Miracle-dz/UniFAR-FTUs huggingface dataset:
Biophysics of Blood Platelet Contraction

This work is part of a project on blood platelet contraction using an innovative double approach to experiments. First, we adapted the experimental technique, traction force microscopy (TFM), to our cellular system, and measured forces generated by single, activated platelets with hitherto unknown spatial and temporal resolution. In a second set of experiments, we looked at both force generators and force transduction sites (focal adhesions) in platelets that were activated on soft polyacrylamide (PAA) substrates, used in kind already for TFM. Here, we fixed platelets and stained platelet components during different stages of activation. By combining these two experimental approaches, we were able to establish connections between characteristics of measured force fields and the (re-)organization of both the platelet cytoskeleton and focal adhesion sites. Our findings have several implications for experimental concepts applied to future force measurements of platelet contraction. In addition, our experiments on PAA have revealed that platelet activation on materials with physiological elasticities proceeds in a slightly different manner than on glass, the traditional choice of substrate. Lastly, our measurements of local forces illustrate specific characteristics of platelet force fields, which will affect future mechanical models of platelet contraction.
Pathogen exposure reduces sexual dimorphism in a host’s upper thermal limits

Abstract The climate is warming at an unprecedented rate, pushing many species toward and beyond the upper temperatures at which they can survive. Global change is also leading to dramatic shifts in the distribution of pathogens. As a result, upper thermal limits and susceptibility to infection should be key determinants of whether populations continue to persist, or instead go extinct. Within a population, however, individuals vary in both their resistance to both heat stress and infection, and their contributions to vital growth rates. No more so is this true than for males and females. Each sex often varies in their response to pathogen exposure, thermal tolerances, and particularly their influence on population growth, owing to the higher parental investment that females typically make in their offspring. To date, the interplay between host sex, infection, and upper thermal limits has been neglected. Here, we explore the response of male and female Daphnia to bacterial infection and static heat stress. We find that female Daphnia, when uninfected, are much more resistant to static heat stress than males, but that infection negates any advantage that females are afforded. We discuss how the capacity of a population to cope with multiple stressors may be underestimated unless both sexes are considered simultaneously.
Development of a Biopolymer by Chemical Modification of β-Cyclodextrin for Pharmaceutical Applications

The need for effective and safe therapeutic systems comply deliverances medication with the patient, led to the development of new tools and strategies. Cyclodextrins (CDs) are widely used as an excipient in many pharmaceutical forms. In this work, the β-cyclodextrin (β-CD) has been modified in order to serve as a vehicle for the design of capsules with diclofenac sodium (DCFNa) is the active ingredient. This modification is based on the crosslinking of the β-cyclodextrin by citric acid in the presence of a catalyst. Modulation parameters of the reaction were carried out by varying the content of the polyacid and used this in order to have the best reaction yield. The resulting matrix of this method was used to prepare the inclusion complexes with the drug. The characterization of these systems is performed by FTIR spectroscopy and XRD. Then, the release of DCFNa (packed in capsules), from native and cross-linked matrices in a simulated gastric and intestinal environment (pH = 1.2, t = 2 h) and (pH = 6.8, t = 6 h), was done. The kinetics of drug were studied and the dissolution profiles for the cross-linked and native β-CD were compared.
Guidance on date marking and related food information: part 1 (date marking)

Abstract A risk‐based approach was developed to be followed by food business operators (FBO) when deciding on the type of date marking (i.e. ‘best before’ date or ‘use by’ date), setting of shelf‐life (i.e. time) and the related information on the label to ensure food safety. The decision on the type of date marking needs to be taken on a product‐by‐product basis, considering the relevant hazards, product characteristics, processing and storage conditions. The hazard identification is food product‐specific and should consider pathogenic microorganisms capable of growing in prepacked temperature‐controlled foods under reasonably foreseeable conditions. The intrinsic (e.g. pH and aw), extrinsic (e.g. temperature and gas atmosphere) and implicit (e.g. interactions with competing background microbiota) factors of the food determine which pathogenic and spoilage microorganisms can grow in the food during storage until consumption. A decision tree was developed to assist FBOs in deciding the type of date marking for a certain food product. When setting the shelf‐life, the FBO needs to consider reasonably foreseeable conditions of distribution, storage and use of the food. Key steps of a case‐by‐case procedure to determine and validate the shelf‐life period are: (i) identification of the relevant pathogenic/spoilage microorganism and its initial level, (ii) characterisation of the factors of the food affecting the growth behaviour and (iii) assessment of the growth behaviour of the pathogenic/spoilage microorganism in the food product during storage until consumption. Due to the variability between food products and consumer habits, it was not appropriate to present indicative time limits for food donated or marketed past the ‘best before’ date. Recommendations were provided relating to training activities and support, using ‘reasonably foreseeable conditions’, collecting time–temperature data during distribution, retail and domestic storage of foods and developing Appropriate Levels of Protection and/or Food Safety Objectives for food–pathogen combinations.
Mepolizumab use in cystic fibrosis‐associated allergic bronchopulmonary aspergillosis

Allergic bronchopulmonary aspergillosis (ABPA) is common in cystic fibrosis (CF). Treatment is challenging and the relapse rate is high. Standard therapy is oral steroids and antifungals. However, long‐term systemic steroid often results in adverse effects and drug interactions between azoles and CFTR modulators are a potential concern. Mepolizumab, an anti‐interleukin (IL)‐5 monoclonal antibody, can benefit patients with severe eosinophilic asthma and there are reports of mepolizumab use in ABPA but not in ABPA complicating CF. We present the case of an adult with CF who had recurrent ABPA and intolerable treatment side effects with steroid, azole, and omalizumab. Mepolizumab was well tolerated and led to significantly improved clinical stability and symptomatic improvement. To our knowledge, this is the first report of successful mepolizumab treatment for ABPA in CF. Mepolizumab may be an important adjunctive treatment for difficult to control ABPA in CF.
Catalysis by Ceria and Related Materials

Mining, production, application and safety issues of cerium-based materials, K. Schermanz structural properties and nonstoichiometric behaviour of CeO2, A. Trovarelli synthesis and modification of ceria-based materials, G. Adachi and T. Masui chemical and nanostructural aspects of the preparation and characterization of ceria and ceria-based mixed oxide-supported metal catalysts, S. Bernal et al studies of ceria-containing catalysts using magnetic resonance and X-ray based spectroscopies, J.C. Conesa et al structural properties and thermal stability of ceria-zirconia and related materials, J. Kaspar and P. Fornasiero oxygen storage/redox capacity and related phenomena on ceria-based catalysts, D. Duprez and C. Descorme computer simulation studies of ceria-based oxides, M. Saiful Islam and G. Balducci ceria surfaces and films for model catalytic studies using surface analysis techniques, S.H. Overbury and D.R. Mullins ceria and other oxygen storage components in automotive catalysts, M. Shelef et al SO2 poisoning of ceria-supported, metal catalysts, R.J. Gorte and T. Luo cerium and platinum based diesel fuel additives in the diesel soot abatement technology, M. Makkee et al fundamentals and applications of ceria in combustion reactions, M. Primet and E. Garbowski ceria-based wet-oxidation catalysts, S. Imamura ceria-based electrodes, M. Mogensen the use of ceria in FCC, dehydrogenation and other catalytic applications, M. Boaro et al.
Assessment of Self-Management Care and Glycated Hemoglobin Levels Among Type 2 Diabetes Mellitus Patients: A Cross-Sectional Study From the Kingdom of Saudi Arabia

The prevalence of type 2 diabetes mellitus (T2DM) is increasing every year, along with its health and economic burden/impact. Achieving glycemic control remains challenging, and only 9-15% of diabetic patients manage to reach the optimal level. A few strategies have been found to improve diabetic control, including self-management care (SMC). This study aimed to explore the relationship between patient characteristics, SMC, and glycated hemoglobin (HbA1c) levels, as an indicator of optimal glycemic control. This was a cross-sectional study of 200 participants conducted at the King Fahd University Hospital (KFUH) in Saudi Arabia. A pre-structured questionnaire including sociodemographic data and aspects of diabetes self-management was distributed among patients at KFUH and the Family and Community Medicine Center (FAMCO) of Imam Abdulrahman Bin Faisal University, Dammam, Kingdom of Saudi Arabia. HbA1c data were extracted from patients' records. Unfortunately, the majority of the participants (65%) were found to have poor glycemic control. Glucose management was better in patients having T2DM for more than five years (mean: 4.01; p<0.05). In addition, an income of less than 5,000 Saudi Riyals (SR) was associated with lower physical activity (mean: 2.95; p<0.05). The level of blood sugar was uncontrolled among the majority of surveyed patients. Our study found variables associated with SMC and HbA1c levels, which might help to guide future initiatives aiming to enhance the care of patients with T2DM.
Assessment of fecal steroid and thyroid hormone metabolites in eastern North Pacific gray whales

An improved understanding of baleen whale hormone physiology is required to manage populations and reduce anthropogenic impacts. Gray whale fecal samples were assessed, and hormone metabolites quantified, which varied by demographic units and years. Two case studies are presented providing reference points for physiologically stressed individuals and adult breeding males.
Surveillance for feline herpesvirus type 1 mutation and development of resistance in cats treated with antiviral medications

Feline herpesvirus type 1 (FHV-1) commonly causes ocular surface disease in cats and is treated with antiviral medications targeting viral DNA polymerase (UL30/42). Herein, we describe a method to assess the FHV-1 genome for mutation development and to assess the functional impact of mutations, if present. Fourteen shelter-housed domestic cats with FHV-1 ocular surface disease were assigned to one of four treatment groups: placebo (n = 3), cidofovir 0.5% ophthalmic solution (n = 3), famciclovir oral solution (n = 5), or ganciclovir 0.15% ophthalmic solution (n = 3). Swabs were collected before (day 1) and after (day 8) 1 week of twice-daily treatments to isolate viable FHV-1. Viral DNA was extracted for sequencing using Illumina MiSeq with subsequent genomic variant detection between paired day 1 and day 8 isolates. Plaque reduction assay was performed on paired isolates demonstrating non-synonymous variants. A total of 171 synonymous and 3 non-synonymous variants were identified in day 8 isolates. No variants were detected in viral UL23, UL30, or UL42 genes. Variant totals were not statistically different in animals receiving antiviral or placebo (p = 0.4997). A day 8 isolate from each antiviral treatment group contained a single non-synonymous variant in ICP4 (transcriptional regulator). These 3 isolates demonstrated no evidence of functional antiviral resistance when IC50 was assessed. Most (10/14 pairs) day 1 and 8 viral isolate pairs from the same host animal were near-identical. While functional variants were not detected in this small sample, these techniques can be replicated to assess FHV-1 isolates suspected of having developed resistance to antiviral medications.
Using recycled water for non-potable, urban uses: a review with particular reference to toilet flushing

This paper summarises the current non-potable, urban use of reclaimed water with particular reference to toilet flushing. It compares water quality standards for reclaimed water, the volumes of water required for toilet flushing and the qualities of greywater and domestic sewage that have previously been used for reuse. Worldwide examples of reuse schemes are presented with particular detail to two key European sites where greywater has been used for toilet flushing, the Millennium Dome in the UK and a residential block of flats in Annecy, France. It was demonstrated that the interest in water reuse is growing steadily, not only in acknowledged water deficient areas, but also in countries which have not historically appeared to have a water supply problem. The latter include Northern European States such as Belgium, France, the UK and Germany, as well as in tourist coastal areas and islands. This situation affords great opportunities for the creation of urban water recycling schemes.
A novel approach for spectrophotometric determination of succinylcholine in pharmaceutical formulation via host–guest complexation with water-soluble p-sulfonatocalixarene

Succinylcholine (SUC) is a quaternary ammonium neuromuscular blocking agent. Direct determination of SUC in bulk drugs and formulations is a challenging analytical task due to the lack of a detectable chromophore and sensitive detection techniques. We have exploited both the strong UV absorbance of p-sulfonatocalix[4]arene (SCX4) and its outstanding complexation properties towards quaternary ammonium compounds to determine SUC. The characteristics of a host–guest complexation between SCX4 and SUC were investigated using UV and 1H NMR spectroscopy. The Job's plot analysis reveals a 1 : 1 stoichiometry of the host–guest complex with a binding affinity Ka of 7.8 × 104 L mol−1. This novel method is based on spectrophotometric measurement of the formed complex peak after resolving the overlap from the host SCX4 spectrum and was used for the quantitation of SUC. The linear range was found to be from 1.0 × 10−5 to 18.0 × 10−5 mol L−1 with a detection limit of 7.3 × 10−6 mol L−1 (2.88 μg mL−1). This method is straightforward and shows high sensitivity. Moreover, it was successfully employed to determine SUC in pharmaceutical formulation. Subsequent statistical analysis of the obtained results and comparison with the official US pharmacopeial benchmark yielded favorable results.
Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations

The impact of quantum decoherence and zero point motion on non-adiabatic transition rates in condensed matter systems is studied in relation to non-adiabatic (NA) molecular dynamics (MD) techniques. Both effects, and decoherence in particular, strongly influence the transition rate, while neither is accounted for by straightforward quantum-classical approaches. Quantum corrections to the quantum-classical results are rigorously introduced based on Kubo’s generating function formulation of Fermi’s Golden rule and the frozen Gaussian approximation for the nuclear wave functions. The development provides a one-to-one correspondence between the decoherence function and the Franck–Condon factor. The decoherence function defined in this paper corrects an error in our previous work [J. Chem. Phys. 104, 5942 (1996)]. The relationship between the short time approach and the real time NA MD is investigated and a specific prescription for incorporating quantum decoherence into NA simulations is given. The proposed s.
Pesticides of Potential Ecological Concern in Sediment from South Florida Canals: An Ecological Risk Prioritization for Aquatic Arthropods

A two-tier ecological risk assessment was conducted for pesticides monitored in sediment at 36 sampling sites in south Florida freshwater canals from 1990–2002. For tier 1, we identified the chemicals of potential ecological concern (COPECs) as DDT, DDD, DDE, chlordane and endosulfan based on their exceedence of sediment quality standards at 20 sites. For 12 sites with data on the fraction of organic carbon in sediments, whole sediment concentrations of COPECs were converted to pore water concentrations based on equilibrium partitioning. In tier 2, a probabilistic risk assessment compared distributions of pore water exposure concentrations of COPECs with effects distributions of freshwater arthropod response data from laboratory toxicity tests. Arthropod effects distributions included benthic and non-benthic arthropod species for chlordane (n = 9), DDD (n = 12), DDE (n = 5), DDT (n = 48), and endosulfan (n = 26). The overlap of predicted pore water concentrations and arthropod effects distributions was used as a measure of risk. DDE was the most frequently detected COPEC in sediment at the 12 sites. Chlordane was present at only one site. The mean 90th centile concentration for pore water exposure was highest for endosulfan and lowest for DDT. The estimated acute 10th centile concentration for effects was highest for chlordane and lowest for DDD. The probability of pore water exposures of COPECs exceeding the estimated 10th centile concentrations for species sensitivity distributions of arthropod acute toxicity data was between 0 and 1%. The estimated NOEC 10th centile concentration from arthropod chronic toxicity distributions was exceeded by the estimated 90th centile concentration for pore water distributions at three sites. Endosulfan had the highest potential chronic risk at S-178 in the C-111 canal system, based on the probability of pore water exposure concentrations exceeding the arthropod estimated chronic NOEC 10th centile at 41%. The COPEC with the next highest probability of exceeding the chronic NOEC 10th centile was DDD at 17.7% and 19.8% in the Everglades Agricultural Area (at S-2 and S-6). DDT had minimal potential chronic risk. Uncertainties in exposure and effects analysis and risk characterization are discussed.
Role of oxygen during CdTe growth for CdTe photovoltaic devices

Polycrystalline CdTe thin films for CdTe solar cell devices are typically grown using physical vapor techniques such as close‐spaced sublimation or vapor transport deposition with, in some cases, a small amount of oxygen in the process gas. In this report, we discuss the results of growing CdTe films in an environment of pure oxygen using close‐space sublimation. The results show that oxygen has a positive impact on CdTe film quality as it increases charge carrier mobility and lifetime in the absorber layer of CdTe‐based devices. This has resulted in a 10–20 mV improvement in open‐circuit voltages when growing the CdTe in pure oxygen. Copyright © 2014 John Wiley & Sons, Ltd.
Stark parameter dependence of the rest core charge of the emitters for multiply charged ions spectral lines

Stark width and shift simultaneous dependence on the upper level ionization potential and rest core charge of the emitter has been evaluated and discussed. It has been verified that the found relations, connecting Stark broadening parameters with upper level ionization potential and rest core charge of the emitters for particular electron temperature and density, can be used for prediction of Stark line width and shift data in case of ions for which observed data, or more detailed calculations, are not yet available. Stark widths and shifts published data are used to demonstrate the existence of other kinds of regularities within similar spectra of different elements and their ionization stages. The emphasis is on the Stark parameter dependence on the upper level ionization potential and on the rest core charge for the lines from similar spectra of multiply charged ions. The found relations connecting Stark widths and shift parameters with upper level ionization potential, rest core charge and electron te.
High quality β-FeOOH nanostructures constructed by a biomolecule-assisted hydrothermal approach and their pH-responsive drug delivery behaviors

β-FeOOH nanostructures with diverse well-defined morphologies such as urchin-like, bowknot-like and bamboo leaf-like structures have been obtained by controlled synthesis by a facile gelatin-assisted hydrothermal approach. The as-obtained β-FeOOH nanostructures presented promising pH-controlled anti-cancer drug delivery behaviors and low cytotoxicity and high cellular biocompatibility features.
Homogeneous nucleation and growth of silicon powder from laser heated gas phase reactants

Nucleation and growth behavior of fine silicon powders synthesized from the thermal decomposition of laser heated silane gas was examined. At sufficiently high temperatures, gas phase decomposition occurs. Due to the high degree of supersaturation, the critical size of the nucleus is extremely small, resulting in a nucleation rate which is not thermodynamically limited but dependent on the concentration of vapor phase silicon atoms and the collision frequency between atoms. HeNe light scattering/extinction measurements showed that nucleation occured at the beginning of the reaction zone then ceased. The observed nucleation rate (> 1014 nuclei/cm 3 sec) is in good agreement with the rate calculated from the classical theory of Volmer and Weber. After nucleation, particle growth occured by the accretion of silicon bearing vapor species with the growth limited by the rate at which the gaseous molecules arrive at the particle surface. The nature of the growth process resulted in a narrow distribution of particle sizes. The final particle size was limited by the depletion of the reactant gas and not the elapsed growth time at elevated temperatures. Particle agglomeration did not occur within the reaction zone but occurred as the particles travelled to the microfibrous collection filter or as they were collected. The particle characteristics fulfill many of the requirements for an ideal sinterable powder. The particles are fine (< 150 nlm), nearly monodispersed, of high purity, and loosely agglomerated. The agglomerates can be broken up by the proper dispersion techniques.
Predissociative T1 and S1 states of carbonyl chlorofluoride (ClFCO) and their photodissociation pathways

The low-lying electronic states of carbonyl chlorofluoride (ClFCO) were studied using the coupled-cluster singles and doubles (CCSD) method. Highly reliable values for not only the geometrical parameters, but also the vibrational properties were generated for T1 and S1 as well as S0. Potential energy surfaces (PESs) of the dissociation of the three bonds were also obtained for each electronic state separately. We found that the T1 and S1 states are both vibrationally predissociative along the C–Cl bond dissociation channel, with barrier heights of only 0.13 and 0.23 eV, respectively. The relative energies for the S1 state of the barriers to C–Cl and C–F bond dissociation are 4.93 and 6.13 eV, respectively, with respect to S0. These results suggest that a simple C–Cl bond dissociation pathway can explain the results of a previous photodissociation experiment with 235 nm (5.276 eV) light, in which only ‘Cl + FCO’ fragments were observed.