Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation and optimization of PET-guided SPECT reconstructions for improved radionuclide therapy dosimetry estimates

Aims To investigate and optimize the SPECTRE (Single Photon Emission Computed Theranostic REconstruction) reconstruction approach, using the hybrid kernelized expectation maximization (HKEM) algorithm implemented in the software for tomographic image reconstruction (STIR) software library, and to demonstrate the feasibility of performing algorithm exploration and optimization in 2D. Optimal SPECTRE parameters were investigated for the purpose of improving SPECT-based radionuclide therapy (RNT) dosimetry estimates. Methods Using the NEMA IEC body phantom as the test object, SPECT data were simulated to model an early and late imaging time point following a typical therapeutic dose of 8 GBq of 177Lu. A theranostic 68Ga PET-prior was simulated for the SPECTRE reconstructions. The HKEM algorithm parameter space was investigated for SPECT-unique and PET-SPECT mutual features to characterize optimal SPECTRE parameters for the simulated data. Mean and maximum bias, coefficient of variation (COV %), recovery, SNR and root-mean-square error (RMSE) were used to facilitate comparisons between SPECTRE reconstructions and OSEM reconstructions with resolution modelling (OSEM_RM). 2D reconstructions were compared to those performed in 3D in order to evaluate the utility of accelerated algorithm optimization in 2D. Segmentation accuracy was evaluated using a 42% fixed threshold (FT) on the 3D reconstructed data. Results SPECTRE parameters that demonstrated improved image quality and quantitative accuracy were determined through investigation of the HKEM algorithm parameter space. OSEM_RM and SPECTRE reconstructions performed in 2D & 3D were qualitatively and quantitatively similar, with SPECTRE showing an average reduction in background COV % by a factor of 2.7 and 3.3 for the 2D case and 3D case respectively. The 42% FT analysis produced an average % volume difference from ground truth of 158% and 26%, for the OSEM_RM and SPECTRE reconstructions, respectively. Conclusions The SPECTRE reconstruction approach demonstrates significant potential for improved SPECT image quality, leading to more accurate RNT dosimetry estimates when conventional segmentation methods are used. Exploration and optimization of SPECTRE benefited from both fast reconstruction times afforded by first considering the 2D case. This is the first in-depth exploration of the SPECTRE reconstruction approach, and as such, it reveals several insights for reconstructing SPECT data using PET side-information.
Environmental reporting in the hydropower sector: analysis of EMAS registered hydropower companies in Italy

Hydropower (HP) is a key source of renewable energy, but also poses significant environmental challenges, including habitat fragmentation, hydropeaking and perturbations of flow and sediment regime. This study analyzed how Italian companies managing HP plants, and registered to the European Eco-Management and Audit Scheme (EMAS) in 2022, evaluated their sustainability and publicly disclosed related data. The analysis was based on the environmental statements (ESs) of 206 hydropower plants (29% of Italian HP production in 2019). The applied methodology involved an inventory of the plants and their categorization about technical features and the reporting of technical, environmental, and social aspects. The results of the analysis revealed that the companies rarely described the environmental state of the site, even less frequently adopting quantitative indicators. “Soil contamination”, “biodiversity”, “waste production”, “risk of environmental accidents”, “water pollution and flow management”, and “noise emissions” were the aspects considered most significant. No correlation was found among the significance of an aspect, the number of indicators used to describe the associated impacts, and the number of objectives set for reducing those impacts. “Biodiversity” was mostly described through irrelevant indicators (i.e., total site area) and 76% of the allocated budget was assigned to technical aspects without a clear connection with any environmental improvement. In particular, the specific impacts on the aquatic ecosystems were scarcely reported, mitigation measures were rarely mentioned and with few details. In conclusion, the results of the study highlight the need for specific guidelines, directed to the HP sector, for effectively reporting the environmental performances and the effectiveness of the adopted Environmental Management Systems, while providing valuable information to policymakers and researchers.
Behavior of Inorganic Elements in Poultry Manure during Supercritical Water Gasification

Poultry manure can be completely gasified in supercritical water. In this paper, the behavior of the seven inorganic elements, N, Ca, K, P, S, Cl and Si in layer poutlry manure during supercritical water gasification has been studied to analyze the potential of the by-products of poultry manure gasification for recycling. The inorganic elements in the starting poultry manure, and in the solid and liquid phases after reaction, were quantitatively analyzed. Furthermore, the experimental data were confirmed with thermodynamic equilibrium calculations using computer software. Following gasification the elements N, K and Cl partitioned almost completely into the liquid phase, Ca, P and Si partitioned almost completely into the solid phase, and S partitioned between both phases.
Application of Denaturing HPLC for Detection of G/C Polymorphism in the Cyclo-Oxygenase-2 Gene

Abstract Denaturing high performance liquid chromatography (DHPLC) is a fast and sensitive method to detect gene mutations. The aim of this study was to examine whether DHPLC is an appropriate method to detect a G/C transversion in the promoter region of human cyclo-oxygenase-2 gene. A fragment of 228 bp was amplified from 336 subjects for DHPLC analysis. Results were confirmed by restriction endonuclease analysis. Considering that detection of G/C transversion is quite challenging by DHPLC, the specificity was high (94,3%). Nonetheless, resolution significantly decreased after 400 samples, while it should be possible to analyze 1000 samples per column. According to our findings, DHPLC is not the most adequate method to detect G/C transversion in the gene because of the relatively rapid loss of column resolution. This should be kept in mind when genomic DNA is screened for unknown mutations.
Surface‐initiated atom transfer radical polymerization of regenerated cellulose membranes with thermo‐responsive properties

Using atom transfer radical polymerization (ATRP), thermo-responsive regenerated cellulose membranes were synthesized. Regenerated cellulose membranes were firstly modified by reacting the hydroxyl groups on the surface with 2-bromoisobutyryl bromide, followed by grafting with poly(N-isopropylacrylamide). The membranes had obvious thermally modulated permeability properties. Analysis was carried out by means of X-ray photoelectron spectroscopy, attenuated total reflection Fourier transform infrared spectroscopy, scanning electron microscopy and thermogravimetric analysis. The results showed that N-isopropylacrylamide had been grafted successfully on the surface of the regenerated cellulose membranes. The thermally modulated permeability properties of the grafted membranes were studied using water flux measurements. It was found that the thermally modulated permeability properties of a cellulose surface can be tailored by the use of the ATRP method. Copyright © 2010 Society of Chemical Industry
A novel high‐speed nanometric electron beam lithography system: EB–F

An advanced nanometric electron beam lithography system EB–F has been developed for high‐speed writing applications beyond the laboratory. The EB–F achieves a minimum beam diameter of 30 nm with a beam current of 3 nA, a deflection field of 2×2 mm. A triple deflection system was developed to achieve the stepping rate of 100 MHz. This system consists of a magnetic main deflector, an electrostatic subdeflector and an electrostatic fill‐in deflector. The maximum size of the fill‐in field is 2×2 μm, with a minimum positioning step of 10 nm. An electron gun using a new Ti–W thermal field emitter was also adopted. The gun has high brightness of 108 A/cm2/sr and long term stability. The EB–F has two writing modes. They are the high resolution mode with 30 nm at 3 nA and the fast writing mode with 90 nm at 27 nA. They are selected by switching condenser lenses. Acceleration voltages of 20 and 50 kV can also be selected. These new technologies achieve a greater than hundredfold increase in writing speed. A chip co.
Extraction of pure lycopene from industrial tomato by‐products in water using a new high‐pressure process

BACKGROUND: Lycopene, a precursor of β-carotene with a well-known antioxidant activity, contained in many natural products such as tomato (Lycopersicon esculentum Mill.), watermelon, red pepper and papaya, is usually recovered from natural vegetal sources using organic solvents and a purification step. In this paper an innovative process for the extraction of pure lycopene from tomato waste in water that uses the Naviglio® extractor and water as extracting phase is presented. RESULTS: Lycopene was obtained in the all-trans form at a very high grade of purity, not less than 98% (w/w), with an average recovery of 14% (w/w). The availability of high-purity trans-lycopene allowed measurement of the molar absorption coefficient. An alternative procedure for high-performance liquid chromatographic analysis using a phenyl-hexyl silicone phase as inverse phase and a linear gradient in water and acetonitrile is also described. CONCLUSIONS: The use of water as extracting phase considerably reduces the cost of the entire process when compared with the commonly used solvent-based procedure or with the newer supercritical extraction process of lycopene from tomato waste. Lycopene, not soluble in water, was recovered in a quasi-crystalline solid form and purified by solid-phase extraction using a small amount of organic solvent. Copyright © 2008 Society of Chemical Industry This article was published online on September 15, 2008. Errors in Figures 2-4 were subsequently identified. The publishers wish to apologise for these errors. This notice is included in the online and print versions to indicate that both have been corrected [September 19, 2008]
Management orientations between buying and target firms : an investigation of text-mining

The current study tries to reveal that whether management orientations (MO) and its combinations do matter in M&A performances. Text mining-based approach is used to classify firm’s MO into four clusters, by using psychological approach. As performance variables, short-and long-term CAR (Cumulative Abnormal Return) and ⊿ EBITDA ratio were employed. As a result, several type of MO combinations seems to affect M&A performances, even though statistical significance was not robust. Both term CARs tend to perform better when same MO firms are combined, this type of M&A is called homogeneous M&A. On the other hand, ⊿ EBITDA ratio tends to perform better when different MO firms are combined, this is called heterogeneous M&A. This contradiction might be caused by the longer duration for integrating firms and generating its synergy effects. Among homogeneous M&A events including the four MO combinations, stock markets tend to react more favorably when both are shareholder-oriented firms than other homogeneous M&A events. Further research should be conducted at this point, but this result implies that shareholders have valuated M&A events through biased perception. other cultural factors studies view point in practicality terms. studies concept are address several limitations what the author mentioned to in the paper such as sample size, valid long-term performance measures, and categories on M&A event.
Kinetics of the thermal dissociation of ZnO exposed to concentrated solar irradiation using a solar‐driven thermogravimeter in the 1800–2100 K range

The two-step H2O-splitting thermochemical cycle based on the Zn/ZnO redox reactions is considered for solar H2 production, comprising the endothermal dissociation of ZnO followed by the exothermal hydrolysis of Zn. A solar-driven thermogravimeter, in which a packed-bed of ZnO particles is directly exposed to concentrated solar radiation at a peak solar concentration ratio of 2400 suns while its weight loss is continuously monitored, was applied to measure the thermal dissociation rate in a set-up closely approximating the heat and mass transfer characteristics of solar reactors. Isothermal thermogravimetric runs were performed in the range 1834–2109 K and fitted to a zero-order Arrhenius rate law with apparent activation energy 361 ± 53 kJ mol−1 K−1 and frequency factor 14.03 × 106 ± 2.73 × 106 kg m−2 s−1. Application of L‘vov’s kinetic expression for solid decomposition along with a convective mass transport correlation yielded kinetic parameters in close agreement with those derived from experimental data. © 2009 American Institute of Chemical Engineers AIChE J, 2009
Photosynthesis of the rice plant under water stress

Abstract Leaf-resistance values sharply decreased after sunrise, remained low during daytime, and increased sharply toward sunset. This general pattern was modified by weather conditions and soil-water stress. On a cloudy day, leaf resistance remained low (3-5 s/cm) during daytime regardless of the soil-water regime. No increase in leaf resistance equivalent to “midday closure of stomates” was observed under flooded conditions on a sunny day. Under water stress and on a sunny day, leaf resistance began to increase in the morning or afternoon, depending on the degree of water stress. Both the light intensity at which the leaf photosyn-thetic rate reached light-saturation and the maximum value of the photosynthetic rate became lower as water stress became more severe. A simulation model revealed that crop photosynthesis was almost identical (17-18 g·m-2·day-l) for both water-stressed and well-watered crops on a cloudy day when solar radiation was 200 cal·cm-2day-l. On a sunny day, when solar radiation was 6.
Anionic metal–organic and cationic organic layer alternation in the coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (M = Co, Ni, and Zn; BTEC = 1,2,4,5-benzenetetracarboxylate)

New coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (BTEC = 1,2,4,5-benzenetetracarboxylate) (M = Co 1; Ni 2; Zn 3) have been synthesized starting from the respective transition metal salts, 1,2,4,5-benzenetetracarboxylic acid and piperazine hexahydrate. The highly-crystalline compounds, which are insoluble in water as well as common organic solvents, have been characterized in the solid-state with the aid of elemental analysis, IR and diffuse reflectance UV-visible spectroscopy, and TGA/DTA measurements. The molecular structures of all the compounds have been determined in the solid-state by X-ray diffraction studies; all the three compounds are isomorphous and crystallize in centerosymmetric triclinic space group. The molecular structures are made up of extensively hydrogen-bonded alternating layers of anionic {M(BTEC)(OH2)4}n coordination polymer and piperazinium dications. The extended structure formed in the solid-state due to extensive inter-layer O–H⋯O and N–H⋯O hydrogen bonds incorporate four water molecules per unit cell. The water molecules present in the polymeric network can be easily removed at fairly low temperatures. Heating 1 or 2 to approximately 60–70 °C in a vacuum (0.1 mmHg) for 12 h results in the elimination of three water molecules as evidenced by elemental analysis. Similar results were obtained from the thermogravimetric studies. The dehydration process is accompanied by a colour change in the case of compounds 1 and 2. Exposure of the dehydrated sample to ammonia results in the uptake of three equivalents of ammonia molecules. However, the methane gas adsorption studies carried out on dehydrated sample did not show the presence of a porous structure.
Ab initio study of the π–π interactions between CO2 and benzene, pyridine, and pyrrole

The π–π interactions between CO2 and three aromatic molecules, namely benzene (C6H6), pyridine (C5H5N), and pyrrole (C4H5N), which represent common functional groups in metal-organic/zeoliticimidazolate framework materials, were characterized using high-level ab initio methods. The coupled-cluster with single and double excitations and perturbative treatment of triple excitations (CCSD(T)) method with a complete basis set (CBS) was used to calibrate Hartree–Fock, density functional theory, and second-order M⊘ller–Plesset (MP2) with resolution of the identity approximation calculations. Results at the MP2/def2-QZVPP level showed the smallest deviations (only about 1 kJ/mol) compared with those at the CCSD(T)/CBS level of theory. The strength of π–π binding energies (BEs) followed the order C4H5N > C6H6 ∼ C5H5N and was roughly correlated with the aromaticity and the charge transfer between CO2 and aromatic molecule in clusters. Compared with hydrogen-bond or electron donor–acceptor interactions observed during BE calculations at the MP2/def2-QZVPP level of theory, π–π interactions significantly contribute to the total interactions between CO2 and aromatic molecules. © 2013 Wiley Periodicals, Inc.
Synthesis and characterization of nanosized polypyrrole–polystyrene composite particles

Nanosized polypyrrole–polystyrene (PPy–PS) composite particles were synthesized by the polymerization of pyrrole on PS nanoparticles in the presence of FeCl3. The PS nanoparticles were prepared from microemulsion polymerizations using the cationic nonpolymerizable surfactant cetyltrimethylammonium bromide (CTAB), the nonionic polymerizable surfactant ω-methoxy[poly(ethylene oxide)40]undecyl α-methacrylate (PEO–R–MA-40), or the cationic polymerizable surfactant ω-acryloyloxyundecyltrimethylammonium bromide (AUTMAB). For the latexes stabilized by CTAB, the resulting PPy–PS composite particles exhibited relatively poor colloidal stability and the pressed pellets exhibited relatively low electrical conductivities (∼10−7–10−3 S cm−1). However, for the latexes stabilized by polymerizable surfactants, the resulting PPy–PS composite particles exhibited relatively good colloidal stability and relatively high conductivities (∼10−5–10−1 S cm−1). The effect of polymerizable surfactants on the colloidal stability of composite particles and the conducting mechanism of the composites are discussed. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 91: 1360–1367, 2004
Non-local exchange correlation functionals impact on the structural, electronic and optical properties of III–V arsenides

Exchange correlation (XC) energy functionals play a vital role in the efficiency of density functional theory (DFT) calculations, more soundly in the calculation of fundamental electronic energy bandgap. In the present DFT study of III-arsenides, we investigate the implications of XC-energy functional and corresponding potential on the structural, electronic and optical properties of XAs (X = B, Al, Ga, In). Firstly we report and discuss the optimized structural lattice parameters and the band gap calculations performed within different non-local XC functionals as implemented in the DFT-packages: WIEN2k, CASTEP and SIESTA. These packages are representative of the available code in ab initio studies. We employed the LDA, GGA-PBE, GGA-WC and mBJ-LDA using WIEN2k. In CASTEP, we employed the hybrid functional, sX-LDA. Furthermore LDA, GGA-PBE and meta-GGA were employed using SIESTA code. Our results point to GGA-WC as a more appropriate approximation for the calculations of structural parameters. However our electronic bandstructure calculations at the level of mBJ-LDA potential show considerable improvements over the other XC functionals, even the sX-LDA hybrid functional. We report also the optical properties within mBJ potential, which show a nice agreement with the experimental measurements in addition to other theoretical results.
Molecular dynamics simulation of nonsteroidal antiinflammatory drugs, naproxen and relafen, in a lipid bilayer membrane

Naproxen and relafen, as nonsteroidal antiinflammatory drugs, were simulated in neutral and charged forms and their effects on a lipid bilayer membrane were investigated by molecular dynamics simulation using Groningen machine for chemical simulations software (GROMACS). Simulation of 10 systems was performed, which included different dosages of the drug molecules, naproxen and Relafen, in charged and neutral forms, and a mixture of naproxen and Relafen in neutral forms. The effects of the mixture and the individual drugs' dosages on membrane properties, such as electrostatic potential, order parameter, diffusion coefficients, and hydrogen bond formation, were analyzed. Hydration of the drugs in the membrane system was investigated using radial distribution function analysis. Using fully hydrated dimyristoylphosphatidylcholine (DMPC) as a reference system, 128 lipid molecules and water molecules were simulated exclusively, and the same simulation technique was performed on 10 other systems, including drug mixtures and a DMPC membrane. Angular distributions of lipid chains of the membrane were calculated, and the effects of the drug insertion and chain orientation in the membrane were evaluated. © 2013 Wiley Periodicals, Inc.
The Shape Transition of Gold Nanorods

We report a revised synthetic procedure based on an electrochemical method for preparing an aqueous solution containing suspended Au nanorods. The mean aspect ratios of the Au nanorods can be experimentally adjusted between 1 and 7. The evolution of the longitudinal surface plasmon bands shows an eminently sensitive dependence on the aspect ratios of the nanorods. Their dependence is accordingly described by classical-electrostatic-model predictions. The shape transition of the nanorod particles has been studied by varying some key influencing factors such as the wavelength, the laser fluence, and matrix effects. The nanorods were exposed to laser lines at 532 and 1064 nm, frequencies which correspond closely to the short- and long-axis plasmon resonances, respectively. A photon-induced shape transition process was evidenced, and the corresponding rod-to-sphere conversion contributed by a photoannealing process was observed in both cases. Meanwhile, we observed a new type of “φ-shaped” Au nanostructure in.
Detection of metastable triplet acetylene produced by intersystem crossing from the excited Ã(1Au) state

Triplet metastable species produced by intersystem crossing from the A(1Au) state of acetylene has been detected by the sensitized phosphorescence method. A sensitized phosphorescence signal was observed from vibronic levels lying lower than the potential energy barrier for dissociation in the a state suggested previously, but was not observed from levels higher than this barrier. The lifetimes of triplet states produced by intersystem crossing from the V3K1(J′=2) and V4K1(J′=2) levels were estimated to be 100 and 80 μs.
Epoxy curing reaction studied by using two‐dimensional correlation infrared and near‐infrared spectroscopy

The isothermal curing process of bisphenol A epoxy resin with polyamine reagent (1,6-diaminohexane) was monitored in situ by using temperature-controlled Fourier-transform infrared (FTIR) and Fourier-transform near infrared (FTNIR) spectroscopy to elucidate the relative changes in functional groups during the curing reaction. It was shown that generalized two-dimensional correlation spectroscopy can provide new information about the mechanisms and kinetics of the curing process, and the band assignments for complex NIR spectrum associated with this system. The sequential order of relative changes in functional groups during the curing process was examined by generalized 2D correlation spectroscopy and NIR-IR hetero-correlation spectroscopy, and the details of the complex epoxy curing reaction involving both primary and secondary amino group were revealed. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011