Miracle-dz/UniFAR-FTUs huggingface dataset:
VBD-NLP at BioLaySumm Task 1: Explicit and Implicit Key Information Selection for Lay Summarization on Biomedical Long Documents

We describe our systems participated in the BioLaySumm 2023 Task 1, which aims at automatically generating lay summaries of scientific articles in a simplified way so that its content becomes easier to comprehend for non-expert readers. Our approaches are based on selecting key information by both explicit and implicit strategies. For explicit selection strategies, we conduct extractive summarization based on selecting key sentences for training abstractive summarization models. For implicit selection strategies, we utilize a method based on a factorized energy-based model, which is able to extract important information from long documents to generate summaries and achieve promising results. We build our systems using sequence-to-sequence models, which enable us to leverage powerful and biomedical domain pre-trained language models and apply different strategies to generate lay summaries from long documents. We conducted various experiments to carefully investigate the effects of different aspects of this long-document summarization task such as extracting different document lengths and utilizing different pre-trained language models. We achieve the third rank in the shared task (and the second rank excluding the baseline submission of the organizers).
PRISMA model for computer-aided HPLC mobile phase optimization based on an automatic peak indentification approach

Abstract The tripartite “PRISMA” optimization model, as part of the “PRISMA” system, includes all possible solvent combinations between 1–4 solvents, with a possible fifth one as modifier. The solvent composition is characterized by the solvent strength (ST) and the selectivity points (PS). At a constant ST the correlation between the PS and the retention data (horizontal function) can be described by a quadratic function. For constant PS the solvent strengths and retention data correlate (vertical function) with a logarithmic function. These correlations are used to formulate a mathematical model for the dependence of retention times (capacity factor) on the mobile phase composition. Unknown compounds are estimated in the mathematical model from a sequence of standard chromatograms after having identified individual peaks by an automatic procedure. Only retention times, relative peak areas, and information about the mobile phase compositions are required as input for the identification approach. The appr.
SEM Study of the Corrosion Products of Galvanized Reinforcements Immersed in Solutions in the pH Range 12·6 to 13·6

AbstractIn previous work on galvanized reinforcements in contact with Ca-containing highly alkaline media the authors have reported the existence of a threshold pH below which the Zn in contact with such a medium is passivated, but at pH values above this it corrodes continuously until it totally disappears. In this paper, after a brief literature review concerning the identification of the corrosion products in these media, they report that the passivation detectedfrom the data of the polarisation technique agreed with the results of an SEM study. This showed that below the threshold pH value the surface is covered with a continuous layer of calcium hydr.oxyzinccite, Ca (Zn(OH)3)2.2H2O, and above this pH this layer is increasingly composed ofnon-passivating ZnO, to the detriment of the calcium hydroxyzincate content. They have also established that it is the (Ca2+) ions that control the amount of calcium hydroxyzincate formed, and therefore the likelihood of the formation of a continuous passivating laye.
Effects of Low-Molecular-Weight Organic Acids on Soil Micropores and Implication for Organic Contaminant Availability

Experiments were conducted to study the effects of low-molecular-weight organic acids (LMWOAs) on micropore properties of black soil, red soil, lignin, and humin. Black soil and red soil were treated with four LMWOAs including malic, citric, succinic, and tartaric acids, whereas lignin and humin were treated with malic and citric acids. The results indicated that soil micropore distribution was changed by LMWOAs. Citric and malic acids reduced soil micropore surface area and volume significantly, but lignin micropores were not changed significantly by these two acids. Therefore, clogging may not be a main reason for the surface area and micropore volume reduction of soil organic matter. The release of metal ions from humin and soils was enhanced by LMWOAs, indicating the dissolution of soil mineral particles. Therefore, soil micropore reduction may result from the destruction of soil aggregates due to dissolution of mineral particles and extraction of metals from bridging sites.
Ion Adsorption Parameters Determined from Zeta Potential and Titration Data for a y-Alumina Nanofiltration Membrane

Theoretical models for the prediction of nanofiltration separation performance as a function of, e.g., pH and electrolyte composition require knowledge on the ion-surface adsorption chemistry. Adsorption parameters have been extracted from electrophoretic mobility measurements on a ceramic y-alumina anofiltration membrane material in aqueous solutions of NaCl, Na2SO4, and CaCl2, and literature potentiometric titration data on y-alumina. Various adsorption reaction models and descriptions of the electrostatic double layer have been tested. The adsorption parameters are obtained using a 1-pK triplelayer model. The zeta potential data indicate that on this c-alumina NaCl acts as an indifferent electrolyte, resulting in an isoelectric point of pH)8.3. The data can be accurately described with the 1-pK triple-layer model. Furthermore, the surface charge model predictions are in good agreement with literature titration data for this 1:1 electrolyte. Strong adsorption of Ca2+ ions leads to positive zeta potentials over the entire concentration and pH range studied. The model is capable of fitting the potential data reasonably well. Strong adsorption of sulfate ions causes a shift of the isoelectric point to lower pH values. For a bulk concentration of 100 mol/m3 Na2SO4 only negative zeta potentials are observed.
Perfume-Containing Polyurea Microcapsules with Undetectable Levels of Free Isocyanates

Core-shell polyurea microcapsules with a 40% fragrance load were prepared by interfacial polymerization of guanidine and a technical polyisocyanate prepolymer containing mainly the biuret trimer derived from hexamethylene di-isocyanate (HDI). Residual free polyisocyanates were still present at a level slightly above 100 mg NCO functional group per kg as determined by liquid chromatography hyphenated with tandem mass spectrometry of HDI and of its biuret trimer. This level was decreased by a factor of about 10 when the polymerization process was allowed to proceed for a longer time and by a factor of about 500 when guanidine or NaOH were added to the microcapsule suspension to act as scavengers. In these cases, polyisocyanate conversion was observed to proceed for about one month when the microcapsules were stored at room temperature before reaching a plateau at a level below 1 mg NCO/kg. Overall, ammonia was the most efficient polyisocyanate scavenger as no residual HDI biuret trimer and only less than 2 μg NCO/kg as HDI were detected at the end of the process, a level which had dropped below the limit of detection of 0.25 μg NCO/kg after about 40 days of aging at room temperature. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009
Which configuration is more stable for La2@C80, D3d or D2h? Recomputation with ZORA methods within ADF

Geometry optimization and frequency analysis were performed for a La2@C80 molecule using the Amsterdam density functional (ADF) package. The relativistic effects are taken into account by the zero-order regular approximation (ZORA) basis sets. Interestingly, we found that the D2h configuration is the global minimum in total energy, being about 1 kcal/mol lower than the D3d configuration, which has been recently considered to be the most stable by Shimotani et al. On the basis of calculations, a new La2 pair motion scenario is proposed, in which the two La ions passing through saddle-point C2h, travel between equivalent D2h configurations. The motion of these La ions forms a pentagonal-dodecahedral path just like the pattern of La2 MEM charge density in the Ih C80 cage. In addition, the calculated Raman spectrum on low-frequency metal-cage vibrations is also in good agreement with the experimental results.
Control of crystal orientation in soft nanostructures by nanoimprint lithography

Nanoimprint lithography (NIL) is a low-cost and high resolution technique consisting of replicating the nanofeatures of a hard mold by pressing it into a film of a soft material, in order to create nanostructures of virtually any shape. When NIL is applied to materials capable to self-organize, it may also control their crystallographic orientation and morphology provided imprinting conditions are appropriately selected. The principles governing this ordering involve a decreased nucleation probability in the nanostructures, graphoepitaxial alignment, rheological chain alignment, nanoconfinement in the cavities of the mold, and the effect of pressure on the microstructure of soft materials. The ordering can be rationalized based on the knowledge of the structure of the material and more specifically on the notion of basic structural element of the material. The control over the internal structure of nanomolded materials afforded by NIL translates into improved performance of soft functional nanodevices, as is demonstrated in this highlight.
Evaluation of Symptoms in Cases of Otitis Media - A Clinical Study

Background: Otitis media (OM) is a group of inflammatory diseases of the middle ear. The present study was conducted to assess the cases of Otitis media. Subjects and Methods: The present study was conducted on 112 patients of OM of both genders. The case history and general physical examination was performed. General symptoms and types of OM were evaluated. Results: Out of 112 patients, males were 52 and females were 60. Acute OM was seen in 30 males and 32 females and chronic OM was seen in 22 males and 28 females. Common symptoms were cold seen in 68, retro-auricular pain in 17, fever in 80, hearing impairment in 52, ear discharge in 72, tinnitus in 8, vertigo in 45 and facial asymmetry in 26. Conclusion: Authors suggested that Otitis media is a common ear problem. They observed higher female prevalence than males.
Drying of Low-Rank Coals: A Review of Fluidized Bed Technologies

The high moisture content of low-rank coals is a matter of concern in many areas, creating high transportation costs, potential safety hazards in transportation and storage, and the low thermal efficiency obtained in conversion processes. It is important to reduce this moisture content to acceptable limits in order to decrease energy losses, transportation costs, and to increase product quality. Drying characteristics, chemical structure change, and energy consumption of low-rank coals as well as the affecting factors are discussed. This article represents a review of conventional fluidized bed drying technologies and additional field-assisted fluidized bed drying technologies, such as microwave, vibration, agitation, and acoustic field. Relative merits and limitations of the various additional fluidized bed drying technologies and the current state of their development are presented. Some of the unresolved problems are identified and directions for further research are suggested.
Tannins and Related Compounds. LVIII. Novel Gallotannins Possessing an α-Glucose Core from Nuphar japonicum DC.

Together with 6-O-and 2, 3, 4, 6-tetra-O-galloylglucoses, two unusual gallotannins possessing an α-glucopyranose core have been isolated from the rhizomes of Nuphar japonicum DC. (Nymphaeaceae), and their structures have been established as 1, 2, 4-tri-O-galloyl-α-D-glucose (3) and 1, 2, 3, 4, 6-penta-O-galloyl-α-D-glucose (6) on the basis of chemical and spectroscopic evidence.
Gate tunneling currents in ultrathin oxide metal–oxide–silicon transistors

Carrier tunneling through ultrathin (1–3 nm) SiO2 layers in MOS (metal–oxide–silicon) structures is investigated using the Bardeen–Harrison transition probability method. Quantum mechanical wave function matching at the two abrupt potential boundaries of a trapezoidal Si/SiO2/Si barrier gives an electric-field dependent preexponential factor in the Wentzel–Kramers–Brillouin tunneling probability, which significantly affects the current–voltage characteristic at low fields. An analytical theory is employed to predict the relative importance of three elastic tunneling pathways (electrons, valence electrons, and holes) and two geometrical tunneling locations (channel region and source or drain overlap regions) in MOS transistors (MOSTs), showing (1) hole tunneling dominant in p+gate pMOST (p-channel MOST) at low gate voltages, and (2) overlap regions dominant prior to base-region inversion in both p+gate pMOST and n+gate nMOST (n-channel MOST). The analytic theory is used to analyze the experimental tunnelin.
Trivalent Chromium Ion Removal from Aqueous Solutions Using Low-Cost Zeolitic Materials Obtained from Exhausted FCC Catalysts

The hydrothermal treatment of exhausted FCC catalysts with zeolite was optimized by varying the chemical composition of the synthesis mixture. The zeolitic products obtained were used to evaluate their ability for the capture of Cr(III) cations from aqueous solutions. It was shown that the zeolitic product materials were capable of reducing the Cr(III) ion concentration to values lower than 1.2 ppm. The chromium ion-containing solids were afterwards solidified in cement mortars on which leaching studies of this cation were made. The results obtained showed that the synthesized solids acted as effective Cr(III) ion immobilizers and that their inclusion as additives in cement formulations could provide an environmental friendly disposal procedure.
Rare earth fluoride nano-/microcrystals: synthesis, surface modification and application

This feature article highlights the recent advances on the chemical synthesis, surface modification and applications of rare earth fluoride nano-/microcrysals. In the past decade, great progress in the size and shape control of rare earth fluoride nano-/microcrystals has been made by developing solution phase-based methods such as thermal decomposition, hydro(solvo)thermal reaction, hydrothermal in situ conversion route, and ionic liquids-based synthesis. The main challenge of fluoride nanocrystals for biological applications is that it is hard to obtain ideal nanocrystals with smaller size (sub-50 nm), higher luminescence yield, better dispersity and stability in aqueous solvents, and superior biocompatibility. In order to overcome these shortcomings, a series of strategies of surface modification have been outlined in this review. Finally, we introduce the application of rare earth fluorides, with special emphasis on β-NaY(Gd)F4 : Yb3+, Er3+ upconversion nanopaticles (UCNPs) in biomedical applications including biological labels, multimodal bioimaging, photodynamic therapy and drug delivery.
Structural Control in Enzymatic Oxidative Polymerization of Phenols with Varying the Solvent and Substituent Nature

Control of the coupling selectivity (regioselectivity) in the horseradish peroxidase-catalyzed oxidative polymerization of 4-substituted phenols has been achieved by changing the hydrophobic parameters of the monomer substituent and organic solvent (π and logP, respectively), yielding soluble polyphenols with a different ratio of phenylene/oxyphenylene units.
Optical Constants of the Eu Chalcogenides Above and Below the Magnetic Ordering Temperatures

The optical constants of the Eu chalcogenides between 1 and 6 eV have been obtained by means of a reflection technique for single crystals and transmission measurements for evaporated thin films. The films have been cooled below the magnetic transition temperature and the transmission was measured with linearly and circularly polarized light in external magnetic fields. In addition the Faraday effect of thin films in the energy range of 1 to 3.5 eV has been observed. Below the Curie point the lowest energy absorption peak is split into three polarization‐dependent maxima and the absorption peak between 4 and 5 eV into a doublet. The data suggest transitions from the localized 4f7 states into the spin‐split states, respectively, 4f6(7FJ)5d(t2g and 4f6(7FJ)5d(eg). The specific Faraday rotation of EuS at 2.2 eV is 550 000°/cm, the largest rotation yet observed for a nonmetallic compound.
High-throughput chronological lifespan screening of the fission yeast deletion library using barcode sequencing

Ageing is associated with the development of several chronic illnesses, including cardiovascular diseases, diabetes and cancer. To understand the genetic components driving cellular ageing in higher organisms, like ourselves, we study simple eukaryotic model systems which are more accessible and easier to manipulate than higher eukaryotes. This is possible due to the remarkably conserved ageing mechanisms that occurs between species. Here, we employ fission yeast one of the simplest eukaryotic model organisms to study cellular ageing. In this work, we decoded the fission yeast deletion collection using our in-house developed pipeline, developed an improved version of Bar-seq along with a custom-developed analysis pipeline, determined a method for high-quality RNA extraction and RNA-seq from long-term quiescent yeast cells, and finally, performed a high-throughput Bar-seq screen to profile the chronological lifespan of our decoded strains. We describe barcode decoding of 94% of the gene deletions; validation of our Bar-seq developed method; identification of ncRNAs as elements important for the cellular quiescence maintenance; Bar-seq screening of the competitively grown decoded strains which identified several long-lived and short-lived mutants following glucose-starvation and cellular culture re-growth; and also, validation of the top hits using isogenic cell cultures revealing eight novel gene deletions important for the early life maintenance, as well as ten novel gene deletion mutants with pro-ageing effects. Overall, in addition to providing rich datasets, we describe several high-throughput methods that can be used for future genome-wide studies, whereby the complementarity of genomics and transcriptomics can be coupled together to further advance our understanding of the genetic factors underpinning cellular ageing in humans.
Selection, identification, and application of dual DNA aptamers against Shigella sonnei

Shigella sonnei is a highly contagious and harmful pathogenic type of entero bacteria that is a significant threat to public health around the world. In this study, aptamers with improved affinity and specificity were screened through twelve selection rounds based on whole-bacterium systematic evolution of ligands by exponential enrichment (SELEX). After cloning and sequencing, thirty sequences were obtained and nine aptamers were selected for affinity and specificity assays. According to the flow cytometric assessment, the dissociation constant (Kd) values for specific binding of the aptamers Sp1 and Sp20 to S. sonnei were 5.980 ± 0.835 nM and 14.32 ± 2.19 nM, respectively. A sensitive sandwich detection method using the dual aptamers Sp1 and Sp20 was developed to recognize S. sonnei. This method achieved a detection limit of 30 cfu mL−1. This study demonstrates that the selected dual aptamers have potential application for S. sonnei detection.
Fabrication of Cu2ZnSnS4 thin films by co-evaporation

Cu2ZnSnS4 (CZTS) thin films were fabricated by co-evaporation of elemental sources on quartz glass substrates. The deposition was performed at the substrate temperature between 400 oC and 600 oC. From the results of electron probe microanalysis, it was confirmed that the nearly stoichiometric CZTS thin films were obtained in all substrate temperature. The X-ray diffraction patterns revealed that CZTS thin films have a kesterite structure with a strong preferred orientation. From the scanning electron microscope observation, the grain size becomes larger with increasing the substrate temperature. The CZTS thin films showed p -type conductivity. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Phonon spectroscopy in π-conjugated polymers: the role of the excited electronic states

The Raman active vibrational modes in (pi) -conjugated polymers are known to have different frequencies in different types of experiments. The best known examples are the resonant Raman scattering (RRS) and doping or photoinduced absorption infrared active vibrations (IRAV) measurements, in which the same modes appear at different energies. Other examples are the phonon side bands, accompanying the polarons, bipolarons, and solitons absorption bands, in which the same modes give rise to different side band energies. In this work we discuss RRS and IRAV measurements and correlate their experimentally observed frequencies with the relevant electronic state that is active in this type of experiment. We show that the IRAV frequencies are lower than those of RRS since the relevant energy levels of charged solitons and/or polarons are closer to the ground state than the optically allowed 1Bu state of the neutral polymer. Thus a new insight into the meaning of the `pinning' potential, which is associated with the lowest frequency IRAV mode is obtained.
The quantum resonance spectrum of the H3+ molecular ion for J = 0. An accurate calculation using filter diagonalization

Three-dimensional variational calculations of bound and resonance spectra of the H 3 + molecular ion for the total angular momentum J = 0 are presented. All N E + N A1 + N A2 = 2 × 604 + 358 + 256 bound states of the MBB PES and some N E + N A1 + N A2 = 2 × 264 + 142 + 119 resonances with widths Γ < 100 cm −1 are computed. Such calculations are very challenging due to (i) a very deep potential-energy well which gives rise to a high density of bound and resonance states and (ii) the floppiness of the H 3 + molecular ion which leads to various numerical difficulties. The computation was done using the filter diagonalization method. Here a series of subspace diagonalizations is performed on a Hamiltonian with a complex absorbing potential, Ĥ − iŴ, represented in a relatively small adapted basis set. Each small basis set is obtained by acting with the ABC (absorbing boundary conditions) Green's function on an initial wavepacket, using the modified by ABC Chebyshev recursion polynomial expansion. The method is described in some detail. Additionally, we describe an efficient and simple procedure of using Jacobi coordinate DVR (discrete variable representation) for a floppy triatomic molecule resulting in a sparse Hamiltonian matrix with a small spectral range, which in particular, overcomes the slow convergence of iterative Krylov type methods. Comparison between the present version of the filter diagonalization and the Lanczos method is made. The level statistics of the H 3 + bound and resonance states are analysed showing the strongly chaotic nature of the spectra, starting already at very moderate energies, caused by the extreme floppiness of the system. The widths of computed resonances fluctuate by orders of magnitude. At energies just above the dissociation threshold the resonances are essentially very narrow and isolated, but start to overlap very quickly as energy increases. The number of resonance states per effective decay channel is sufficient to carry out a statistical analysis of decay rates by fitting their distribution to the χ 2 distribution with ν eff degrees of freedom, where ν eff is the effective number of decay channels. The result of this analysis is however negative, suggesting that the concept of average width on which it is partially based is not correct when resonances are overlapping, and that more reliable statistical theories of the effective Hamiltonian must be developed for the barrierless reactions.