Miracle-dz/UniFAR-FTUs huggingface dataset:
First-principles studies of the thermodynamic properties of bulk Li

We have calculated the electronic structure and the vibrational properties of bulk Li in the fcc and bcc structures using large super-cells and an ab initio, non-local pseudopotential approach with a plane-wave expansion. The method is based on the density functional theory with core corrections and local exchange and correlation effects. The calculated phonon dispersion curves for the bcc structure are compared with the neutron scattering data. The difference between the Helmholtz free energies for the bcc and the closed-packed structures, in the harmonic approximation, is found to be small for the temperature range of interest. The zero-point energies for both structures are substantial, while the heat capacity differential displays a switch at around 90 K.
Effective Rotational Viscosity of Vertical Alignment Nematic Liquid Crystal Cells

An effective rotational viscosity of vertical alignment (homeotropic) nematic liquid crystal (NLC) cells with negative dielectric anisotropy is derived from a theory of NLCs in which flow effects under the free-slip boundary condition are taken into account. The effective rotational viscosity is a function of the Leslie viscosity coefficients and is much smaller than the rotational viscosity at the initial stage of the director reorientation induced by external electric field to the NLC cells. This is the origin of fast response of vertical alignment of NLC cells.
Cadmium accumulation in wheat grain as affected by mineral N fertilizer and soil characteristics

Li, X. , Ziadi, N. , Belanger, G. , Cai, Z. and Xu, H. 2011. Cadmium accumulation in wheat grain as affected by mineral N fertilizer and soil characteristics. Can. J. Soil Sci. 91: 521–531. Cadmium (Cd) is a heavy metal distributed in soil by natural processes and anthropogenic activities. It can accumulate in crops, such as spring milling wheat (Triticum aestivum L.), and its accumulation depends on crop species, soil factors, and agricultural practices like fertilizer inputs. Our objective was to study the effect of mineral N fertilizer and soil characteristics on wheat grain Cd concentration. A field study was conducted over 12 site-years (2004–2006) in Quebec, with four N application rates (0, 40, 120, and 200 kg N ha−1). Wheat grain samples (n=192) were analysed for their Cd and N concentrations. Soil samples (n=48) taken before N fertilizer application were characterised for their chemical and physical properties, including Mehlich-3 extractable Cd concentration. Wheat grain Cd concentration increased .
Effect of ascorbic acid and hemin on experimental colon
 carcinogenesis in mice

Colon cancer is known as the third most widespread cancer in the world. The interaction of heme-iron and ascorbic acid (AA) in colon carcinogenesis is not evident. Hemin (ferric chloride heme) is an iron-containing porphyrin with chlorine that can be formed from a heme group. The purpose of this study was to investigate the protective effect of AA on the formation of pre-neoplastic lesions induced by azoxymethane (AOM)/dextran sodium sulfate (DSS) plus hemin in mice. Forty-five ICR male mice were divided into three experimental groups; AOM/ DSS treatment (control group), hemin (2 g hemin/kg of b.w.), hemin + AA (1.0% in drinking water). The mice had three s.c. injections (0–2nd weeks of the experiment) of AOM (10 mg/kg b.w.) weekly and 2% DSS as drinking water for the next one week and the animals fed on AIN-76A purified rodent diet for 6 weeks. The numbers of aberrant crypt foci (ACF) and aberrant crypts (ACs) in colonic mucosa were counted after methylene blue staining. Lipid peroxidation in feces was measured by the thiobarbituric acid-reactive substances (TBARS) assay. The numbers of ACF and ACs per colon significantly increased in Hemin group compared to the control group. However, the numbers of ACF and ACs per colon notably decreased in hemin + AA group compared to the control group or hemin group (p<0.05). In feces, the TBARS value of hemin group was higher than the control group (p<0.01). The TBARS value of hemin + AA group was slightly decreased compared to Hemin group. These results indicate that hemin can promote the experimental colon carcinogenesis in ICR mice. On the other hand, additional supplement of AA via drinking water has a protective effect against the colon carcinogenesis. The related mechanisms need to be illustrated by further studies in future.
Bipolar and unipolar resistive switching behaviors of sol–gel-derived SrTiO3 thin films with different compliance currents

The SrTiO3 (STO) thin films on a Pt/Ti/SiO2/Si substrate were synthesized using a sol–gel method to form a metal–insulator–metal structure. This device shows the bipolar resistance switching (BRS) behavior for a compliance current Icc of less than 0.1 mA but exhibits soft breakdown at a higher level of compliance current. A transition from the BRS behavior to the stable unipolar resistive switching behavior (URS) was also observed. We found that the BRS behavior may be controlled by the structure interface while the URS behavior is likely bulk controlled. Our study indicates that the external compliance current is a key factor in resistance switching phenomenon of STO thin films.
Hg(II) Removal from Aqueous Solution by Dead Fungal Biomass of Marine Aspergillus niger: Kinetic Studies

Abstract Mercury removal from wastewater is a recognized pollution control challenge today. In the present investigation, the biosorption of Hg(II) onto the dead biomass of four different species of marine Aspergillus, prepared by alkaline treatment, was studied. Among the cultures studied, A. niger was found to be the most efficient for Hg(II) removal. The effects of initial Hg(II) concentration, contact time, pH, temperature, and biosorbent dosage on biosorption were also investigated. It was observed that biosorption equilibriums were established in about 2 h. Under the optimum conditions (pH: 3.0, Hg(II) concentration: 250 mg/L, biomass dose: 0.8 g/L, temperature: 40°C and contact time: 2 h), 40.53 mg Hg(II) was biosorbed per gram of dead biomass of A. niger. Kinetic studies based on fractional power, zero order, first order, pseudo first order, Elovich, second order, and second order rate expressions have also been carried out where the pseudo second order model exhibited best fit to experimental data. The intra‐particle diffusion study revealed that film diffusion is the rate‐limiting sorption process for Hg(II) on A. niger. The nature of the possible cell–metal ion interactions was evaluated by FTIR, SEM, and EDAX analysis. These examinations indicated the involvement of ‐OH and ‐NH2 + groups in the biosorption process present on the surface of the dead fungal biomass. Here, Hg(II) ions were deposited on the surface of the biomass as a film like structure.
Surface Modification of Sputtered Carbon Supercapacitor Electrode by Hydrogen Annealing

In the applications of renewable energy; use of energy in the electric vehicles and many other electronic devices such as mobile devices and computers; electrical energy storage is essential. Batteries are used to store electrical energy but have low power density and lower cycle life. Using extremely porous electrode materials for supercapacitors, based on quick ion transport, are specialized to provide high power density, long stability and effective energy storage. Using graphene-based electrode is the best way to boost the energy density of supercapacitor. Graphene synthesized by chemical exfoliation, ultrasonic exfoliation and solution based chemical reduction suffers agglomerations that tends to restack the graphene sheets. In the present work, we studied the option of hydrogen gas annealing to obtain graphene from amorphous carbon film, coated on Cu substrate using sputtering. For electrochemical assessment, in situ developed film was compared with graphene applied from other methods of graphene synthesis. Atomic force microscopy (AFM) results revealed that annealed carbon sputtered electrode has high route mean square (RMS) roughness i.e 181.5 nm, most probably because of graphene formation. Cyclic voltammogram (CV) results show less area curve for annealed electrode which depicts high active area for charge storage and enhanced conductivity due to deposited graphene layer.
Tuning the Ablation, Thermal and Mechanical Characteristics of Phenolic Resin Reinforced EPDM Ultra-High Temperature Insulation

The present research reports the influences of variant phenolic resin concentrations on the thermo-mechanical and ablation characteristics of ethylene propylene diene monomer (EPDM) elastomer. Backface temperature acclivity (BTA), charring rates, and insulation indexes were executed for the fabricated composite specimens. It was noticed that BTA was enhanced while linear/radial/mass ablation rates were significantly diminished with increasing concentration of phenolic resin (PR) in base matrix (elastomeric polymer). The composite (30wt%PR/EPDM) has 25% high thermal endurance compared to virgin EPDM composite. Thermal conductivity was increased with increasing PR to EPDM ratio. PR incorporation has remarkably enhanced the ultimate tensile strength of the EPDM elastomer. An efficient improvement in elastomeric hardness was also observed with increasing PR contents in EPDM matrix. Scanning Electron Microscopy (SEM) results showed the porosity generation and polymer melting during ablation.
Computational Study: Noncovalent Interaction of Cys-Ala Peptide with Alkaline Earth Metal Ions and its Conformation Changes

The study of the intermolecular interactions is important to explain the phenomenon occurred on the human body. One of the most important processes that can be studied is the interaction of the peptide with metal ions. In this study, a computational approach was harnessed to predict the interaction and the changes in peptide’s conformation between Cys-Ala peptide which is one of the important amino acids in e-cadherin with some of alkaline earth metal ions. Cys-Ala peptide (Ac-CA-NH2) was used as a molecular model in this calculation. All the molecular structure involved in the interaction was optimized by density functional theory DFT/M06-2X, and basis set 6-31G** to obtain minimum energy, the interaction energies, and the changes in its conformation. The results showed that the interaction energy of Ac-CA-NH2 with alkaline earth metal ions from top to bottom based on the Periodic table is getting higher in a row. The interaction energies of Ac-CA-NH2 with Be2+, Mg2+ and Ca2+ ions are -2.393kcal, -17.489 kcal, and -25.938 kcal respectively. These energies were obtained from the interaction of the peptide with ions in a water solvent. The changes in the peptide's bond length and dihedral angle indicate a conformational change in the Cys-Ala peptide, but it still maintains the trans conformation in its peptide bonds. The results and evaluations of this study may be used for further research considerations and may be applied to enzymes or other peptides that have the Cys-Ala residue.
Comparison of Total Immunoglobulin G in Ante- and Postmortem Blood Samples from Tissue Donors

Background: A serology testing for infectious diseases (HIV, hepatitis B and C, syphilis) is mandatory in tissue donors. In many donors postmortem blood is the only sample available. Even though serological tests and nucleic acid amplification tests (NAT) used are validated for postmortem blood, a characterization of those blood samples is not yet established. We therefore investigated the total immunoglobulin G (IgG) content in postmortem blood of tissue donors and compared it to a corresponding antemortem blood sample. Methods: Ante- and postmortem blood samples were obtained from 100 consecutive tissue donors. The total IgG of all samples was measured using an immune-turbidometric test on the AU 480 Chemistry Analyzer (Beckman Coulter). Results: The mean total IgG concentration of antemortem blood samples from all 100 donors was 8.9 g/L ± 3.7 g/L (median 8.9 g/L, range 1.5 to 23.8 g/L). In 80 donors the IgG concentration in the antemortem blood sample was within the normal range with values ≥6 g/L (mean 10.0 g/L ± 3.3 g/L, median 9.3 g/L,). The total IgG concentration of the postmortem blood samples was lower with 7.2 g/L ± 3.2 g/L (median 6.7 g/L, range 0.6 to 18.2 g/L). The difference between the values of the antemortem and postmortem blood samples was 1.7 g/L ± 2.6 g/L (16.3%) (median 1.6 g/L, range –7.7 to 10.1 g/L). In 36 donors this difference was less than 10%, in 23 it was between 10 and 25%, in 33 between 26 and 50%, and in 8 over 50%. In 57 donors the total IgG in the postmortem blood sample was within the normal range with ≥6 g/L, in 53 of them also the value of the antemortem blood sample was within the normal range. No correlation for total IgG was found regarding the donor characteristics (age, sex, disease) and the sample characteristics (hemolysis, postmortem time). Conclusion: Total IgG values in antemortem samples were below the lower limit of 6 g/L in 20% of the cases. Total IgG was significantly lower in the postmortem samples compared to the antemortem samples, while 57% were still above the lower limit. No correlation with the postmortem time could be found. This lowered IgG levels should be payed attention to when using postmortem blood for infectious serology testing. Additional NAT testing should be considered.
Draft Genome Sequence of Streptococcus agalactiae TA B490, a Multidrug-Resistant Strain Isolated from Bovine Mastitis in Argentina

Streptococcus agalactiae is a bovine pathogen that causes intramammary infections. For humans, S. agalactiae is a leading cause of neonatal death and an emerging pathogen in adults. Here, we present the draft genome sequence of S. agalactiae TA B490, a multidrug-resistant strain isolated from bovine mastitis in Argentina. ABSTRACT Streptococcus agalactiae is a bovine pathogen that causes intramammary infections. For humans, S. agalactiae is a leading cause of neonatal death and an emerging pathogen in adults. Here, we present the draft genome sequence of S. agalactiae TA B490, a multidrug-resistant strain isolated from bovine mastitis in Argentina.
Analysis of Bacteroides fragilis Clinical Strains Isolated in Kazakhstan

Our aim was to study the nucleotide sequences of 9 previously undescribed strains of B. fragilis collected from patients with intra-abdominal diseases at city hospitals in Nur-Sultan, Kazakhstan. ABSTRACT Our aim was to study the nucleotide sequences of 9 previously undescribed strains of B. fragilis collected from patients with intra-abdominal diseases at city hospitals in Nur-Sultan, Kazakhstan.
Volatile Organic Compounds and Nonspecific Conjunctivitis: A Population-Based Study

Volatile Organic Compounds (VOCs) are present in both indoor and outdoor environments, and have the potential to adversely impact the health of all age groups of people that are exposed to them. This study examines and assesses the short-term effects of VOCs on nonspecific conjunctivitis. Data were collected from outpatient visits for nonspecific conjunctivitis in air-quality monitoring areas. Air quality data were collected from the Taiwan Environmental Protection Administration’s air quality monitoring stations. To find the immediate and lag effects of VOCs, an area-specific, casecrossover analysis was performed and a meta-analysis with random effects was used to combine the area-specific results. The results show that toluene, m,p-xylene, o-xylene, propylene, and benzene had higher maximum incremental reactivity (MIR) values and concentrations in air than any of the other studied VOCs. These 5 VOCs also had the strongest shortterm effects on outpatient visits for nonspecific conjunctivitis. The effect was strongest for toluene, and there was a 1.3% increase [95% confidence interval (CI), 0.4–2.2] for an interquartile range rise in concentration. The results showed no evident lag effects. This study, which combined and integrated VOC and ophthalmologic data to investigate associations between outpatient visits for nonspecific conjunctivitis and VOC levels, found that there was a correlation between these visits and the short-term effects of VOCs, suggesting possible causes for nonspecific conjunctivitis.
Oxidative stability of breast meat from broilers fed diets supplemented with synbiotic and organic acids

Abstract The purpose of this study was to investigate the effect of synbiotic and organic acids on oxidative stability of breast broiler meat. The experiment consists on 120, 2 days old Ross 308 chicks, housed in metabolic cages (6 chicks/cage). A 2 x 2 factorial arrangement was considered with 4 treatments and 5 replicates (30 animals per group). Two different levels of synbiotic (0 and 10 g/kg) and two different levels of organic acids (0 and 1.5 g/kg) were added to the standard diets in order to constitute the four experimental diets. For further analysis, breast meat from 6 animals per group were collected in 42nd experimental day. No significant differences were noticed for any oxidative parameter measured in breast samples except TBARS (significant decreased values for OA supplemented groups), at the end of experiment. After 4 days of refrigeration (4°C), the secondary oxidative products (panisidine, TBARS) were significant smaller for E groups, compared to C. After 7 days of refrigeration (4°C), the OA groups had significant smaller values for primary (CD) and secondary oxidation products. Synbiotic and organic acids supplements presented positive effect on meat quality by increasing oxidative stability of breast meat during storage.
Vegetation period of genetic resources of flax (Linum usitatissimum L.)

Abstract Introduction Institute of Natural Fibres and Medicinal Plants (INF&MP) is involved in gathering and evaluation of genetic resources of flax (Linum usitatissimum L.), hemp (Cannabis sativa L.) and medicinal plants, because Poland has signed the Convention on Biological Diversity. Field trials were carried out in 1990–2001 in the Experimental Station in Wojciechów located in Opolskie region. The research material was accessions of genetic resources from the collection of flax, stored at the Institute of Plant Breeding and Acclimatization Institute in Radzików near Warsaw. Objective The aim of the publication was to evaluate the following biological features of flax: time of beginning of flowering and vegetation period to yellow maturity. Methods The characteristics data for flax accessions are presented according to the methodology of development of the International Flax Database. Each flax accessions from the world collection of flax genetic resources received one of the following assessments of two vegetation periods: very short, short, medium, long and very long. Descriptors of biological features of flax were used, presented in “List of flax descriptors (L. usitatissimum L.)” edited by Janka Nozkova, published in 2011. These descriptors are used to develop the International Flax Database, which in turn helps in the rapid evaluation of the L. usitatissimum genetic resource collection. Carrying out a detailed characterization of biological features of L. usitatissimum accessions is very helpful for breeders in selecting genetic material for breeding new varieties of flax. Results The following results were obtained from the time of the beginning of flowering and the vegetation period to yellow maturity. Time of beginning of flowering was the following: very short – 0 accessions, short – 97 accessions, medium – 20 accessions, long – 2 accessions and very long – 0 accessions of flax. The genotypes tested were characterized by the following results in terms of vegetation period from sowing to yellow maturity: very short – 0, short – 37, medium – 62, long – 0 and very long – 0 accessions of flax. Conclusions Time of beginning of flowering and the vegetation period to yellow maturity shall be revalorised to the International Flax Database for those L. usitatissimum accessions that did not receive the same assessment of the biological features tested in the two or three years of the study.
Learning to use Muscles

Abstract The human musculoskeletal system is highly complex mechanically. Its neural control must deal successfully with this complexity to perform the diverse, efficient, robust and usually graceful behaviors of which humans are capable. Most of those behaviors might be performed by many different subsets of its myriad possible states, so how does the nervous system decide which subset to use? One solution that has received much attention over the past 50 years would be for the nervous system to be fundamentally limited in the patterns of muscle activation that it can access, a concept known as muscle synergies or movement primitives. Another solution, based on engineering control methodology, is for the nervous system to compute the single optimal pattern of muscle activation for each task according to a cost function. This review points out why neither appears to be the solution used by humans. There is a third solution that is based on trial-and-error learning, recall and interpolation of sensorimotor programs that are good-enough rather than limited or optimal. The solution set acquired by an individual during the protracted development of motor skills starting in infancy forms the basis of motor habits, which are inherently low-dimensional. Such habits give rise to muscle usage patterns that are consistent with synergies but do not reflect fundamental limitations of the nervous system and can be shaped by training or disability. This habit-based strategy provides a robust substrate for the control of new musculoskeletal structures during evolution as well as for efficient learning, athletic training and rehabilitation therapy.
Effect of Acute Heart Rate Variability Biofeedback on H-reflex Modulation: A Pilot Study

Abstract Heart rate variability biofeedback (HRV BFB) is paced breathing scheme that stimulates resonance in the cardiovascular system. This study aimed to investigate the effect of a single-session HRV BFB on Hoffman reflex (H-reflex) of the soleus muscle. Twelve healthy males (height: 173.7 ± 7.18 cm; weight: 72.7 ± 17.7 kg; age: 24.0 ± 5.02 yrs) completed a randomized-crossover intervention involving a 10-minute HRV BFB and normal breathing (CON) separated by 48 hours. Results revealed significantly lower 1a afferent activation after HRV BFB. Similarly, the HRV BFB also demonstrated lower proportion of activated motor neurons from 1a afferents. In conclusion, an acute HRV BFB influenced the reduction in motoneuron excitability at resting condition.