Miracle-dz/UniFAR-FTUs huggingface dataset:
Quantitative analysis of common elements in steel using a handheld μ-LIBS instrument

Laser-induced breakdown spectroscopy (LIBS) was named a future superstar. Nevertheless, in the last couple of years, several commercial instruments of LIBS and its different variants have become available on a limited scale due to the confinement of quantitative analysis. In this paper, quantitative analysis of various steel samples using a specially designed handheld μ-LIBS instrument and dominant factor based partial-least squares (PLS) regression with spectral standardization is presented. Average absolute measurement errors of 0.019, 0.039, 0.013 and 0.001% for the elements of Si, Cr, Mn and Ni, respectively, were achieved. The average relative standard deviation (RSD) for these elements was less than 5%. A linear calibration response was obtained for C which is difficult to achieve using traditional PLS and for Cu whose concentration in the samples is very low. The results are better than the results of previous LIBS studies using μJ lasers or portable handheld devices, comparable to those obtained using conventional benchtop LIBS systems and better than those of commercial handheld XRF instruments. The present work presents the best results for steel analysis using portable LIBS systems so far and shows the feasibility of the technology for real industrial applications.
Fast Lithium-ion Conduction in Atom-Deficient Closo-Type Complex Hydride Solid Electrolytes

closo-type complex hydrides contain large cage-type complex polyanions in their crystal structures and thus can exhibit superior ion-conducting properties (e.g., Li and Na). However, the unique structures of complex polyanions have made it challenging to modify crystal structures, making systematic control of ion conductivity difficult. Here, we report an atom deficiency approach to enhance lithium-ion conductivity of complex hydrides. We find that lithium and hydrogen could be simultaneously extracted from Li2B12H12 by applying a small external energy, enabling the formation of atom deficiencies. These atom deficiencies lead to an increase in carrier concentration, improving lithium-ion conductivity by 3 orders of magnitude compared to that of a pristine material. An all-solid-state TiS2/Li battery employing atom-deficient Li2B12H12 as a solid electrolyte exhibits superior battery performance during repeated discharge–charge cycles. The current study suggests that the atom deficiency can be a useful stra.
Physiological and transcriptomic analysis of responses to different levels of iron excess stress in various rice tissues

ABSTRACT Iron (Fe) toxicity is a major nutritional disorder of plants and affects rice yield and production in rainfed and irrigated lowland rice grown in acid soils. Rice plants are reported to have exclusion and inclusion adaptation strategies for preventing damage from excess Fe. However, the molecular mechanisms behind the Fe toxicity response and the identities of the genes involved remain largely unknown. To reveal these mechanisms, we exposed rice plants to different levels of ferrous (Fe2+) excess treatment for 14 days and analyzed their growth, bronzing score, and mineral concentrations. Then, gene expression patterns in various tissues (roots, discrimination center [DC], stems, old leaves [OLs], and newest leaves [NLs]) in response to different levels of Fe excess (×1, ×10, ×20, ×50, and ×70 Fe) were examined using microarray analysis. Our results showed that the higher levels of Fe excess led to more Fe being preferentially translocated to OLs, thus avoiding Fe excess damage in the NL. We proposed three zones of Fe excess levels: the non-affected, affected, and dead zones. As an exclusion strategy, Fe uptake- and transport-related genes were suppressed in roots since in the non-affected zone. Roots are important for preventing Fe uptake to the plant body under Fe excess stress. As inclusion strategies, first, some genes highly induced in various tissues under Fe excess, such as OsNAS3, OsVIT2, and rice ferritin genes (OsFers), may be important for detoxification or isolation of excess Fe within the plant body. OsZIPs may contribute to the maintenance of zinc homeostasis. Second, the plant induces the expression of oxygen and electron transfer genes, cytochrome P450 family proteins, or some NAC-type transcription factors to avoid reactive oxygen species and abiotic stress caused by Fe excess in the affected zone. The plant may use similar Fe homeostasis mechanisms in the non-affected and affected zones in the NL and roots but employ different mechanisms in the OL, DC, and stem tissues. Our results will contribute to current screening and breeding efforts, which aim to develop Fe excess tolerance in diverse rice cultivars, thus increasing rice production in lowland fields.
Computational challenges in Astrochemistry

Cosmic evolution is the tale of progressive transition from simplicity to complexity. The newborn universe starts with the simplest atoms formed after the Big Bang and proceeds toward ‘astronomical complex organic molecules’ (astroCOMs). Understanding the chemical evolution of the universe is one of the main aims of Astrochemistry, with the starting point being the knowledge whether a molecule is present in the astronomical environment under consideration and, if so, its abundance. However, the interpretation of astronomical detections and the identification of molecules are not all straightforward. In particular, molecular species characterized by large amplitude motions represent a major challenge for molecular spectroscopy and, in particular, for computational spectroscopy. More in general, for flexible systems, the conformational equilibrium needs to be taken into account and accurately investigated. It is shown that crucial challenges in the computational spectroscopy of astroCOMs can be successfully overcome by combining state‐of‐the‐art quantum‐mechanical approaches with ad hoc treatments of the nuclear motion, thus demonstrating that the rotational and vibrational features can be predicted with the proper accuracy. The second key step in Astrochemistry is understanding how astroCOMs are formed and how they chemically evolve toward more complex species. The challenges in the computational chemistry of astroCOMs are related to the derivation of feasible formation routes in the typically harsh conditions (extremely low temperature and density) of the interstellar medium, as well as the understanding of the chemical evolution of small species toward macromolecules. Within the transition state theory, for instance, it is possible to obtain new astrochemical information by identifying the intermediate species and transition states connecting them in a plausible formation route. Depending on the sophistication of the model, different quantities may be needed. Nevertheless, accuracy can be critical, thus requiring state‐of‐the‐art computational approaches to derive geometries, energies, spectroscopic properties, and thermochemical data for each relevant structure along the reaction path.
Nutritional Potential Of Citrus Sinensis And Vitis Vinifera Peels

The nutritional potential of the peels of Citrus sinensis and Vitis vinifera was assessed by determining proximate and mineral composition. Results indicate carbohydeate content of the peels of Citrus sinensis and Vitis vinifera as 61.07% and 71.77% respectively. Other findings are crude fibre, 13.51% and 4.96%, proten, 3.73% and 11.35%, fats, 10.34% and 1.16%, moisture, 9.78% and 6.52% and ash 1.57% and 4.24%, for the Citrus sinensis and Vitis vinifera respectively. Mineral analysis revealed the order K>Ca>Mg>Na>Fe in the Citrus sinensis and K>Mg>Fe>Na>Ca in the Vitis vinifera. These results suggest that peels of Citrus sinensis and Vitis vinifera to be nutritive.
Optimization of parameters for supercritical extraction of watermelon seed oil

ABSTRACT The present work shows that watermelon seeds have great potential to producing high linoleic and oleic acid content vegetable oil, which have beneficial effects on human health. In concern with developing new green processes for high-quality yield, the extraction is carried out with supercritical CO2 and compared with conventional extraction technique. Extraction has been conducted within the temperature and pressure range of 60–100ºC and 200–400 bar, respectively. To describe the kinetics, the extended Lack model has been selected and effectively applied to the description of extraction curves. The fitting parameter Z, W, and xk have been optimized by Box optimization technique.
Mechanical, Flammability, and Morphological Properties of Nano-composite Plastic based on Hardwood Flour High-density Polyethylene Embedding by Nano-Zinc Oxide

The influence of the nano-zinc oxide amount was evaluated relative to the flammability behavior, as well as the morphological and mechanical properties of wood plastic composites (WPCs). The polymer amount was approximately 50 wt%, and the lignocellulose material was 50 wt%. Nano-zinc oxide was applied at six weight levels including, zero (control), 1, 2, 3, 4, and 5 phc. For all treatments, the maleic anhydride polyethylene (MAPE) amount was 2 phc. The WPCs were made using a mixture of nano zinc oxide, high-density polyethylene, and mixed hardwood flour injection molding method. The morphological and mechanical properties, such as flexural strength and modulus, were measured. Various tests were conducted with a cone calorimeter, including the amount of char residue, total smoke production, time to ignition, and heat release rate, according to ASTM E1354-92 (1992). The flexural strength and modulus of composites in samples with 5 phc nano-zinc oxide were 79.9% and 27.2% greater, respectively, than in samples without nano zinc oxide. Nano-zinc oxide enhancement to 5 phc increased the ignition time and char residue 105.1% and 121.7%, respectively, and decreased the burning rate and total amount of smoke production 20.3% and 46.0%, respectively. Scanning electron microscope results indicated the presence of nano-zinc oxide agglomerates in the sample.
Stability and performance of a spouted bed in drying skimmed milk: Influence of the cone angle and air inlet device

ABSTRACT This paper investigates the skimmed milk drying over inert particles in a 30 cm diameter spouted bed. Drying was evaluated for conical bases of three cone angles (45°, 60°, and 75°) operating with 4.5 kg of inert particles, and two air inlet devices with different geometries—a Venturi-type nozzle and a straight section pipe. The drying capacity was evaluated from the maximum paste feed rate that allowed stable operation and spouting dynamic behavior throughout drying. It was observed that drying capacity and dynamic stability were greatly affected by the cone angle and the inlet device geometry. From the conditions evaluated, the best configuration with regard to the drying capacity was obtained for the 45° conical base using the Venturi-type inlet device. In this dryer, a rate of 40 mL/min of skimmed milk was processed and a powder with a moisture content of about 10% was produced. The good performance on this configuration was attributed to several factors that affected positively the solid circulation rates and the dynamics stability. Such factors include the operation under a higher static-bed height, the spouting on conical configuration, and the improved aeration of the annular region provided by the inlet device. At this configuration, and for paste feed rates up to the maximum admissible value, the spouted-bed dynamic was almost not affected by the liquid and the wet bed operated under dynamic conditions very similar to those of the dry bed. Using a 75° conical base with the Venturi-type inlet device under a slightly lower drying capacity (35 mL/min) also resulted in quite stable dynamic conditions. The 60° conical base with the Venturi-type device was the configuration that performed worst with regard to drying capacity (30 mL/min).
Vanadium and paramagnetic vanadyl complexes content in asphaltenes of heavy oils of various productive sediments

ABSTRACT Using the atomic absorption spectrometry and electronic paramagnetic resonance techniques, we have investigated the features of vanadium and vanadyl complexes content in asphaltenes of heavy oils of Permian and Carboniferous productive sediments in the Volga-Ural oil and gas basin deposits. The investigation has been carried out using the heavy oils example, where the asphaltene content ranges from 5.1 to 21.2 wt%, and vanadium content varies in the range of 0.009–0.165 wt%. The specificity of asphaltene–vanadium relationship has been found for heavy oils of various productive sediments. It has been demonstrated that vanadium and vanadyl complexes content in asphaltenes of heavy oils in separate productive sediments varies in the certain range limits.
The Effects of Hydromethanolic Extracts of Uncoated and Coated Seeds of Garcinia Kola on the Sexual Behaviour of Male Wistar Rats

: Male sexual dysfunctions which presents in various forms such as erectile dysfunction,premature ejaculation and orgasmic disorders etc. are on the rise.As a result, various treatment options including medicinal plants are been investigated to determine their aphrodisiac potentials. In this study,the extracts of the uncoated seed (pulp) and coated seed of Garcinia kola were assessed for their aphrodisiac properties.Garcinia kola seeds in coated and uncoated forms were separately chopped into smallerpieces,dried and then blended to fine powder.Extraction was done using hydromethanol (1:4) as solvent. Eight (8) male rats were randomly assigned into five (5) groups. Group one 1 which served as control received distilled water. Group two 2and group 3 received100mg/kg and 200mg/kg of the uncoated seed extracts while group 4 and group 5 received 100mg/kg and 200mg/kg of the coated seed extracts respectively.The extracts were orally administered daily for 30 and 60 days. Tests forsexual behavior were done by assessing the mounting latency(ML), mounting frequency(MF),intromission latency(IL), intromission frequency(IF), ejaculation latency(EL), ejaculation frequency(EF) and post ejaculatory interval(PEI). Results obtained showed that precopulatory behaviors such as chasing,sniffing and nosing were increased in the test males.The ML and IL were significantly reduced after30 and 60 daystreatment at higher doses (200mg/kg) of both extractswhereas, the MF and IF were significantly increased in 30 days at higher doses of both extracts, while the IF was significantly increased after 60 days at higher dose of the coated seed.The EL was also significantly increased at the higher doses of both extracts while the PEI was significantly reduced at higher dose of the coated seed. It was concluded that Garcinia kola seed extracts (uncoated and coated) could enhance sexual activity by improving sexual arousability (libido), vigour and potency,as well as prolongation of coital period.However, the consumption of Garcinia kola seed for long-term basis (60 days) for the purpose of sustaining sexual vigour in males may add no physiological value.
In silico modelling of transporter-mediated xenobiotic flux through cells

Drug transporters are increasingly recognised as important drivers in the pharmaco- and toxico-kinetic characteristics of therapeutic agents. Preclinical assays are used to determine the effects of transport on the pharmacokinetics and toxicology of a new compound during drug development. However in vitro cell systems and in vivo animal models often give erroneous results due to the differential expression of important proteins within them. In silico models have been employed to help bridge the gap and make more accurate predictions for drug disposition and metabolism; however such models have not incorporated transport kinetics or induction by nuclear receptors. Many current models also use a reductionist approach, whereby a multiple component pathway is described by a single mathematical term, reducing the ability of the simulation to determine the effects of single parameters. The first aim of this research was therefore to assess the differences in drug transporter expression in a variety of human and rat hepatocellular systems compared to liver. RT-PCR and protein analysis of drug transporter levels in vitro and in vivo showed huge differences, with influx transporters generally being under-expressed and efflux transporters over-expressed in vitro compared to in vivo. These differences were more pronounced at the RNA level than protein level. Transporter expression was also shown to be dynamic, changing over time in culture and in response to nuclear receptor activation. The second aim was to generate an in silico model of cellular response to stimuli, using a whole-cell approach to investigate system dynamics. Kinetics for the lifecycle rhodamiae-123 were determined in vitro and incorporated into an in silico model of human hepatocyte disposition that could accurately simulate outcomes in a variety of cell types and make useful predictions of drug disposition from in vitro results. In conclusion, the in silico model revealed that drug transporter expression and activity may affect drug disposition, with uptake processes presenting as the fragile node in the network. Such a model would be useful in the early stages of drug development to improve extrapolation between biological systems and to identify the likely consequences of different expression levels and species inhibition and induction.
Computational modelling of activation mechanisms in ligand-gated ion channels

Pentameric ligand-gated ion channels (pLGICs) are a family of membrane proteins that mediate the fast synaptic communication between neurons. The delicate role played by these neuroreceptors makes them major therapeutic targets for a variety of neuronal disorders, including Alzheimer’s disease, which can be attributed to flaws in neuronal signalling. pLGICs are formed by five subunits arranged around an ion permeable pore and are activated by the binding of small molecules, the neurotransmitters, which triggers a wave of conformational changes culminating with the opening (gating) of the ion channel. In spite of their importance, we still have a very limited understanding of their behaviour and only in recent years the availability of structural information from experiments and progress in computational methods are opening new possibilities to tackle their complexity at the atomic level. In this project, we investigated the activation mechanisms of prototypical pLGICs with the aid of a number of state-of-the-art and novel computational techniques. In particular, molecular dynamics and metadynamics, a powerful enhanced sampling method to accelerate rare events, were employed to study the binding process of the neurotransmitter GABA to the insect RDL receptor, complementing mutagenesis electrophysiology experiments; binding free energy landscapes and affinities were evaluated both for the wild-type and selected mutants and plausible binding paths were identified. The role of the trans-cis isomerisation of a highly conserved proline on the gating of the serotonin-activated 5-HT3 receptor was also explored with metadynamics. Experiments found this single process to be crucial for the correct functioning of the gate and our simulations showed a correlation between the isomerisation of this proline and conformational changes in the helices lining the pore. Understanding the conformational preference of protein building blocks may thus hold the key to fully comprehend the behaviour of whole receptors. Hence, a novel protocol, based on metadynamics and the dimensionality reduction algorithm sketchmap, was developed to map the conformational free energy of amino acids. As an example, it was applied here to aspartic acid, for which a number of stable conformers, including those experimentally observed with rotational spectroscopy, were identified. The results obtained in this thesis contribute to the fundamental understanding
Effect of exogenous application of micronutrients on growth and yield of Kinnow mandarin under semi-arid zone of Haryana

An experiment was conducted during 2014-15 to assess the performance of Kinnow mandarin to soil and foliar mode of micronutrients application. The study comprised of six treatments, viz., T1FeSO4 42g + MnSO4 21g + ZnSO4 14g, T2FeSO4 84g + MnSO4 42g + ZnSO4 28g, T3FeSO4 126g + MnSO4 63g + ZnSO4 42g, T4FeSO4 168g + MnSO4 84g + ZnSO4 56g, T5Foliar spray of 0.5% each of FeSO4, MnSO4, ZnSO4 + 1% Urea and T6Control (No micronutrients). Four treatments (T1 to T4) were applied through soil in four equal splits. Foliar spray was also performed four times during soil application of micronutrients. All micronutrients treated plants produced higher magnitude of growth and fruit yield over control. However, foliar application of micronutrients produced significantly higher number of fruits, fruit weight, juice content, and fruit yield (28.9 t ha) compared to other treatments.
Effect of California mission fig consumption on levels of c-reactive protein and antioxidant levels

OF THE DISSERTATION Effect of California Mission Fig Consumption on Level of C-Reactive Protein and Antioxidant Levels By Rasha Abdrabou Doctor of Public Health Candidate in Preventive Care Loma Linda University, 2009 Serena Tonstad, MD, MPH, PhD, Chair Susanne Montgomery, MS, MPH, PhD, Co-Chair Polyphenols exert anti-inflammatory and antioxidant effects. We investigated the effect of consumption of polyphenol-rich figs on high sensitivity C-reactive protein (CRP) and antioxidant levels in hyperlipidemic subjects. The purpose of this study was to examine the effect of fig consumption on C-reactive protein and antioxidant levels. Analyses were carried out on collected data from September to December of 2008. Using a crossover design, one hundred and two participants were recruited and randomized into an intervention phase (eating figs) and a control phase (not eating figs) for 5 weeks. Blood samples were drawn from each group at the 4th and 5th week of each phase, centrifuged and frozen. Frozen samples were sent to the University of California Davis Clinical Laboratories for CRP analysis. Antioxidant analysis was done on frozen samples in the Nutrition Laboratory at Loma Linda University via a test and retest method for accuracy using the ferric reducing antioxidant power (FRAP) and total antioxidant capacity (ABTS) tests. Data was analyzed using SPSS for paired t-test analysis for CRP,
Volatile compounds profiles in unroasted Coffea arabica and Coffea canephora beans from different countries

Aroma is the most important factor to assess the quality of coffee, as well as the main aspect of consumers’ choice (Farah et al., 2006). Coffea arabica is often the subject of commercial falsification because of the economic factors. Coffea arabica is often mixed with beans of coffees that are less expensive, such as Coffea canephora, but still labeled as “100% Arabica” or “Highland coffee” and often sold at the same price as real Arabica (Schievano et al., 2014). Most consumers are not experienced enough to recognize the difference between a 100% Arabica and an admixture of Robusta.