dataesr/scientific-paragraphs-categorization huggingface dataset:
Quality of data Most of the data that we use in the study are primary data tested at a laboratory scale. In addition, academic literature, scientific databases, or modelling complement these primary data. For instance, we use the publication of  Piccinno et al. , (2016)  on advanced process calculations to scale up from the laboratory scale to the industrial scale. This benchmark is widely used in the literature on LCA for chemical reactions (Arfelis  Espinosa et al. , 2022). All the secondary data were evaluated qualitatively using the Pedigree matrix  (Ciroth, 2009; Weidema and Wesnaes, 1996) , all data being sufficiently reliable, complete, and without temporal, geographical, or technological differences. Even though, not having fully operational industrial scale data presents limitations, which are common in chemical LCAs.
Life Cycle Assessment (LCA) The environmental impact has been calculated with the LCA methodology, which is based on the ISO 14040  (ISO 14040:2006 (ISO 14040: (en), 2006) )  and ISO 14044  (ISO 14044:2006 (ISO 14044: (E), 2006) )  standards, and which is used to compare alternatives  (Fullana-I-Palmer et al. , 2009). LCA is structured in four different iterative phases: i) Definition of Goal and Scope, ii) Development of Life Cycle Inventory (LCI), iii) Life Cycle Impact Assessment (LCIA), and iv) Interpretation of results. The model for the LCA is developed using GaBi Professional Software (version 10. 6. 1. 35), including its datasets  (Sphera, n. d. )  to characterize and quantify the impact of the raw and auxiliary materials. This is the world's leading LCA modelling and reporting software with the largest LCA databases for chemical products.
In addition, AspenPlus (version 12. 2) is used to simulate the processes, model the mass and energy balances for the LCI, and check the physical and chemical properties of the substances. This is the most widely used software for chemical process simulation and has extensive databases for this purpose. The ReCiPe 2016 (version 1. 1 midpoint, Hierarchist model) methodology is used for the calculation of LCIA  (Huijbregts et al. , 2017 (Huijbregts et al. , , 2016)). According to a recent review on 47 different LCA of chemical reactions, this is the preferred method in this type of LCA (Arfelis  Espinosa et al. , 2022) , mainly because it brings together the main authors of the most previously used methodologies and because it perfectly summarises the long list of LCI results in its different environmental indicators  (Ordikhani et al.
Life cycle inventory The LCI comprises the input and output mass and energy flows. Table 1 presents these inventories for each one of the reactions per 1 kg of synthesized CAZN. As shown in the bill of materials, HMMS is a process with lower energy (electricity) and freshwater consumption. We have considered the European energy mix of 2017 from professional GaBi databases  (Sphera, n. d. )  for the study, as well as the projection (without consideration of the consequences of the war in Ukraine, yet) for years 2030 and 2050, according to the "EU Reference Scenario 2016 -Energy, Transport and GHG Emissions -Trends to 2050" published by the European Commission in 2016  (Capros et al. , 2016). These electricity projections are mainly used in LCA of the energy sector  (Reinert et al. , 2021). However, in LCA of chemical reactions, where they also provide important value, they are not so commonly used (Arfelis  Espinosa et al.
The indirect process is the most used in Europe. In this process, the raw material is zinc metal. Metallic zinc is melted in a furnace and vaporized at ca. 910 °C. Then, ZnO is produced as an immediate reaction between the zinc vapor with the oxygen from the air (Kolodziejczak-Radzimska and Jesionowski, 2014). We have simulated the French process to produce ZnO (Fig. 4 ) to calculate its environmental impacts, because these are not directly available in the GaBi professional database  (Sphera, n. d. ). We have considered the French process for both HMMS and HTS, and not the American one, as both routes have been studied in Europe.
LCI of the transport stage For the transport stage of the raw materials, we have assumed a dieseldriven Euro V truck of 20-26 t gross weight and 17. 3 t payload capacity. This capacity is the average value of the alternatives available in the GaBi professional databases  (Sphera, n. d. )  with 2020 as a reference year. Euro V is the vehicle emission standard for exhaust vehicles sold in the European Union (EU) and European Economic Area (EEA) member states and the United Kingdom (UK) between 2008 and 2012  (Stratstone, 2021). This period corresponds with the average age of trucks in Europe (ACEA, 2021). The Euro V standards are defined in a series of EU directives staging the progressive introduction of increasingly stringent standards. Since batteries weight and volume are identical for both processes, only raw materials transport is included in the study, where a transportation distance of 100 km has been assumed.
Energy demand After selecting the most efficient processes (HTS and HMMS), we have compared their environmental impacts. Thus, we have considered each of the differences that may exist in each reaction (i. e. , residence time and particle size) and have completed an exhaustive study with 7 different scenarios of energy demand in different stages of the overall process. The scenarios have been selected to evaluate the uncertainty generated by some data discrepancies in the different literature sources used for each process or to evaluate different operational conditions that are being studied and optimised for each stage of the processes in the laboratory. • 1_HEAT_MID, the temperature in CSTR in HTS is 50 °C. This is the average value between the experiments performed in UMA and the temperature reported in the literature  (Wang et al.
Electricity mix The European electricity mix is expected to change due to the more restrictive directives from the European Commission and the European Green Deal implementation  (European Commission, n. d. ). This aspect influences the impact categories. Therefore, to assess possible future environmental impacts, we developed a sensitivity analysis based on the future electricity grid mix in Europe for years 2030 and 2050 according to EU Energy trends data available in the Professional GaBi Databases  (Sphera, n. d. ). The electricity mix sources are presented in Fig. 5.
Acknowledgments One of the authors,  Sergi Arfelis  would like to thank the  UNESCO Chair in Life Cycle and Climate Change at ESCI-UPF  for hosting the development of his PhD thesis, of which the research presented in this paper forms a part, and the PhD programme in Environmental Engineering at the  Universitat Politècnica de Catalunya , in which this thesis is registered. The authors are responsible for the selection and presentation of all information contained in this paper as well as for the opinions expressed therein, which are not necessarily those of  UNESCO  and do not commit this Organization. In addition, DEASYL SA, as the main source of funding, was not involved in the results and opinions presented in this article, beyond providing their experimental data and expert knowledge.
Patient-speci c three-dimensional model generation This study received approval by the Bergamo Ethics Committee (Reference number NCT04141852). The patient authorised the use of his clinical and imaging data for research purposes. A contrast-free MRI was acquired in a 72-year-old male 3 days after the creation of a native distal radio-cephalic side-to-end AVF. We acquired the CUBE sequence, previously optimised for AVF imaging  [11]  on a 1. 5T scanner (GE, Optima 450w GEM) using a exible 16-channel phased array medium coil, covering a region of approximately 3 and 5 cm above and below the anastomosis, respectively. Image segmentation was performed using the Vascular Modelling ToolKit  [12]. Straight cylindrical ow extensions of ve diameters were added to the vessels to ensure fully developed blood velocity at the inlets.
Secondly, we have used a steady state in ow velocity which is clearly unphysiological, but the use of constant ow rate is simply a pragmatic choice that allows us in the simplest possible way to reveal whether the vascular wall may vibrate. That being said, we also investigated the measured patientspeci c cycle-averaged and end diastolic ow rates, and the wall vibrated regardless. If anything, the use of constant ow rates would underestimate ow instabilities, and presumably vibrations, that typically intensify during peak deceleration due to adverse pressure gradients  [49]. This doesn't seem completely unreasonable given that the clinically reported bruits acquired through auscultation are normally at the order of 500 Hz, compared to the maximum of 300 Hz in the current study. In addition to that, the patientspeci c data used in the current study was from a 3-day old AVF, that had not yet matured and the ow rates were 'only' 445 mL/min, which is 155 ml/min lower than what is considered a well-functioning AVF (AVF's Rule of sixes).
Setting aside the impact of varying Young's modulus, ow rates, and wall thickness, which con rms that these factors are sensitivity issues, we would argue that the overall physiological phenomenon is fully plausible. Moreover, vibrations are determined by the morphology and presence of the pressure uctuations in the ow, i. e. , the local Reynolds number, which is uniquely determined by the AVF morphology and the ow rates. In our case, the generation of the morphology from patient-speci c medical images and derivation of ow rate from velocity measurements by Doppler Ultrasound de nitely minimise the study limitations. Although our observations are limited to one patient only, they are based on patient-speci c data and are consistent with clinical reports of bruits and vibrations.
Acknowledgements The study was supported by  The Research Council of Norway  through the  SIMMIS  project ( 262827 ). The simulations were performed on the Experimental Infrastructure for Exploration of Exascale Computing (eX3), which is nancially supported by the  Research Council of Norway  under contract  270053. The authors would like to thank  Dr. Paolo Brambilla  for the MRI acquisition, and  David Bruneau  and  Luca Soliveri  for fruitful discussions.
, 2018; Ramirez et al. , 2020). However, the incidence of NDM-like class B (MBL) β-lactamases has steadily grown recently  (Ramirez et al. , 2020). Of the 55 NDM variants listed in the Beta-Lactamase DataBase  (Naas et al. , 2017) , NDM-1 is the most frequently NDM-type carbapenemase identified in CRAB but strains producing other variants, such as NDM-2, NDM-5, NDM-6 or more recently NDM-42, have been sporadically reported  (Kaase et al. , 2011; Khalid et al. , 2020; Xanthopoulou et al. , 2020; Quiñones Pérez et al. , 2022). While the bla NDM-9 variant was very rarely detected in A. baumannii  (Poirel et al. , 2021; Le Terrier et al. , 2023) , NDM-9 has been reported more frequently in Enterobacterales (K. pneumoniae and E. coli), especially in East Asia (South Korea, Taiwan, China and French Polynesia) and sporadically in Europe (Switzerland, Italy)  (Wang et al.
Genomic data Total DNA of strains 13A297 and 19A2597 was purified (NucleoSpin Microbial DNA, Macherey-Nagel, Germany), and then quantified spectrophotometrically (NanoDrop, Thermo Fisher Scientific, France). Preparation of DNA libraries and whole-genome sequencing experiments were outsourced to services using Illumina platforms generating paired-end reads (P2M platform, Institut Pasteur, Paris, France). In addition, long-reads sequencing using the Oxford Nanopore technology was performed for the strain 13A297 (MinION, R9. 4. 1 flow cell). Short and long reads were assembled as hybrid using SPAdes v. 3. 15. 5 and Trycycler v. 0. 5. 0. Quality control of reads, assembly, and genome annotation were carried out using FastQC v. 0. 11. 9, QUAST v. 5. 0. 2, and RASTtk on the PATRIC 3. 6. 9 platform.
Molecular modeling Three-dimensional structure of NDM-9 was generated by in silico mutagenesis from the structure of NDM-1 (PDB code 4RL0)  (Feng et al. , 2014)  using UCSF Chimera (version 1. 14)  (Pettersen et al. , 2004). Molecular docking of cefiderocol (open form) into the active sites of both NDM-1 and NDM-9 was performed using CCDC Gold (part of CSD 2021 software)  (Verdonk et al. , 2003)  with the GoldScore scoring function and the binding site defined as a sphere with 20 Å radius around Zn301.
1%. It exhibited significant similarity (99. 9%) to 75% of the sequence of plasmid pIOMTU433 (accession number: AP014650) (Figure  1 ). Plasmid pIOMTU433 is a 189,354 bp long plasmid identified in an A. baumannii clinical strain isolated in Nepal in 2013. Interestingly, pIOMTU433 did not carry a bla NDM-like gene but a bla PER-7 ESBL-encoding gene. In addition to bla NDM-9 , pNDM-9 also carried other resistance genes, such as sul2, aph(3″)-Ib and aph(6)-Id, which confer resistance to sulfonamides and aminoglycosides, respectively. Furthermore, the pNDM-9 plasmid shared 99. 9% nucleotide identity with 90% of the sequence of the bla NDM-1 positive plasmid pPM194122 (150,385 bp-long, accession number CP050426), which was sequenced from an A. baumannii strain from India (Figure  1 ). Consistent with the identification of an incomplete tra operon, attempts to transfer the pNDM-9 plasmid by mating-out assays were unsuccessful.
SAMPLES AND METHODS Observations were made on several stones of the Winchcombe fall, including hand specimen and as resinmounted polished blocks. Polished blocks P30551 (sample 5a-v1-4; BM. 2022,M9-13), P30555 (sample 5a-v1-7; BM. 20 22,M9-17), P30554 (Sample 5a-v1-6; BM. 2022,M9-16), P30542 (sample 1b-43; BM. 2022,M2-44), and P30540 (sample 1b-v1-4; BM. 2022,M2-42) were studied by analytical scanning electron microscope (SEM) with textural properties determined from backscattered electron images. Samples, including masses and collection information, are listed by  King et al. (2022). Energydispersive spectroscopy (EDS) was used to determine phase compositions with X-ray mapping used to collect phase and compositional maps. Several different instruments were used to collect data: (1) Zeiss EVO at the Natural History Museum; (2) Hitachi TM4000+ at Imperial College London; (3) Hitachi S3400N, with an Oxford Instruments X-Max EDS SDD (with AZtex analysis software) at the University of Kent; (4) Zeiss Sigma variable pressure field emission gun SEM equipped with an X-Max 80 mm 2 silicon drift EDS detector from Oxford Instruments Nanoanalysis in the ISACC facility at the University of Glasgow; (5) Hitachi SU70 Schottky field emission gun SEM with EBSD Detector: Oxford Instruments Symmetry S2.
Analyses were carried out at 20 kV, 8. 1 nA beam current and EBSD patterns were collected at 156 9 128 pixel resolution, typically at ~165 patterns per second. Indexing was carried out using forsterite olivine and magnetite spinel phases. Minor postacquisition data cleaning was used to remove isolated errors and to improve data at grain boundaries. A Bruker M4 TORNADO PLUS micro X-ray fluorescence (lXRF) spectrometer at the Museum f€ ur Naturkunde, Berlin, was used to obtain major and trace element (>10 lg g À1 ) abundances from polished block P30542 (sample 1b-43). An X-ray intensity overview map of 1147 width and 757 pixel height was obtained with a dwell time of 10 ms per pixel and under a vacuum of 2 mbar by using a rhodium X-ray source operated at 50 kV and 600 lA. The X-ray beam was focused to a spot of 20 lm diameter on the sample surface by using a polycapillary lens.
Due to the fine-grained nature of the CM2 matrix and the small dimensions of sample P30542, the overview map was slightly oversampled (5 lm pixel size) to allow the discrimination of fine details. The bulk composition of sample P30542 was determined from (1) a sum spectrum of 224,800 pixels obtained from the pristine, interior part of the sample; and (2) a grid of 113 randomly placed, 20 lm spot analyses that were obtained using 50 kV, 300 lA, and 300 s integration time per spot. Care was taken in both approaches to exclude the fusion crust, the thermally altered substrate, and substrate close to the outer, presumably thin parts of the sample. Standardization of the lXRF data was based on a custom type calibration routinely in use for this instrument and data quality was checked against a slab of the Murchison CM2 carbonaceous chondrite.
Acknowledgments-This publication is part of the  Winchcombe science team consortium , organized by the  UK Fireball Alliance , and conducted by the  UK Cosmochemistry Network. The authors of this paper would like to thank the  UK Fireball Alliance , its constituent networks ( UK Fireball Network , SCAMP,  UKMON , AllSky7,  NE MATODE , GMN), international collaborators (FRIPON,  Global Fireball Observatory ,  Desert Fireball Network ,  University of Western Ontario , and  University of Helsinki) , and the meteor observation camera owners who participate in the UK Fireball Alliance network for their aid in observing the fireball and helping to predict its fall position. We would also like to thank the scientists and volunteers who participated in the UK Fireball Alliance-led search and recovery of the Winchcombe meteorite, and the local community, who generously reported and donated meteorite finds and enabled the team to search the strewn field.
To assess the broader relevance of this, we estimated the distance corresponding to TMin (amino acid positions 6. 36-7. 56) in several class A GPCR crystal structures from the Protein Data Bank and observed that the active and inactive states of GPCRs appear to correspond to long (7. 7-11. 5 Å) and short (5. 5-6. 7 Å) distances, respectively (Supplemental Table  2 ). These data suggest that ET A R-E303K preferentially adopts the active state regardless of ligand availability, allowing G protein binding and increased basal activity, which itself allosterically affects the conformation of the ligand binding domain (Supplemental Figure  9 ). Reduced water network contributes to the acquired ET3 affinity in ET A R-Y129F. Next, we examined how ET A R-Y129F increases ligand binding affinity. Y129 2.
55 of ET A R-Y129F. ET A R-Y129F and ET A R-E303K showed increased affinity and responsiveness to ET3 due to allosteric influences from outside the ligand pocket, whereas ET1 showed no further pharmacological affinity enhancement. ET1 binding is possibly affected by the lid consisting of the N-terminal and extracellular loop as shown in ET B R  (42) (43) (44) , since the affinity for ET1 was well maintained upon the loss of HBs with R326, which, in contrast, is critical for ET3-ET A R binding. Thus, ET1 and ET3 clearly differ in the mechanism of affinity for the same receptor. rather than the active state of ET3-bound ET B R (PDB:6IGK) as an available ligand-bound template. This template is restricted in the movement of the intracellular side of the TMs because of the large T4-lysozyme protein within intracellular loop 3 and several mutations for thermal stabilization.
Patient genetic studies The patient's clinical details are listed in Supplemental Table  1. Genomic DNA from the patient was screened for copy number variations using a Nimblegen 135K comparative genomic hybridization microarray with a resolution of 100 kb. For next-generation sequencing, genomic DNA was extracted from the patient's blood, captured using a customdesigned Agilent SureSelect kit, and sequenced on an Illumina NextSeq The number of water molecules within the water network around Y129 decreases upon Y-to-F substitution, thereby increasing the probability of a state with a narrowed ligand pocket, leading to increased hydrogen bonding with ET3. MD simulations were performed using the MD program package GROMACS ver. 2016. 3  (58)  with the CHARMM36 force field for proteins  (59, 60)  and membranes  (61, 62)  and the TIP3P water model.
5% for the helix domains). A multiple-sequence alignment of mouse, rat, and human ET B R and ET A R was built using T-COFFEE  (54). As the template structure, the rerefined and rebuilt structure of human ET B R deposited in the PDB-REDO databank (ID: 5GLI) was employed, and the homology modeling was executed by MODELLER  (55). In the modeling process, the fused T4L was deleted. Since we focused on dynamics of typical GPCR structures consisting of 7 transmembrane helices (TM1-7) and intracellular helix 8, the corresponding residues 65-385 of the ET A R model structure were used in MD simulations. A complex system of the model ET A R structure embedded in membrane and water molecules was constructed by the membrane builder implemented in CHARMM-GUI  (56). The protonation states of protein were determined by pK a using the program H++.
The orientation of ET A R relative to the lipid bilayer was set to that of the ET B R structure deposited in the orientations of proteins in membrane (OPM) database  (57). The type of the lipid bilayer was 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). The mutations E303K, Y129F, S373E, or R326Q were substituted using the setup process in CHARMM-GUI. In the Na-bound ET A R model, the Na + ion in the Na/water pocket was modeled so that the interaction mode around the Na + ion, including crystal water molecules formed in the crystal structure of the human A 2A adenosine receptor (PDBID: 4EIY), was reproduced. An ET3 or ET1-bound ET A R model was constructed by homology modeling using ET3 or ET1-bound human ET B R (PDBID: 6IGK for ET3; PDBID: 5GLH for ET1) as a template. The membrane-water systems for the mutant, Na-bound or ET-bound ET A R models were constructed using the same procedure described above.
(E) TMpkt level structure. A representative apo ET A R-Y129F with area 3 = 7 water molecules (sky blue) is superimposed on Na-bound ET A R-Y129F (inactive state; grey). (F) PCA for the conformation of the extracellular half of TMs 2, 6, and 7 of ET A R-Y129F in different states. A snapshot of the 3D representation of the PC2-PC3-PC5 axis. This is available in a 3D viewer file at https://kurihara-utokyo. github. io/yk2021-et/. (G) Probability distribution of TMpkt for ETAR-Y129F (upper) and ETAR-WT (lower), in the apo forms (dark grey) or bound to ET3 (pink or light grey). (H) Probability distribution of TMex for ETAR-Y129F (upper) and ETAR-WT (lower), in the apo forms (dark grey) or bound to ET3 (pink or light grey).
discussion, Kahina Belhous for radiological analysis, and Yumiko Kawamura, Sakura Kushiyama, Clémantine Dimartino, Nabila Djaziri and Hiroki Higashiyama for contribution to experiments. Address correspondence to: Yukiko Kurihara, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-0033, Japan. Phone: 81. 3. 5841. 3498; Email: yuki-tky@umin. net. TK's present address is: Aarhus University, MBG, Aarhus C, Denmark. RA's present address is: Cardiovascular Research Institute, UCSF, California, USA. RS's present address is: Department of Pediatrics, Graduate School of Medicine, The University of Tokyo, Tokyo, Japan. RK's present address is: Department of Neurology, Graduate School of Medicine, The University of Tokyo, Tokyo, Japan. Drug Discovery and Life Science Research (BINDS)) from AMED (JP20am0101109 and JP22ama121023 to MI); Program for Promoting Researches on the Supercomputer Fugaku (MD-driven Precision Medicine) from MEXT (hp200129 and hp210172 to MI); A Grant-in-Aid for Scientific Research on Innovative Areas Molecular Engine from MEXT (18H05426 to MI); The grant for 2021-2023 Strategic Research Promotion from Yokohama City University (SK202202 to MI); the Agence Nationale de la Recherche (CranioRespiro project and "Investissements d'Avenir" program [ANR-10-IAHU-01 to JA]); MSD-Avenir (Devo-Decode project to JA); and the Philanthropy Department of Mutuelles AXA and the AXA Research Fund (Head and Heart project to JA).