Miracle-dz/UniFAR-FTUs huggingface dataset:
Analytical chemistry in the field of cultural heritage

This review covers past and present developments of analytical chemistry in the field of Cultural Heritage (CH), from the methods of characterization of materials to the procedures aiming at diagnosing the state of conservation of CH assets. A large number of analytical methodologies and tools (molecular and elemental spectroscopic techniques, chemometrics, chemical reactivity and modeling, etc.) are now available to define: (a) the impacts of environmental stressors (natural and anthropogenic), (b) the decaying (chemical reactions) pathways of such materials in the surrounding environment, (c) the development of new remediation (cleaning, consolidation, rehabilitation, etc.) processes based on the chemical knowledge and (d) the transfer of such knowledge to conservation departments in museums and companies working in the field of CH. Two important issues are highlighted in this review. One is the important role of analytical chemistry in this field, although its role was forgotten until a few decades ago; nowadays there are hundreds of papers demonstrating the important role of analytical chemistry practitioners in many kinds of CH actions. The other is the societal impact of the issues related to the study of heritage (i.e., rock art paintings, Pompeii, paintings in medieval churches, famous artists, etc.) where analytical chemists are key professionals especially if portable instruments are used in field work. Finally a special consideration will be paid to future developments and how analytical chemistry can give added value to the research in CH.
β-cyclodextrin enhanced triboelectrification for self-powered phenol detection and electrochemical degradation

We report a unique route that creatively harnessed β-cyclodextrin enhanced triboelectrification for self-powered phenol detection as well as electrochemical degradation. A detection sensitivity of 0.01 μM−1 was demonstrated in the sensing range of 10 μM to 100 μM. In addition, β-cyclodextrin enhanced triboelectrification was designed to harvest kinetic impact energy from wastewater waves to electrochemically degrade the phenol in a self-powered manner without using an external power source.
Mitochondrial injury caused by reactive oxygen species generation under high fluence low-power laser irradiation treatment

Mitochondrial injury, characterized by its depolarization, is a key to cell apoptosis. High fluence low-power laser irradiation (HF-LPLI) through endogenous photosensitive reactions can cause mitochondrial injury. However, the exact mechanisms are not fully understood. Using fluorescent image techniques, we investigated cell apoptosis caused by mitochondrial photosensitization by HF-LPLI. Our results showed that the major step of the apoptosis, decrease of mitochondrial transmembrane potential (ΔΨm), occurred accompanying with high levels of mitochondrial reactive oxygen species (ROS) generation, indicating mitochondrial injury caused by ROS. Scavenging the photodynamical ROS completely prevented mitochondrial depolarization supported the view. Taken together, we demonstrated that HF-LPLI caused mitochondrial injury through a large amount of mitochondrial ROS generation. The specific mechanisms need to be further studied.
Large-time behavior of matured population in an age-structured model

In this paper, we model a mosquito plasticity problem and investigate the large time behavior of matured population under different control strategies. We prove that when the control is small, then the matured population will become large for large time and when the control is large, then the matured population will become small for large time. In the intermediate case, we derive a time-delayed model for the matured population which can be governed by a sub-equation and a super-equation. We prove the existence of traveling fronts for the sub-equation and use it to prove that the matured population will finally be between the positive states of the sub-equation and super-equation. At last, we present numerical simulations.
Infrared study of CO on NiO(100)

The nature of the interaction of CO with NiO(100) thin films (∼20–50 A) grown on a Mo(100) substrate has been investigated with infrared reflection absorption spectroscopy. Isosteric heats of adsorption were measured for CO in a pressure range of 1×10−8 to 1 Torr and over a temperature range of 93–280 K. The average heat of adsorption was found to be approximately 10.4 kcal/mol, with the heat of adsorption decreasing slightly with increasing CO coverage. This value for the heat of adsorption agrees very well with that measured for CO on MgO(100). The CO stretching frequency was found to decrease with an increase in the CO coverage. At constant coverage, the CO stretching frequency as well as the full width at half‐maximum were found to increase with increasing temperature. These results are discussed in the context of current theories of bonding between CO and oxide surfaces.
Detection of halide ions with AlGaN∕GaN high electron mobility transistors

AlGaN∕GaN high electron mobility transistors (HEMTs) both with and without a Au gate are found to exhibit significant changes in channel conductance upon exposing the gate region to various halide ions. The polar nature of the halide ions leads to a change of surface charge in the gate region on the HEMT, producing a change in the surface potential at the semiconductor∕liquid interface. HEMTs with a Au-gate electrode not only doubled the sensitivity of changing the channel conductance as compared to gateless HEMT, but also showed the opposite conductance behavior. When anions adsorbed on the Au, they produced a counter charge for electrovalence. These anions drag some counter ions from the bulk solution or create an image positive charge on the metal for the required neutrality. The gateless HEMTs can be used as sensors for a range of chemicals through appropriate modification with covalently bonded halide functional groups on the Au surface. This creates many possibilities to functionalize the surface fo.
Genetic Algorithms and Their Applications in Environmental Sciences

The genetic algorithm is an optimization tool that mimics natural selection and genetics. The parameters to be optimized are the genes, which are strung together in an array called a chromosome. A population of chromosomes is created and evaluated by the cost function, with the “most fit” chromosomes being kept in the population while the “least fit” ones are discarded. The chromosomes are then paired so they can mate, involving combining portions of each chromosome to produce new chromosomes. Random mutations are imposed. The new chromosomes are evaluated by the cost function and the process iterates. Thus the parameter space is explored by a combination of combining parts of the best solutions as well as extending the search through mutations. The trade-offs involved in selecting population size, mutation rate, and mate selection are briefly discussed below.
Optimization of Gluten‐Free Bread Prepared from Cornstarch, Rice Flour, and Cassava Starch

: The proportions of cornstarch, cassava starch, and rice flour were optimized for production of gluten-free bread (with 0% and 0.5% soy flour) to maximize specific volume (Y1,Y1′), crumb-grain score (Y2,Y2′), and bread score (Y3,Y3′). A central composite design involving cornstarch/cassava starch ratio (X1) and rice flour/cassava starch ratio (X2) was used, and 2nd-order models for Y1 and Y1′ were employed to generate response surfaces. The maxima of response surfaces for crumb-grain score and bread score indicate that optimal gluten-free bread can be prepared from 74.2% cornstarch, 17.2% rice flour, and 8.6% cassava starch. Addition of soy flour at the 0.5% level also improved bread texture.
A Temperature-Responsive Copolymer Hydrogel in Controlled Drug Delivery

A novel optical transition for a hydrogel of polyacrylamide and poly(acrylic acid) random copolymer was observed. The poly(acrylamide-co-acrylic acid) hydrogel is opaque white at low temperature, while it will become transparent gradually or sharply on a fast or slow increase of temperature. Meanwhile, the hydrogel can swell or collapse with changing temperature. Both optical transition and volume swelling are reversible responding to temperature stimuli. The FT-IR, laser Raman, and 1H NMR spectroscopy demonstrated the driving force of optical and volume transition: formation and dissociation of hydrogen bonds in the hydrogel. The heterogeneity of the network results in these reversible transition responding to temperature stimuli. The effects of monomer, initiator, and cross-linker on the optical transition of the hydrogel were studied in detail. The formation and dissociation of hydrogen bonds in the limited domain of the hydrogel is related to the network structure. Because of the property of swelling.
Structure of electric double layers: A simple weighted density functional approach

A simple weighted density functional approach is developed for inhomogeneous ionic fluids and applied to the structure of the electric double layer using the restricted primitive model where the ions are considered to be charged hard spheres of equal diameter. The formalism is nonperturbative with both hard-sphere and electrical contributions to the one-particle correlation function evaluated through a suitably averaged weighted density, the only input being the second-order direct correlation functions of the corresponding uniform system. The approach is designed in such a way, that the calculation of the weight function is decoupled from the weighted density. Numerical results on the ionic density profile and the mean electrostatic potential near a hard wall at several surface charge densities are shown to compare well with available simulation results. The corresponding results for the nonprimitive molecular solvent model provide insight into the layering effect and the charge inversion phenomena.
Parallelizing of macro-scale pseudo-particle modeling for particle-fluid systems

A parallel algorithm suitable for simulating multi-sized particle systems and multiphase fluid systems is proposed based on macro-scale pseudo-particle modeling (MaPPM). The algorithm employs space-decomposition of the computational load among the processing elements (PEs) and multi-level cell-subdivision technique for particle indexing. In this algorithm, a 2D gas-solid system is simulated with the temporal variations of drags on solids, inter-phase slip velocities and solids concentration elaborately monitored. Analysis of the results shows that the algorithm is of good parallel efficiency and scalability, demonstrating the unique advantage of MaPPM in simulating complex flows.
Cobalt(II) Schiff Base/Large Mesoporous Carbon Composite Film Modified Electrode as Electrochemical Biosensor for Hydrogen Peroxide and Glucose

A simple method was developed to prepare a cobalt(II) Schiff base (Co(salen))/large mesoporous carbon (LMC) composite film. The structure and electrocatalytic performance of the Co(salen)/LMC film were investigated by scanning electron microscopy (SEM) and cyclic voltammetry (CV). The Co(salen)/LMC film exhibits high electrocatalytic activity toward H2O2, such as low detection limit (8.5×10−7 M) and wide linear concentration range (2.0×10−6–8.9×10−3 M). Furthermore, glucose oxidase (GOD) was self-assembled on the surface of the Co(salen)/LMC film modified electrode. Determination of glucose in human blood serum with satisfying result was investigated by the resulting biosensor.
Strontium Modification of Biomaterial: The Effective Approach to Enhance the Bioactivity and Biocompatibility of Calcium Silicate

Calcium silicate (CS), the recent developed biodegradable ceramic, shows potential in stimulating bone regeneration. However, the rapid degradation restricts its further application, that is, the cytotoxicity is highly suspicious. In this study, the attempt with the addition of strontium by partially replacing the site of calcium shows appropriate, not only enhancing the bioactivity of CS, but also promoting its biocompatibility. Thus, the modification of biomaterial by strontium seems to be an effective approach for biological application.
Improving rotational isomeric state theory for application to mechanical properties prediction

Rotational isomeric state (RIS) theory has long been used to predict mechanical response trends in polymeric materials based on the polymer chain conformation it addresses. Successful adaptation of this methodology to the prediction of elastic moduli would provide a powerful tool for guiding ionomer fabrication. Recently, a multiscale modeling approach to the material stiffness prediction of ionic polymer has been developed. It applies traditional RIS theory in combination with a Monte Carlo methodology to develop a simulation model for polymer chain conformation on a nanoscopic level. A large number of end-to-end chain lengths are generated from this model and are then used to estimate the probability density function which is used as an input parameter to enhance existing energetics-based macroscale models of ionic polymer for material stiffness prediction. This work improves this Mark-Curro Monte Carlo methodology by adapting the RIS theory in a way to overcome early terminations of polymer chain while simulating the conformation of polymer chains and thus obtains more realistic values of chain length. One solvated Nafion® case is considered. The probability density function for chain length is estimated with the most appropriate Johnson family method applied. The stiffness prediction is considered as a function of total molecular weight.
ThermoML-An XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 2. Uncertainties

ThermoML is an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. The basic principles, scope, and description of all structural elements of ThermoML are discussed. ThermoML covers essentially all experimentally determined thermodynamic and transport property data (more than 120 properties) for pure compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium). The primary focus at present is molecular compounds. Although the focus of ThermoML is properties determined by direct experimental measurement, ThermoML does cover key derived property data such as azeotropic properties, Henry's Law constants, virial coefficients (for pure compounds and mixtures), activities and activity coefficients, fugacities and fugacity coefficients, and standard properties derived from high-precision adiabatic heat-capacity calorimetry. The role of ThermoML in global data submission and dissemination is.
Preparative-Scale Separation of Anticancer Triterpenes from Eucalyptus hybrid by Centrifugal Partition Chromatography

Centrifugal partition chromatography was successfully applied in the separation of close R f complex anticancer triterpenes directly from a fraction of Eucalyptus hybrid (Myrtaceae). The experiment was performed with a two-phase solvent system composed of hexane/ethyl acetate/methanol/water (1:2:1.5:1 v/v/v) where 2% ammonia solution was added in lower aqueous mobile phase to achieve pH 9.5. From 1.5 g of a fraction, 145 mg of ursolic acid and 72 mg of ursolic acid lactone were obtained in 95.4% and 94.8% purities. The total yield recovery was >94% and the isolated triterpenes were characterized on the basis of their 1H, 13C-NMR, and ESI-MS data.
Acquisition feasibility and methane fermentation effectiveness of biomass of microalgae occurring in eutrophicated aquifers on the example of the Vistula Lagoon

ABSTRACT This study was aimed at establishing the feasibility of microalgae biomass acquisition from waters of the Vistula Lagoon with the use of an installation operating in the fractional–technical scale, and at determining the effectiveness of biogas production from the acquired substrate. Depending on the technological solution of the concentration process, the degree of aquatic biomass hydration ranged from 99.6 to 97.90%. The quantity of biogas produced during methane fermentation fitted within the range of 243.9 to 395.2 dm3/kg d.m. The values achieved were found to depend directly on the concentration of organic matter in the acquired water biomass and on system’s loading with a feedstock of organic compounds. The content of methane in a gaseous mixture ranged from 41.4 to 61.9%. The biomass produced was predominated by taxa belonging to Cyanoprokaryota, Bacillarophyceae, and Chlorophyta.
Cationic Polybenzoxazines. A Novel Polyelectrolyte Class with Adjustable Solubility and Unique Hydrogen-Bonding Capabilities

This article fuses the world of benzoxazine chemistry with the field of polyelectrolyte chemistry and introduces a new approach toward water-soluble polybenzoxazines. The synthesis of a novel class of polybenzoxazine-based polyelectrolytes carrying cationic charges in the side chain and/or the backbone is described. Tertiary nitrogen atoms of the backbone or side chain have been methylated in a polymer analogous reaction leading to cationic polybenzoxazines with structure dependent, adjustable solubility in various solvents including water providing unique hydrogen-bonding capabilities. The polymers have been investigated by 13C NMR, SEC, TGA, and DSC.
An Integrated Nitric Oxide Sensor Based on Carbon Fiber Coated with Selective Membranes

In vivo measurement of nitric oxide (NO) in a biological matrix is very difficult because of its assumed low stability and fugacity, in addition to the complexity of such matrix, limited space and volume of biological samples. Among different NO detection strategies, electrochemical NO sensors are still widely used by NO researchers. Though many kinds of NO sensors are commercial available from World Precision Instruments, Inc. and other companies, the small NO sensors still are needed for the NO detection, especially in single cell levels. In this article a NO-selective ultramicrosensor was developed as an easily applicable tool for real time nitric oxide (NO) detection. The sensor consists of a 7 µm carbon fiber working electrode coated with cation exchanger (Nafion), then covered with NO-selective gas permeable polymeric membranes, and Ag/AgCl micro-reference/counter electrode. Compared with other reported NO sensors, the sensor described herein offers several advantages: i) high selectivity against ascorbate (>104:1), dopamine (>103:1) and nitrite (104:1); ii) detection limit to low nanomolar concentration; iii) rapid, inexpensive and reproducible fabrication; iv) wide linear calibration range from 10 nM to 5 µM with R2=0.995; v) integrated ultramicrosensor eliminating the need of an external reference electrode, accordingly, experiments in small volume are possible with an integrated ultramicrosensor, even at single cell levels.
Impact of winemaking practices on the concentration and composition of tannins in red wine

This review summarises key findings from research on the impact of winemaking practices on the concentration and composition of tannins in red wines. The impact from the point of crushing onwards is summarised from our research and recent literature taking into account the effect of maceration, yeast selection, addition of mannoproteins, addition of oenotannins, fining by animal and plant proteins, filtration, oxygen exposure, barrel treatment, bottling and accelerated-ageing techniques. A sufficient body of evidence has developed in certain areas to make generalisations, but in several other areas tannins continue to show large variability of response to winemaking interventions depending on the grapes and their particular methods of treatment. Progress has been made in determining the underpinning mechanisms for some of the effects, but significant further research is required to understand why many of the effects occur. Knowledge gaps remaining in the area and proposals for future research are identified that will provide the opportunity for improved management of vineyards and winemaking to optimise tannins in grapes and wine, and for increased capacity to meet wine specification, consumer expectations and profitability.
Microgel particles: The structure‐property relationships and their biomedical applications

Microgels are crosslinked soft particles with a three-dimensional network structure that are swollen in a good solvent. They have frequently been termed “smart materials” since the size, softness, and interaction forces between particles are tunable by external stimuli such as temperature, pH, or magnetic and electric fields. It is this unique feature that has captured the interest of many scientists across a wide range of disciplines. This brief review covers the basic aspects of the relationships between the network structure and gel properties of the thermally sensitive poly(N-isopropylacrylamide) (pNIPAM) microgels including the phase transition process, the internal structure of microgels, and the phase behavior. Additionally, we highlight the impacts of microgels on the biomedical applications, especially in the gene delivery, cell matrix and differentiation of stem cells. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 2995–3003
Thermodynamic Model of the System H+−NH4+−Na+−SO42-−NO3-−Cl-−H2O at 298.15 K

A multicomponent mole-fraction-based thermodynamic model of the H+−NH4+−Na+−SO42-−NO3-−Cl-−H2O system is used to represent aqueous-phase activities, equilibrium partial pressures (of H2O, HNO3, HCl, and NH3), and saturation with respect to 19 solid phases ((NH4)2SO4(cr), (NH4)3H(SO4)2(cr), NH4HSO4(cr), NH4NO3(cr), NH4Cl(cr), Na2SO4·10H2O(cr), Na2SO4(cr), Na3H(SO4)2(cr), NaHSO4·H2O(cr), NaHSO4(cr), NaH3(SO4)2·H2O(cr), NaNO3(cr), NaCl(cr), NH4HSO4·NH4NO3(cr), (NH4)2SO4·2NH4NO3(cr), (NH4)2SO4·3NH4NO3(cr), (NH4)2SO4·Na2SO4·4H2O(cr), Na2SO4·NaNO3·H2O(cr), 2NaNO3·NH4NO3(cr)). The model is valid for concentrations from infinite dilution to saturation (with respect to the solid phases) and to about 40 mol kg-1 for acid sulfate systems which can remain liquid to concentrations approaching the pure acid. Parameters for H2SO4−H2O interactions were adopted from a previous study, and values for other binary (water−electrolyte) and ternary (water and three ions) interactions were determined from extensive literature da.