Miracle-dz/UniFAR-FTUs huggingface dataset:
High-pressure Raman study of CH4 in melanophlogite (type I clathrate)

Abstract The evolution with pressure of the CH4 vibrational modes related to C-H stretching has been followed by in situ Raman spectroscopy on a single crystal of cubic melanophlogite from Varano Marchesi (Parma, Italy) containing only CH4 in the cages. The sample was compressed hydrostatically in a diamond anvil cell up to 6.5 GPa, using a non-penetrating P-transmitting medium. Two modes at 2900 and 2910 cm-1 (ν1 and ν2) were followed in response to the applied pressure, corresponding to C-H stretching of CH4 enclathrated in the 51262 and 512 cages, respectively. A change in slope of the frequency vs. P linear trend of the sharper peak at 2900 cm-1, observed between 1 and 1.5 GPa, is interpreted as evidence of the P-induced cubic to tetragonal transition, previously observed by X-ray diffraction at P ≥ 1.2 GPa. At pressures below the transition, the shift with P of the CH4 modes is comparable to that observed in methane ice hydrate, which becomes hexagonal at P ≥ 0.9 GPa however. The ratio of the integrated areas of the two C-H stretching Raman peaks does not change significantly with pressure across the transition. At P ≥ 5.1 GPa, a shoulder appears, close to the n1 peak, along with a slight change in slope of peak shift and peak broadening. The shoulder is maintained in decompression down to P = 4.4 GPa, showing slight hysteresis. At the same pressures however, X-ray diffraction shows no evidence of a phase transition, suggesting that a rearrangement of CH4 configuration occurs, without any effect on the tetrahedral framework.
Enhanced antithrombotic effect of hirudin by bovine serum albumin nanoparticles

The aim of this study was to design hirudin-loaded bovine serum albumin (BSA) nanoparticles to control release and improve antithrombotic effect of hirudin. BSA nanoparticles were designed as carriers for delivery of hirudin. Hirudin–BSA nanoparticles were prepared by a desolvation procedure and cross linked on the wall material of BSA. The hirudin–BSA nanoparticles were characterised by particle size distribution, zeta potential, entrapment efficiency, differential scanning calorimetry (DSC), and powder X-ray diffractometry (PXRD). The in vitro release characteristics and pharmacological availability were investigated. The morphology of hirudin–BSA nanoparticles was approximately spherical. The mean particle size was 164.1 ± 5.40 nm and the zeta potential was −20.41 ± 0.64 mV. The mean entrapment efficiency and drug loading were 85.14% ± 4.79% and 66.38% ± 3.54%, respectively. Results from DSC and PXRD revealed that hirudin in BSA existed in an amorphous state. The release behaviours of hirudin from BSA nanoparticles in phosphate buffer solution were fitted to the bioexponential model. The in vivo result obtained after intravenous injection of hirudin–BSA nanoparticles in normal rats demonstrated that BSA nanoparticles could prolong the antithrombotic effect of hirudin in comparison with hirudin solution. These results suggest that hirudin–BSA nanoparticles may be a promising drug delivery system for thrombosis and disseminated intravascular coagulation therapy.
On the Nature and Behavior of Li Atoms in Si: A First Principles Study

On the basis of density functional theory calculations, we present the bonding and dynamic behavior of Li atoms in crystalline Si and how the incorporation of Li atoms affects the structure and stability of the host Si lattice. Our calculations clearly evidence that the inserted Li atom energetically prefers a tetrahedral interstitial site while exhibiting a shallow donor level. Because of their positive ionization, the interactions between neutral Li impurities are repulsive, suggesting that they favorably remain isolated, rather than clustered. We also find that the charge transferred from neutral Li is largely localized within the first nearest Si atoms, thereby effectively screening the positively ionized Li. In addition, our electronic structure analysis highlights that the charge transfer leads to a significant weakening of nearby Si−Si bonds by filling the antibonding sp3 states of Si. The mobility of Li interstitials is also estimated in the neutral and positive charge states.
Enhanced Oil Recovery and Adsorption of Ionic Surfactant

In this work, three ionic surfactants (F, G, and H) were evaluated in surfactant adsorption experiment and oil recovery tests. Both sets of tests were carried out in a surfactant flooding apparatus, using 30 psi as pressure gradient. The concentration of the solutions injected in adsorption and recovery tests were 30–80% above the critical micelle concentration, to ensure micelle formation. The results obtained showed that adsorption was higher for G (2.7 g.L−1) and the better oil recovery was for G (89.0%).
Cognitive change in mental models with experience in the domain of organic chemistry

We examined cognitive change in students' mental models, and consequently their problem-solving strategies, as a result of instruction in the domain of organic chemistry. Three groups of students received organic chemistry instruction that emphasised either imagistic strategies, analytic problem-solving strategies, or their combination. Before instruction, students' solution strategies were largely imagistic. After instruction, imagistic strategies comprised a minority of the strategies reported, indicating a switch from analogue mental models to more abstract representations. This switch was moderated by instruction and ability such that students who received analytic instruction used more analytic strategies after instruction and students with higher spatial ability used more imagistic strategies after instruction. Problem-solving success was associated with using a greater range of strategies. These results are consistent with research in other domains suggesting that imagistic mental models are associated with novelty, and as students gain more experience in a domain, they adopt domain-specific heuristics and rules when possible.
Aromatic Saturation: A Means to Cleaner Transportation Fuels

In the era of highly informed public opinions about environmental issues, requirement of "reformulated" transportation fuels need not be over-emphasized. In this work recent developments pertaining to compositional changes of diesel, chiefly saturation of aromatics, including those with multi-rings, have been reviewed. High aromatic content results in low cetane number of diesel and increased emission of particulate matters. These particulate matters as well as aromatics are known to be responsible for diseases like cancer, tuberculosis, etc. Here reactivity of aromatic compounds in hydrogenation reaction, thermodynamic, catalysis, and kinetic aspects of hydrodearomatization reaction have been addressed. Effects of poison like sulfur on the catalysts' performance and methods to resist the poisons have been discussed.
Doping Metal into Calcium Phosphate Phase for Better Performance of Bone Implant Materials

For many years calcium phosphate based materials have been used to create bone substitutes as alternatives to human transplant. Most calcium phosphate biomaterials are characterized by high biocompatibility and excellent ability to undergo varying degrees of resorbability. Numerous investigations have been made to study calcium phosphate ceramic materials as bone substitutes. This patent review however, focuses on metal-doped calcium phosphates produced by vari- ous methods for clinical applications. A variety of synthesis methods have been employed to produce metal-doped cal- cium phosphates and different methods may produce different final products and characteristics in terms of crystallinity, morphology and stoichiometry. There are many metal ions such as magnesium (Mg), strontium (Sr), manganese (Mn), iron (Fe), zinc (Zn) and silver (Ag) that have been doped successfully into calcium phosphates to enhance their mechani- cal and biological properties. These biomaterials can be served as scaffold for bone regeneration with adequate mechani- cal properties to restore bone defects and facilitate healing process. The significant improvement in certain metal-doped calcium phosphates in terms of physico-chemical, biological and mechanical properties has shown the relevance in the development of metal-doped HA for biomedical applications. This paper provides a review of doping of the most com- mon metals into calcium phosphate phase in order to optimize its performance as bone substitute materials. Some recent patents related to metal doped calcium phosphate ceramics are also reviewed.
Human Health Effects of Air Pollutants

Eight adult male volunteers were exposed to ozone (O3) alone and then in combination with nitrogen dioxide and carbon monoxide under conditions simulating ambient air pollution exposures. Four “normal” men showed few or no effects from repeated exposures. Four male volunteers with a history of “hyperreactive” airways, but with normal base line pulmonary function spirometric studies, after O3 exposure developed definite symptoms and decrement in pulmonary function.
Effects of water stress and re watering on ribulose-1,5-bis-phosphate carboxylase activity, chlorophyll and protein contents in two cultivars of tomato

SummaryThe effects of water deficit and rewatering on ribulose-1,5-bis-phosphate carboxylase activity, chlorophyll and protein content were evaluated in plants of two cultivars of tomato. During the water deficit period, values of water potential, osmotic potential and relative water content decreased along with associated decreases in RuBPcase activity, protein content and chlorophyll content, being less marked for chlorophyll content. There was a significant correlation of RuBPcase activity and protein content with components of leaf water status from plants under water stress. The associated decrease of RuBPcase, chlorophyll and protein contents with decreased osmotic potential during the development of water deficit was evident. At the time the plants reached a water potential of –1.40 to –1.56 MPa (RI: first level of recovery after water stress), one group of plants was rewatered. The rest were kept under stress until the water potential reached values of –2.30 to –2.51 MPa (RII: second level of reco.
Chemical fractionation and solubility of phosphorus in dairy manure-amended soils as a predictor of phosphorus concentration in runoff

Chemical Fractionation and Solubility of Phosphorus in Dairy Manure-Amended Soils as a Predictor of Phosphorus Concentration in Runoff. (December 2005) Laura Elizabeth Harstad, B.S., Texas A&M University Chair of Advisory Committee: Dr. S. E. Feagley Nutrient over-loading in many dairy manure-amended soils in the dairy producing areas of Texas has led to environmental problems as such eutrophication of local surface water bodies. One of the nutrients contributing to eutrophication problems is phosphorus (P). This project focused on fractionation and solubility of selected P forms in an effort to determine a relationship with P found in runoff from dairy manureamend soils. Ten soils (5 calcareous, 5 noncalcareous) were collected from the dairy producing areas of Texas. Triplicate soil samples were analyzed for 0-5 cm and 5-15 cm depths. An acid-base extraction method was used to determine total P (TP), inorganic P, and organic P. Sequential extractions were used to determine the loosely-bound P, iron (Fe) phosphates, aluminum (Al) phosphates, reductant soluble P, occluded apatite P, and calcium (Ca) phosphates for calcareous and noncalcareous samples. The ammonium oxalate method was used to determine extractable Fe, Al, and silicon (Si). Potassium chloride extraction was used to determine soluble Ca, Al, Fe, Mg, and P. A weak NaOH extract was used to determined the amount of bioavalible P. Dissolved P in runoff events and soil pH were collected in a previous study.
Relationship between super-knock and pre-ignition

High boost and direct injection are the main tendency of gasoline engine technology. However, pre-ignition/super-knock tends to occur at low-speed high-load conditions, which is the main obstacle for improving power density and fuel economy. This work distinguished the relationship between super-knock and pre-ignition by experimental investigation and numerical simulation. The experiment was conducted on a turbocharged gasoline direct injection engine with compression ratio of 10. The engine was operated at an engine speed of 1750 r/min and the brake mean effective pressure of 2.0 MPa under stoichiometric conditions. Super-knock is the severe engine knock triggered by pre-ignition. Pre-ignition may lead to super-knock, heavy-knock, slight-knock, and non-knock. Significantly advancing spark timing can only simulate pre-ignition, not super-knock. Although knock intensity tends to increase with earlier pre-ignition timing, higher unburned mixture fraction at start of knock, and higher temperature and pressure of the unburned mixture at start of knock, knock intensity cannot be simply correlated to any of the parameters above. A one-dimensional model is set up to numerically simulate the possible combustion process of the end-gas after pre-ignition. Two distinct end-gas combustion modes are identified depending on the pressure and temperature of the mixture: deflagration and detonation. Hot-spot in the mixture at typical near top dead center pressure and temperature condition can only induce deflagration. Hot-spot in the unburned end-gas mixture at temperature and pressure conditions above ’’deto-curve’’ may induce detonation. The mechanism of deto-knock may be described as hot-spot-triggered pre-ignition followed by hotspot- induced deflagration to detonation.
Effect of zinc and boron on growth, yield and quality of tuberose (Polianthes tuberosa L.) cv. Prajwal

Tuberose (Polianthes tuberosa L.) is an ornamental bulbous plant belongs to the family Amaryllidaceae, native of Mexico. Tuberose is a night-blooming tropical and subtropical bulbous flower crop. Among the ornamental bulbous plants valued for their beauty and fragrance of the flowers, the tuberose occupies a very selected and special position. It consists of about 12 species and an important, popular flower crop being cultivated on a large scale for its scented flower in many parts of the world and in plains of India. The flowers remain fresh for long time and withstand long distance transportation and find the useful place in the flower market. It is a prominent plant in Indian culture and mythology.1 Now a days, micronutirents are gradually gaining momentum among the flower growers because of their beneficial nutritional support, better harvest and returns. Best response of African marigold,2,3 Chrysanthemum4,5 for small quantities of micronutrients have been demonstrated. Micronutrients are to be necessarily taken up by the plants from soil or supplemented through foliar application for good growth and yield of crops and maximizing the efficient use of applied N, P and K. In the absence of the micronutrients, the plants are known to suffer from physiological disorder which eventually leads to imbalanced growth and low yield.
How tissues tell time Exploring transcriptional controls ensuring phase- and tissue-specific circadian rhythms of gene activities in peripheral cells

A circadian clock in peripheral tissues regulates physiological functions through gene expression timing. However, despite the common and well studied core clock mechanism, understanding of tissue-specific regulation of circadian genes is marginal. Overrepresentation analysis is a tool to detect transcription factor binding sites that might play a role in the regulation of co-expressed genes. To apply it to circadian genes that do share a period of about 24 hours, but differ otherwise in peak phase timing and tissue-specificity of their oscillation, clear definition of co-expressed gene subgroups as well as the appropriate choice of background genes are important prerequisites. In this setting of multiple subgroup comparisons, a hierarchical method for false discovery control reveals significant findings. Based on two microarray time series in mouse macrophages and liver cells, tissuespecific regulation of circadian genes in these cell types is investigated by promoter analysis. Binding sites for CLOCK:BMAL1, NF-Y and CREB transcription factors are among the common top candidates of overrepresented motifs. Related transcription factors of BHLH and BZIP families with specific complexation domains bind to motif variants with differing strengths, thereby arranging interactions with more tissue-specific regulators (e.g. HOX, GATA, FORKHEAD, REL, IRF, ETS regulators and nuclear receptors). Presumably, this influences the timing of pre-initiation complexes and hence tissue-specific transcription patterns. In this respect, the content of guanine (G) and cytosine (C) bases as well as CpG dinucleotides are important promoter properties directing the interaction probability of regulators, because affinities with which transcription factors are attracted to promoters depend on these sequence characteristics.
Exploring the Experiences of Designing and Managing Cooking Online Training During The Covid-19 Pandemic

the Experiences of Designing and Managing Cooking Online Abstract A group of graduate students was assigned to design and conduct training as their group project. Nevertheless, the whole world, including Malaysia was hit by the Covid-19 pandemic. Everyone in the country was under the first phase of the Movement Control Order (MCO). Hence, face -to-face training was not a viable option. Alternatively, the students had to conduct online training. The assignment was the first-time experience for them to design and provide training. A question arose on how well the graduate students' experience was in designing, implementing, and evaluating online training. This article presents a qualitative study on implementing an online training program titled "Learning How to Make Halal Chinese Dumplings Online! " by graduate students in the Training Design and Management course at Universiti Putra Malaysia. This study aimed to explore the design and implementation of the online training program. Data collection was through an online focus group discussion (FGD) involving 11 respondents and a document analysis of a written report by the training implementers. The central theme that emerged from the data analysis is training design for online training. Meanwhile, the sub-themes are as follows: (a) training needs analysis and rationale for online training in making halal Chinese dumplings, (b) training design, (c) training evaluation, and (d) challenges in conducting online training. Methodologically, this study implies the feasibility of successful data collection via online platforms. The findings on the well-designed and implemented online training based on training needs analysis and continuous evaluation suggested that we could still gain access to
Effect of polyfluorination on self-assembling and electronic properties of thioalkyl-porphyrazines

The novel polyfluorinated thioalkyl-porfirazine 2,3,7,8,12,13,17,18-octakis(1,1,1,2,2,-3,3,4,4-nonafluorohexylthio)-5,10,15,20-21H,23H-porfirazine was synthesized to investigate the fluorine effect on self-aggregation, electrochemical, and spectral properties of this class of tetrapyrrole macrocycles. This compound showed an ordered and quite thermally stable columnar discotic mesophase, never seen in non-fluorinated symmetrically substituted “free-base” thioalkyl-porphyrazines, revealing a significant effect of fluorine on molecular self-assembling properties. An important effect of fluorination was also observed on the spectral and electrochemical properties of the molecule, giving rise to a hypsochromic shift in the 400–700 nm range of UV-vis absorption spectrum and to a marked cathodic shift of the reduction potentials in respect to the non-fluorinated analogs. DFT and TDDFT calculations has been undertaken to elucidate the origin of the observed behavior. Interestingly, HOMO, LUMO, and band-gap values together with its mesomorphic properties make this compound a promising material for organic photovoltaics.
Intravenous administration of trans-resveratrol-loaded TPGS-coated solid lipid nanoparticles for prolonged systemic circulation, passive brain targeting and improved in vitro cytotoxicity against C6 glioma cell lines

trans-Resveratrol (RSV), a natural molecule isolated from red wine, is widely known for several therapeutic potentials. RSV is proved for cardioprotective, vasodilation, anti-inflammatory, and anticancer effects. Recently, anticancer potential against glioma cells has also been reported. However, the clinical application of RSV in glioma treatment is largely limited because of its rapid metabolism and elimination from systemic circulation thereby exhibiting low biological half-life and poor brain distribution as well. Therefore, the main objective of this study was to enhance the circulation time, biological half-life and passive brain targeting of RSV using D-α-tocopheryl polyethylene glycol 1000 succinate (TPGS)-coated solid lipid nanoparticles (RSV-TPGS-SLN). RSV-TPGS-SLN formulations were prepared by a solvent emulsification evaporation method and evaluated for several nanoparticulate characteristics. In vitro anticancer potential and cellular internalization of nanoparticles were also investigated in C6 glioma cell lines. Pharmacokinetics and biodistribution studies were carried out following intravenous administration in healthy Charles Foster rats. RSV-TPGS-SLN showed significantly higher in vitro cytotoxicity against C6 glioma cell lines and excellent cellular internalization. RSV-TPGS-SLN showed 11.12 and 9.37 times higher area under the curve and plasma half-life than RSV solution, respectively. Moreover, brain distribution of RSV-TPGS-SLN was found to be 9.23 times higher in comparison to that of RSV alone. Thus, we anticipate that the RSV-TPGS-SLN formulation can be applied as a potential tool for improving circulation time, biological half-life and passive brain targeting of RSV, thereby being immensely useful in the treatment of glioma.
Combined (S)TEM-FIB Insight into the Influence of the Preparation Method on the Final Surface Structure of a Co3O4/La-Modified-CeO2 Washcoated Monolithic Catalyst

A detailed structural and chemical characterization study has been performed, both at the micrometer and nanometer scale levels, throughout the different steps of preparation of a catalytic device consisting in Co3O4/La-modified-CeO2/Al2O3 powders washcoated onto a honeycomb-type cordierite monolith. High-resolution transmission electron microscopy (HREM) images obtained from the initial catalyst powder allowed us identifying the formation of 50–100 nm crystallites of a Co3O4 phase in contact with bundles of much smaller CeO2nanocrystallites. For the catalytic device, backscattered electron images and X-ray energy dispersive spectroscopy (XEDS) elemental maps acquired in a scanning electron microscope (SEM) provided quantitative estimate of key parameters of the washcoated monolith as the thickness of the catalyst coating and the percentage of the monolith internal surface covered by the active catalytic components. Electron transparent cross-section lamellae of the monolith coating were also prepared by .