dataesr/scientific-paragraphs-categorization huggingface dataset:
Data availability, treatment and analyzes All the are available on GitHub  [27] , the obtained for the H. ostrearia samples are available on the NCBI database under the BioProject PRJNA873049  [28]. The quality of the obtained reads were viewed by fastqc 0. 11. 8 and multiqc 1. 7  [29, 30]. To remove the primers still present in the data, the rst 9 bases of each sequence were deleted by cutadapt 4. 0. Pairs with a read that didn't meet a Q quality criterion of more than 20 were also removed during this process: cutadapt -u 9 -U 9 -m 250 -q 20 --pair-lter = both --trim-n  [31]. In order to recover the whole amplicons, the ltered reads were then assembled using the Matam software (Apr2020) with its default settings  [32]. The sequences used thereafter came from the generated scaffolds le, except for the mock community samples where the non redundant contigs le was picked.
Qiime2 2021. 2. 0 and the SILVA 16S database 138 Ref NR 99 were then utilized for the taxonomic identi cation  [33, 34]. The only setting changed in the Qiime2 protocole was the selectionned feature classi er: classify-consensus-blast. To calculate the mean depth associated with each sequence, the rst step was to align the ltered reads on the contigs/scaffolds with bwa-mem2 in default mode  [35]. Secondly, the depth at each position of each sequence was then acquired with samtools depth 1. 10 in default mode  [36]. In the end, the mean was calculated and added to the Qiime2 results with a homemade script using python 3. 8. 10 and panda 1. 4. 1  [37, 38]. To compare the bacterial population between the samples, a Khi² test was performed using the function chisq. test() from the R package stats version 3.
5 mg) was added followed by an excess of NEt3 dissolved in MeOH. The resulting green solution was mixed for 3 hours. It was then filtered and left to evaporate at room temperature. After 24 hours single green crystals suitable for X-ray Diffraction were formed on the surface of the solution. Physical measurements. IR spectra were recorded on Perkin Elmer spectrum two spectrometer in the 4000 -400 cm -1 range with the samples as KBr pellets. UV-vis measures were recorded on JENWAY 7300 spectrometer. Crystallography. X-ray diffraction data of the single crystal were collected at 150 K on an APEXII Bruker-AXS diffractometer equipped with a CCD-LDI-APEX2 detector using a radiation type Mo-Kα (λ = 0. 71073 Å ). The structure was solved by a dual-space algorithm using the SHELXT program  [36] , and further refined by full-matrix least-squares methods based on F 2 using SHELXL  [37].
Acknowledgements This work was supported through industry-academia collaboration projects,  VtR Inc-CGU ,  R. O. C. , project grant ( SCRPD1L0221 ),  DOXABIO-CGU ,  R. O. C. , project grant ( SCRPD1K0131 ), and also the  CGU  project grant ( UZRPD1L0011 ,  UZRPD1M0081 ).
Characterization of the electrospun mats The morphology of the polymer fibers with microspheres was examined using digital microscope (Keyence, VHX-7000) and SEMthe samples were coated with 10 nm thick gold layer for it. The microspheres in the mats were counted and their quantity N was determined as microspheres/mm 2. The diameters of 100-200 randomly selected fibers on a set of approximately 5-6 images for each condition were measured using the microscope software and their average values d were calculated. The statistical analysis of the obtained data was performed by determining the standard deviation from the mean value (SD) and the coefficient of variation (VC), which is represented as a percentage of the ratio of SD to the mean diameter (d). The degradation of the UV-cross-linked fibrous mats was investigated.
The mechanical properties of the fibrous mats were tested using Zwick Roell ProLine tensile testing machine (Germany) with a solid fixturetensile strength and elongation at break were measured. Mats were carefully peeled off from the aluminum collector surface and cut into 50 × 10 mm strips with the thickness about 0. 3 mm. The speed of tensile testing was 0. 2 mm/s. Five specimens were tested for each sample type. The mean values of mechanical parameters were determined as well as the statistical analysis of the obtained data was conducted, including the determination of the standard deviation (SD) and the coefficient of variation (VC) expressed as a percentage ratio of SD to the mean value. The measurement setup is shown in Fig. SI1  (supporting information). Microsoft Excel, OriginPro and GraphPad Prism software were used to perform all calculations and analyses as well as to plot the graphs.
7-3. 5 mL (V 0 ) of deionized water, the volume did not change during the experiment. Absorbance measurements were made every 2 min for the first 2 h, every 10 min for the next 1 h, every 30 min for the next 2 h, and after 6, 7 and 24 h after starting the experiment. The mean value of absorbance was determined based on a series of three experiments per case. The rhodamine release profiles were plotted on graphs. The transport properties of the tested mats towards rhodamine were investigated. They can be described with a linear function fitted to the plotted experimental points in the first stage of the substance release. The linear fitting in OriginPro software gave the equation of the line describing each case y = αx, where α defines the slope of the line and thus the substance release rate.
(  1 ) can be supplemented with the mass conservation Eq. (  2 ): d(V 0 C + V C C S ) dt = 0 (2) where V c (cm 3 ) -the volume of fibers. After solving Eq. (  1 ) in this case, the change in the marker concentration in the surrounding solution is described by the Eq. (  3 )  [42] : C = C eq ( 1 -e -hA ( 1 V 0 + 1 Vc ) •t ) (3) where: C eq (mg/mL) -equilibrium marker concentration, t (min) -time (independent variable). Mathematical modeling of the process of rhodamine release from fibrous mats containing microspheres was performed with OriginPro software. The curves were fitted to the data using the exponential fit with the BoxLucas1 mathematical model available in the program library which is described by Eq. (  4 ): y = a • ( 1 -e -bx ) (4) where: a, b -Origin model equation coefficients and xindependent variable.
After the comparison of the power exponents in Eqs. (  3 ) and (4), the following relationship is obtained: -hA ( 1 V 0 + 1 V c ) • t = -b • x (5) Finally, after solving the Eq. (  5 ), assuming that x = t (variable), the expression for the coefficient h is as follows: h = b A ( 1 V0 + 1 Vc ) (6) In order to determine the coefficient h, the values of b, A, V 0 and V C must be determined. Value of parameter b was generated by the OriginPro software using BoxLucas1 mathematical model described by Eq. (  4 ). An example of fitting the exponential model curve to the experimental results in the form of a graph with data generated by the software is shown in Fig. SI2A , while the geometric interpretation of model parameters a and b in Fig. SI2B  (supporting information). The graphical interpretation of the h coefficient (associated with the parameter b) is the first derivative of the BoxLucas1 function, while the value of the parameter a corresponds to the equilibrium concentration C eq determined by the software.
Acknowledgments This project was supported by  European Social Fund  [ POWR. 03. 02. 00-00-1028/17-00 ] as part of the  POWER Och!Dok program. AM would like to thank  Campus France  for the funding through a  French Government Scholarship. Authors acknowledge the financial support of project  H2020-MSCA-RISE-2017 , " Novel 1D photonic metal oxide nanostructures for early stage cancer detection " (Project number:  778157 ).
In the framework of the EU R2CA project the available experimental databases were reviewed to support nuclear power plant safety analyses in SGTR and LOCA domains. The review focused on the phenomena related to fuel failure, fission products release from the fuel rods and activity transport up to the environment. Furthermore, it was shown that the phenomena were covered by different scale facilities and different experimental procedures for several reactor designs and materials. Among the tests several separate effect tests and integral tests are listed and some NPP measurements were also included. It was concluded that the reviewed database, which includes more than forty experimental programmes and measurement series can be considered as a reliable basis to support the development and validation of numerical models for SGTR and LOCA safety analyses.
Introduction The safety analyses of the nuclear power plants (NPP) generally includes the numerical simulation of loss-of-coolant accident (LOCA) and steam generator tube rupture (SGTR) scenarios in design basis accident (DBA) and design extension conditions (DEC). Both scenarios could result in the release of radioactive fission products. For this reason, their environmental impact must be evaluated. In order to carry out reliable prediction of the consequences of NPP incidents and accidents, the numerical tools must have high fidelity models, which are developed considering measured data and which are validated against experiments covering wide range of representative parameters. The European Union (EU) Reduction of Radiological Consequences of design basis and extension Accidents (R2CA) project targets at the development of harmonized methodologies, development of innovative management approach and application of safety devices for the evaluation and for the reduction of the consequences of DBA and DEC-A events in operating and foreseen nuclear power plants in Europe.
, 2018). In the present review it was intended to cover both LOCA and SGTR scenarios without covering those experimental programs which focused on severe core damage falling in DEC-B category. The review also focused on the inclusion of the most recent experimental programs with new data on the related phenomena. The authors considered experimental programs from national and international projects as well as information from the open literature. In most of the cases, some R2CA partners were involved in these test series or participated in the evaluation of the data. This paper reviews the LOCA and SGTR experimental databases from the point of view of phenomena covered by the experiments (Section 2. ), characterisation of test conditions (Section 3. ) and utilisation of measured data (Section 4.
In some cases, the samples were precharged with hydrogen or pre-oxidised in steam. The effects of temperature increase and pressurisation rates were also investigated in isobar and isothermal test series. 1409 data points were collected from the above listed experimental series and were selected by IRSN for the definition of burst criteria in numerical models. The measured pressure difference on the cladding wall is shown in different colours corresponding to the scale on the right hand side of Fig. 1. From the measured data the engineering stress associated with clad burst was derived, which shows a strong decrease with the increase of temperature. In the traditional burst tests pressure and temperature histories are measured and the final deformation of the ballooned tubes are determined.
These experimental results together with the regulatory limits on peak cladding temperature (PCT) and equivalent cladding reacted (ECR) values could serve as the basis for the prediction of brittle fuel failure. The bundle tests data can be used for the estimation of blockage formation due to ballooning in the bundle, too. The fragmentation and dispersal observed in the Halden LOCA tests raised important questions on the mechanism and potential consequences fissionable material release into the primary circuit. The fragmentation phenomena were observed also in separate effect tests with irradiated fuel (ANL burst tests, Studsvik LOCA tests) and in a number of earlier in-pile tests (PBF, FR-2, LOFT LP-FP, ACRR  (Gasser et al. , 1997) , FLASH). These tests indicated that after cladding failure, beyond the release of fission products, the dispersal of small fuel fragments may happen.
Activity release from fuel during LOCA After loss of cladding integrity radioactive fission products are released from the damaged fuel rod. The basic part of gap activity in the gas volume of the fuel rod is produced during normal operation as release/migration from fuel pellets. The data from Halden FGR tests  (Volkov et al. , 2014)  are widely used for the model development on fission gas release under operational conditions. During LOCA event the released activity is higher than gap activity. It was observed in the FLASH and LOFT LP-FP integral tests and also in the OECD-IAEA Paks Fuel Project. This additional activity release must be taken into account in the safety analyses. In the HEVA  (Iglesias et al. , 1999)  GASPARD  (Pontillon et al. , 2004) , VERDON  (Gallais-During et al. , 2017) , VERCORS  (Ducros et al.
, 1999). The chemical reactions with fission products may also affect the release kinetics. Very high temperatures were reached in most of the FP release tests, which are not representative for LOCA conditions. However, the first phases of the tests with moderate pellet temperature provided very valuable data for modelling of the release of gaseous, volatile and semivolatile fission products. The FLASH experiments simulated in-reactor fuel behaviour during a LOCA accidental sequence and indicated the importance of fuel burnup on fission product release. In the ACRR tests time-resolved data were obtained on fission product release from irradiated fuel rods under severe accident conditions. The LOFT LP-FP experiments contributed significantly to the knowledge base of fission product release during loss-of-coolant accidents and indicated high fission product release during core reflood in some scenarios.
During the SGTR events the power and pressure changes generate the iodine spiking effect. This transient activity release was observed in the DEFECT, DEFEX and CRL tests. There are some data on the iodine spiking phenomena from VVER  (Smiesko et al. , 2005; Hózer, 2014)  and PWR  (Adams and Atwood, 1991)  nuclear power plants, which could be used to simulate activity release from defective fuel rods in SGTR events (Fig. 2. ). The data points for 1970 s and 1980 s were published on US PWR reactors, while the data after 1998 are originated from VVER units. The 191 points in the figure indicate a decreasing trend in coolant activity concentrations, which was probably a common result of the introduction of lower activity concentration limits and of the decreasing number of defective Halden LOCA tests  Hózer et al.
Detailed information on the failed fuel geometry may be also required for some models. For this reason, some additional measurements were taken using sophisticated tomography techniques to characterise the 3D geometry of samples from the AEKI/MTA EK burst tests in the framework of the EU R2CA project. The experimental data from 11 test series were included in the R2CA database: REBEKA, AEKI/MTA EK burst, UK burst, Russian burst, NRU MT-4, CORA, QUENCH-LOCA, CODEX-LOCA, MTA EK H uptake, DEFEX and OECD-IAEA Paks Fuel Project. Data for other 26 test series were accessible for some of the project partners, but could not be shared within the project with all partners for different reasons: Edgar, COCAGNE, JAERI and JAEA burst, MRBT (ORNL) burst, ANL burst, FR-2, PHEBUS-LOCA, Halden-LOCA, LOFT LP-FP, FLASH, GASPARD, VERCORS, VERDON, Studsvik LOCA, Halden FGR, FIRST-Nuclides leaching, DEFECT, BIP, MARVIKEN, THAI, AR-TIST, STEM, VVER NPP iodine spiking, Rivne NPP collector cover liftoff, DOEL SGTR, Rivne NPP non-closure of safety valve.
Some of the experimental data are stored in international databases (e. g. IFPE of OECD NEA  (Menut et al. , 2000) , OECD NEA joint projects, IAEA FUMEX  (Killeen et al. , 2006) ), while some others are stored by the owners of data in private databases. The data of some old test series or experiments carried out outsides of Europe (USA, Russia) were not accessible for the project, but were listed in the database as significant contributions to our knowledge on the SGTR and LOCA related phenomena. The experimental data were used for the support of R2CA tasks in several areas including model development and validation activities:.
Conclusions The experimental data on reactor incidents and accidents provide the basis for code validation and development activities and serve as the background of current knowledge on related phenomena. The EU R2CA review of experimental databases covered a large number of tests, which characterizes the phenomena taking place during LOCA and SGTR events in PWRs and VVERs. Among the tests several separate effect tests and integral tests are listed, and some NPP measurements were also included. • Fuel failure during LOCA is well covered by experiments, since many test series have been carried out under different conditions with all important cladding types. In addition to burst type failurewhich took place in more than twenty reviewed test series -, the brittle failure of Zr alloy claddings due to thermal and mechanical loads was observed in some tests.
The fuel pellet fragmentation and dispersal was indicated by several tests (PBF, FR-2, ACRR, ANL, FLASH, Halden LOCA, Studsvik LOCA). • Fuel failure during SGTR normally is not expected for intact fuel rods. The related experiments simulate the behaviour of defective fuel rods, which may suffer from secondary defects during the accident. The available experimental data characterise the hydrogen uptake by Zr alloys in the defective fuel rods and its embrittlement effect. • Activity release from fuel during LOCA conditions was simulated in several separate effect tests (HEVA, VERDON, VERCORS, GASPARD, ITU FP, ORNL FP and CRL FP) and also by integral tests (ACRR, FLASH, Halden-LOCA, LOFT LP-FP). The available experimental data cover a wide range of parameters for different fission products. The Halden fission gas release (FGR) tests are also important for this topic, as they may provide part of the gap source term in case of fuel failure.
• Activity release from fuel during SGTR conditions is supported by iodine spiking experience at PWR and VVER NPPs and by separate effect tests on leaching of fuel pellet samples. The DEFECT, DEFEX and CRL defective fuel rod test series simulated the behaviour of defective fuel rods in research reactor conditions and provided valuable information on secondary defects and water logged fuel rod phenomena. • Activity transport during LOCA includes several phenomena in the primary circuit and containment, which were investigated in the VERCORS, VERDON, BIP, THAI and STEM projects. The ARTIST project focused on aerosol trapping in steam generators. Some important data can be drawn from the OECD-IAEA Paks fuel project and from the Rivne NPP event with non-closure of pressurizer safety valve. • Activity transport during SGTR is characterised by complex path configurations, which were studied in the VERCORS, VERDON, BIP, THAI, ARTIST and STEM projects.
The BIP, MARVIKEN FSCB and STEM test series simulated fission product transport in the steam generator, too. The primary-to-secondary transport phenomena were also observed in the Doel and Rivne NPP events with steam generator tube rupture and collector cover lift-up, respectively. The common use of data from small scale separate effect test and integral tests provides possibilities for the improved simulation of several phenomena (e. g. cladding burst, oxidation, hydrogen uptake, activity release and transport) under very different conditions. Most of these conditions can be considered as typical for LOCA and SGTR events, and some of them cover even wider parameter ranges than those that could be expected in the analysed accidents. The reviewed experimental series were executed mainly with such materials, which are used today or were used earlier in the NPPs.
• Post-test examination data (clad deformation, clad corrosion state (oxidation, hydrogen content), FP inventory in the gap, cumulative FP release from fuel rod, cumulative FP release from primary circuit, cumulative FP release from steam generator, cumulative FP release from containment, FPs deposition on surface). Not all measured data are available in the open literature or in open access databases. The members of the EU R2CA project, however, had access to significant part of the experimental data needed for code validation purposes in the safety analyses in the SGTR and LOCA domains.
DFT calculations The DFT methods are known to furnish an acceptable compromise between accuracy and applicability in large cell systems. Therefore, the ZIF-8 models have been simplified for ZIF-8 complex structures. Ni@ZIF-8, Au@ZIF-8 and AuNi@ZIF-8 have been established with the simplified ZIF-8 and metal cluster containing 38 atoms (Ni cluster, Au cluster and alloyed AuNi models). All spin-polarized calculations based on density functional theory (DFT) were performed utilizing DMol3 package  [33]. The generalized gradient approximation (GGA) in the Perdew-Burke-Ernzerhof form and Semicore Pseudopotential method (DSPP) with the double numerical basis sets plus the polarization functional (DNP) were adopted  [34]. The electronic properties, including density of states, electron density, orbitals and population analysis, in dye free form, have been studied.
Acknowledgments This article is dedicated to the memory of  Professor François Mathey  ( 1941-2020 ), a distinguished heterochemistry scientist. Helpful remarks and comments, particularly from one reviewer and from  Dr Desire di Silvio , ( CIC biomaGUNE, San Sebastian)  and financial support from the  China Scholarship Council  ( CSC , PhD grant to  Naixin Kang ), the  National Science Centre of Poland  under the program OPUS ( 2019/35/ B/ST5/00248 ,  Dr Emerson Coy  and  2019/33/B/ST5/01495 ,  Dr Sergio Moya ), the  MAT2017-88752-R Retos Project  from the  Ministerio de Economía, Industria y Competitividad, gobierno de España  ( Dr Sergio Moya ), the  National Natural Science Foundation of China  ( 21401168 ,  Prof. Baojun Li ), the  Centre National de la Recherche Scientifique (CNRS)  and the  University of Bordeaux  are gratefully acknowledged.
HRTEM is used to determine the size of Au NPs and consequently the distribution in size is obtained by measuring the particles size for more than 100 particles using the ImageJ software [W. Rasband, http://rsb. info. nih. gov/ij/]. UV-vis absorption spectra were recorded on a Perkin Elmer 950 spectrophotometer fitted with a Labsphere RSA ASSY 100 nm integrating sphere. The spectra are acquired in reflection mode (diffuse reflectance). In order to determine the absorbance coefficient, the diffuse reflectance spectra were converted to Kubelka-Munk units via the equation: FðRÞ ¼ ð1ÀRÞ 2 2R. To obtain the bandgap (E g ) of the semiconductor (SC), the Tauc equation (F(R)*hν) S = (hν À E g ) was used where h is the Planck constant, v is the frequency, and S is a coefficient which is 1/2 in the case of an SC indirect gap (TiO 2 ) and 2 in the case of a direct band gap SC (for bulk g-C 3 N 4 ).
The field is decades behind that of inorganic counterparts. There is thus a great opportunity here for the development of modelling approaches at different scales in space and time. An important development was the implementation of evolutionary algorithms interplayed with DFT calculations to resolve the crystal structure (without need of experimental inputs), which allowed a more fundamental understanding of the solid-state electrochemistry of OEMs  [64] [65] [66] [67]. However, this constitutes a computational demanding strategy that hinders its use for more extended high-throughput screening purposes. In this sense, there is a need for alternative methodologies to explore the vast number of possible candidates. Surrogate models to fast and efficient prediction of the materials properties, based on artificial neural networks, have been developed  [68] [69] [70] [71] ; but it is still a challenge to achieve accurate results with small training datasets.