. Das GER-Konzept wurde erweitert, um den Einfluss externer Verbrennung durch herausschlagende Flammen bzw. durch Nachverbrennung unter unter-ventilierten Bedingungen zu erfassen. Zur Einschatzung des zweiten Phanomens wurde ein von Beyler vorgeschlagenes Entzundungskriterium erweitert, indem die Verbrennungseffektivitat im Primarraum bzw. die gesamte Verbrennungseffektivitat berucksichtigt wurde. Numerische Brandsimulationen mit dem Model Fire Dynamics Simulator (FDS4) liefern nur bedingt verwertbare Ergebnisse im Rahmen des GER-Konzepts. Zur Einschatzung einer Nachverbrennung unter unter-ventilierten Bedingungen wurde ein Postprocessing-Verfahren angewandt, bei dem aus FDS4 Ausgabedaten Beylers Entzundungskriterium abgefragt wurde. Neben CO wurden auch andere bedeutende Stickgase und Reizgase betrachtet und die Anwendbarkeit des GER-Konzepts auf diese Leitkomponenten gepruft. Abschliesend wurde eine erweiterte Methodik dargestellt, mit der sich ein CO Quellterm bei Raumbranden abschatzen lasst. Die Methode berucksichtigt das GER, externe Verbrennung, Effekte der Heisgasschichttemperaturen und Brennstoffpyrolyse in der Heisgasschicht.
Highly efficient poly(fluorene phenylene) copolymer as a new class of binder for high‐capacity silicon anode in lithium‐ion batteries

In this research, a novel approach involving the use of a fluorescent and ductile polymer for the high capacity Li‐ion battery application is reported. Poly(fluorene phenylene) copolymer as a conjugated polymer containing with lateral substituents, poly(ethylene glycol) (PEG) units, as a latent building unit for conjugation and electrolyte uptake was prepared and characterized. The synthesis process was carried out via Suzuki coupling reaction with Pd‐based catalyst by using separately obtained PEG functionalized dibromobenzene in combination with dioctylfluorene‐diboronic acid bis(1,3‐propanediol) ester. A flexible and conductive polymer was synthesized and utilized as a binder for high performance Si‐anode. The observed full capacity of cycling of silicon particles, ie, at C/3 with the capacity of 605 mAh/g after 1000th cycle, confirms the good performance without any supplementary conductive additive. The designed and prepared binder polymer with multi‐functionality exhibits better features such as better electronic conductivity, high polarity, good mechanical strength, and adhesion.
Comparison of separation behavior of Ir(IV) and Rh(III) between tin(II) chloride and ascorbic acid as a reducing agent in the extraction with Cyanex 921 and Cyanex 301

ABSTRACT In order to compare the separation of Ir(IV) and Rh(III) between SnCl2 and ascorbic acid as a reducing agent, solvent extraction with Cyanex 921 and Cyanex 301 was investigated in the HCl concentration range from 1 M to 9 M. Addition of both SnCl2 and ascorbic acid led to the selective extraction of rhodium by the two extractants, leaving Ir(III) in the raffinate. Since tin was selectively extracted over Rh(I) in the presence of SnCl2, it is necessary to separate Rh(I) and tin by selective stripping from the organic phase. In the presence of ascorbic acid, the extraction percentage of rhodium by Cyanex 921 was much smaller than that in the presence of SnCl2. UV spectra was analyzed to verify the reduction reaction of both metal ions. FT-IR was analyzed between fresh and loaded organic solution. The reduction of Ir(IV) and Rh(III) in the presence of ascorbic acid was explained. Selective stripping of Rh(I) over tin from the loaded Cyanex 921 was obtained by the mixture of HCl and (NH2)2CS.
A Multiphase Eulerian-Eulerian CFD Simulation of Fluidized Bed Gasification Using Malaysian Low-Rank Coal-Merit Pila

A multiphase Eulerian- eulerian model integrating the kinetic theory of granular particle (KTGF) was used to simulate the gasification of Malaysian low- rank coal (LRC), Merit- Pila inside a bubbling fluidised bed (BFB) gasifier. The model used includes the bubbling phenomenon and gasificationprocess that occurs inside a BFB gasifier. The gasification process simulated includes drying, heterogeneous reactions of char combustion, devolatilization, water- gas shift reaction, Boudourd reactionand gas phase homogenous reactions. The results from this model are compared to the results of Merit-Pila coal gasification, from which experimental data is available. Comparison of the pressure profile shows good agreement with experimental results. The temperature distribution shows that the maximum temperature is around 1100K which also shows good agreement with experimental values which is 1087K. Besides that, three out of six species mass fraction which is N2, H2 and CH4 produced similar values with experimental values. This shows the simulation conducted was capable to predict the gasification process of Low- rank coal, namely Merit-Pila.
Highly-dispersive spin gapless semiconductors in rare-earth-element contained quaternary Heusler compounds

The acquisition of high mobility electrons in the zero-gap band of spin gapless semiconductors is crucial for their practical applications in spintronic devices. In this work, we propose to design a higher dispersive band by importing the rare-earth atom into the Heusler compounds. With first principles calculations, we identify several new spin gapless semiconductor candidates in the 21-electron LiMgPdSn-type quaternary Heusler alloys of (Y, La, Lu)CoCr/FeMn(Al, Ga). Densities of states for most of them reveal large band gaps in the minority spin direction, and relatively low states near the Fermi level in the majority spin. According to the electron projected band analysis, we find the import of the rare earth atom can enhance the sp component in the band across the Fermi level, which is conducive to form a linear-dispersive band that is promising to enhance the carrier mobility of spin gapless semiconductors.
Thermal analysis of a plastic helical coil heat exchanger for a domestic water storage tank

In the present study, the heat transfer coefficients of helically coiled corrugated plastic tube heat exchanger inside of the solar boiler vessel were investigated experimentally. The metal coil of the conventional solar boiler for domestic usage was replaced by a plastic tube and the results were compared with the numerical simulation and the technical documentation of the initial solar boiler. All the required parameters like inlet and outlet temperatures of tubeside and stratified temperatures, flow rate of fluids, etc. were measured using appropriate instruments. The test runs were performed for different temperatures inside the tank ranging from 30-60°C and different flow rates from which the heat transfer coefficients were calculated.
Farm animal welfare: A key component of the sustainability of farming systems

Consumers of food and other products now demand sustainability of production methods and, for most people, the welfare of production animals is an important component of sustainability. Products are not considered to be of good quality unless the welfare of the production animals is good. This is part of a more general change in knowledge that there are few differences between humans and other animal species, with the conclusion that each individual life should be valued and that causing poor welfare to a farmed animal is morally wrong. All vertebrate animals and some invertebrates are now shown to be sentient, that is they have the capacity to have feelings. There have been major advances in animal welfare science so that housing and management systems that result in poor welfare of the animals are now identified and every producer needs to change their systems and methods to ensure good welfare and avoid all of the worst welfare problems.
Deep levels in metamorphic InAs/InGaAs quantum dot structures with different composition of the embedding layers

Deep levels in metamorphic InAs/InxGa1−xAs quantum dot (QD) structures are studied with deep level thermally stimulated conductivity (TSC), photoconductivity (PC) and photoluminescence (PL) spectroscopy and compared with data from pseudomorphic InGaAs/GaAs QDs investigated previously by the same techniques. We have found that for a low content of indium (x = 0.15) the trap density in the plane of self-assembled QDs is comparable or less than the one for InGaAs/GaAs QDs. However, the trap density increases with x, resulting in a rise of the defect photoresponse in PC and TSC spectra as well as a reduction of the QD PL intensity. The activation energies of the deep levels and some traps correspond to known defect complexes EL2, EL6, EL7, EL9, and EL10 inherent in GaAs, and three traps are attributed to the extended defects, located in InGaAs embedding layers. The rest of them have been found as concentrated mainly close to QDs, as their density in the deeper InGaAs buffers is much lower. This an important result for the development of light-emitting and light-sensitive devices based on metamorphic InAs QDs, as it is a strong indication that the defect density is not higher than in pseudomorphic InAs QDs.
Annotations and consistency detection for Chinese dual-mode emotional speech database

To solve problem of lacking emotional speech database with rich emotion annotation information,a Chinese dual-mode emotional speech database which contained speech and Electroglottography( EGG)information was established. Annotation and consistency detection for the established database were conducted. Firstly,we designed detailed annotation rules and methods according to characteristics of emotional speech database and selected 5 annotators labeling emotional speech database in accordance with the rules.Secondly,in order to ensure annotation quality of emotional speech database and test the integrity of annotation rules,annotators labeled parts of utterances as a test before the official annotation,the test material comprises280 sentences( seven emotions × two actors × twenty sentences). Finally,according to the speech annotation rules,we designed corresponding consistency detection algorithm. The results show that within the time error range of 5 ms,the annotation consistency for the same utterances which labeled by 5 annotators reaches more than 60% on average. When the time error range increased to 8 ms and 10 ms,consistency can be increased by 5% and 8% on average. The experiment indicates that 5 annotators are more consistent in understanding speech. The annotation rules we designed are more complete. The quality of emotional speech database is higher.
Effects of column fractions on the leaves extract of Bridelia ferruginea on bacteria

Bridelia ferruginea is extensively used in Nigeria traditional and folk medicines to cure various human ailments. The preliminary phytochemical screening of the plant parts revealed the presence of tannins, saponins, flavonoids and alkaloids. The in vitro antibacterial studies were carried out on both crude extracts and fractions obtained after column chromatography against medically important bacterial strains including; Escherichia coli, Staphylococcus aureus, Micrococcus species and Pseudomonas aeruginosa for different concentrations of 30mg/ml, 60mg/ml, 90mg/ml, and 120mg/ml. The results of antibacterial assay revealed that both crude extracts and fractions showed good inhibitory activity against all the tested bacteria compared with standard antibiotics. The active fractions gave four spots on the Thin Layer Chromatogram. The detection of other metabolites coupled with antibacterial activities of the plant calls for further work on the plant and its active compound towards development of new drugs for the benefit of humanity. Keywords : Bridelia ferruginea, phytochemical, crude extract, antimicrobial activity, zone of inhibition