dataesr/scientific-paragraphs-categorization huggingface dataset:
This protein, w hardly or not detected in the total extract or soluble fraction of the bacterium i teomic analyses (data not shown), was not identified by mass spectrometry in activity gel band (Table  2 ), suggesting that it is not part of the enzyme complex   1 Accession: accession number in the UniProt database. 2 Mw: theoretical molecular weight of the identified protein in kDa. 3 PSM: peptide spectrum match number (given by the algorithm corresponding to the total number of identified peptide sequences for the protein, including those redundantly identified). 4 Cov: percent protein sequence coverage by the matching peptides. 5 Pep: number of distinct peptides matching the protein sequence and unique to this protein. -: not identified by mass spectrometry.
Acknowledgments: The authors thank  Laetitia Pieulle  ( LCB, CNRS, Marseille, France ) for providing catalytic amounts of D. africanus PFOR and  Myriam Brugna  ( BIP, CNRS, Marseille, France ) for providing D. fructosovorans Hyn hydrogenase and for helpful discussions. The authors also thank  Isabelle Meynial-Salles  ( INSA, Toulouse ) for providing us the plasmid pthl-Fd-LL-C-Tag that was further modified for A. aeolicus Fd7 gene cloning. The authors are grateful to the EPR facilities of the  Aix-Marseille EPR center. The " Plateforme Protéomique" at IMM  is a part of the  network "Marseille Protéomique", IBiSA-and Aix-Marseille Université  labeled.
Optical and photochromic properties of the dyes in solution The photochromic behaviour and optical properties of the dyes were studied by UV-vis spectroscopy in toluene solution according to a classical method. 43, 44 The spectra were recorded in the dark and under illumination with a polychromatic light source from long to short wavelengths to avoid any interference from the measurement technique (i. e. conversion of the dyes from the close to the open form with UV photons during the measurement). The results were compared with data obtained from NP2, a photochromic dye used as a reference. 25 NP2 is a diphenyl-naphthopyran dye containing a diphenylamine as a donor unit and produces the highest PCE ever recorded for a photochromic dye in DSSCs. The absorption spectra of the closed and open form isomers of SF1-5 are shown and compared in Fig.
Acknowledgements F. S. thanks  Dr W. Naim  and  Dr F. Grifoni  for the help in the development of the G-Lyte electrolyte. R. D. thanks  Dr J. Liotier  for his help during the synthesis of some of the precursors. P. thanks  GENCI (CINES and IDRIS)  for high-performance computing resources (grant  2019-A0060807648 ). R. D. acknowledges the  European Research Council (ERC)  for funding. This work was funded under the European Union's  Horizon 2020 research and innovation programme  (grant agreement number  832606 ; project  PISCO ).
Data availability The ESI † contains all experimental details, including the synthetic method, characterization of all chemical products reported in this study. NMR spectra of all compounds are included. The Python program developed and used in this work is available on GitHub. https://github. com/Samuel-Fauvel/CRI-AVT-Solar-Cells; (DOI: https://10. 5281/zenodo. 8189369). The raw data for Fig. 2  (optical properties), Fig. 4  (J-V curves for best cells and statistical analysis), Fig. 6  (I-V and P-V curves for the mini-module and transmittance for activated and nonactivated mini-module), DFT and TD-DFT les, are available at Open Science Framework, https://osf. io/tvrxy/, (DOI: https:// 10. 17605/OSF. IO/TVRXY).
Statistical analysis The results of bioactive compounds yield at different extraction parameters (100/200/300/400 W, 5/10/15/20 min) were analyzed using an ANOVA test followed by Tukey post-test. The results were expressed as mean ± standard deviation, and results were considered significant when the p-value was lower than 0. 05. Different lowercase letters represent significant differences (p < 0. 05), and ns represent no significant differences (p > 0. 05). Those parameters of interest were subjected to principal component analysis (PCA) using the Graph 9 software to measure the correlation matrix. The inputted variables among different samples were mapped as a biplot where the loadings and scores were distributed in two-dimensional section determined by the first two principal components (PCs) with eigenvalues >1.
Acknowledgements This study forms part of the  AGROALNEXT programme  and was supported by  MCIN  with funding from  European Union NextGener-ationEU  ( PRTR-C17. I1 ) and by  Generalitat Valenciana. Authors would also like to acknowledge  University of Valencia  through the projects  OTR2021-21736INVES  and  OTR2021-21570INVES  supported by the  University of Vigo. Moreover, it was partially funded by the  EU Commission  and  BBI-JU Horizon   H2020 , through the  AQUABIOPRO-FIT project (Aquaculture and agriculture biomass side stream proteins and bioactives for feed, fitness and health promoting nutritional supplements ) grant number  790956. Francisco J. Barba ,  Jianjun Zhou  and  Min Wang  are members of the CYTED network "P320RT0186-Aprovechamiento sostenible de recursos biomásicos vegetales iberoamericanos en cosmética (BIOLATES)".
Energy, economic and environmental The overall operating cost of the heat recovery system is 12% of the cost of oil boilers and 39% of coal boiler. The power consumption is lower than solar-only-system. Environmentally, the heat recovery systems were competitive with the gas boiler system. [94] Heat pump N/A Numerical A system integrating a heat pump directly into the heat recovery from wastewater was demonstrated. The system is a heat recovery tank that accepts the outgoing warm wastewater which can be connected to any wastewater source in a house. Energy A COP of above 6 was demonstrated under conditions in the first scenario, while the second one a COP above 6. 5 for all resident's datasets was reached. Energy saving analysis showed a low electrical energy inputs demands. (continued on next page).
A multi drain heat recovery system was suggested recently  [83]. In their study, an in-house code is developed based on the mentioned theory. They present a case study for a multi drain heat recovery system applied in several cases (washer machine, shower, washing machine). For varied input cold water temperatures and for various cold and hot water flow rates, the difference in heat rate between the numerical and experimental results is always less than 14. 2%. The results of the parametric study, which examined the impact of hot and cold water inlet temperatures and flow rates on system performance, allowed for the formulation of useful suggestions for the actual implementation of the proposed idea. It was shown that for a drain water temperature of 25 • C for the case of Lebanon, increasing the heat exchanger length from 0.
2 m to 1 m results in an increase in monthly energy savings from 102. 2 kWh to 410. 9 kWh, monthly financial savings from 13. 3 $ to 53. 4 $, and monthly CO2 emissions reductions from 72. 5 kg to 291. 7 kg. In addition, several recent studies are published focusing on drain WWHR using numerical simulation using CFD software, such as Singh et al. [106]. The goal of their study is to determine whether it is possible to reduce the net energy needed for commercial hot water use in food-related activities by recovering heat from grease traps (GT) in commercial kitchens.
| Material characterization Powder X-ray diffraction (PXRD) was conducted on a Rigaku MiniFlex 600-C X-ray diffractometer with peak identification using the ICDD database. Transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDS) were conducted using an FEI Tecnai G2 20 S-TWIN scanning transmission electron microscope. High-angle annular dark-field STEM (HAADF-STEM), and HAADF-STEM-EDS mapping were examined using a Thermo Scientific Talos F200XFEG STEM. 37 Scanning electron microscopy (SEM) was performed on a Hitachi S4800 field emission scanning electron microscope, and the collected images were analyzed following a published method. 29 Surface elemental mapping was conducted on the SEM equipped with an Oxford instruments EDS detector, and the recorded data were analyzed using Aztec software.
38 -ray photoelectron spectroscopy (XPS) was performed on a Thermo Scientific ESCALAB XI + X-ray photoelectron spectrometer microprobe with a monochromatic Al Kα X-ray source (hν = 1486. 6 eV) and a Kratos Analytical Axis Ultra DLD spectrometer with monochromatic Al Kα X-ray (hν = 1486. 6 eV). Curvefitting analysis was conducted on Casa XPS software following a published protocol. 39  Carbon content was measured using a Horiba EMIA analyzer without any special treatment on the sample powders.
| Chemical composition and structural analysis of TaNOC XRD is used to examine the crystallinity of TaNOC nanomaterials. Figure  2A  and Supporting Information: Figure  S1  show the XRD diffraction patterns of TaNOC-x indexed according to the crystalline phases recorded in the ICDD database (Ta 2 O 5 #19-1299, Ta 4 N 5 #50-1176, Ta 3 N 5 #79-1533, and TaN #49-1283). XRD data show that TaNOC-1 exhibits a diffraction pattern similar to that of a pure Ta 2 O 5 phase. With an increase in the NH 3 used during laser pyrolysis, the intensity of the Ta 2 O 5 diffraction pattern diminishes. As the N content in the TaNOC-x powder increases, the signals for nitrided phases such as Ta 4 N 5 , Ta 3 N 5 , and TaN grow substantially. When the NH 3 :Ar ratio reaches 40:60, Ta 2 O 5 disappears completely while metallic TaN becomes the major component (Supporting Information: Table  S3 ).
When looking at surface analysis of the homotrimer (Figure  5 ), the three symmetric facets of the trimer exhibit a strong hydrophobic character, as compared to both sides of the homotrimer. This suggests that NiR might be interfaced with MWCNTs near this hydrophobic domain of the protein. To both confirm this hypothesis and understand the favorable effect of the functionalization by adamantane, docked studies were performed by using the Autodock 4. 0 software  [33]  (see Supporting Information for details). Different positions were generated and ranked in a histogram according to a scoring function correlated to the interactions. Two binding modes emerge, one closer to CuÀ T1 and the other to CuÀ T2 (see Figure  6A ). The surface analysis of the homotrimer shows that the position of the adamantane close to CuÀ T2 corresponds to the substrate hydrophobic channel of NiR, formed by two adjacent monomers (Figure  6B ).
Computational Methods Docking calculations were done by using the Autodock 4. 0 software on the A. Faecilis NIR structure (pdb:2FJS). [33] The input files were prepared with ADT Tools by using gasteiger partial charges for both the enzyme and the adamantane. A grid of 60x60x60 points centered on the CU1 of the subunit A and separated by 0. 375 Å was used. Copper atom is treated as a metal ion and specific parameters were added with the file AD4-parameter (3. 50 for Rii = sum of vdW radii of two like atoms (in Angstrom) and 0. 005 for epsii = vdW well depth (in Kcal/mol)). A conformational search was performed using a genetic algorithm with an initial population of 300 randomly placed individuals, a maximum number of 2. 5 × 10 5 energy evaluations, a maximum number of 2. 7 × 10 4 generations, a mutation rate of 0.
Acknowledgements This work was supported by the  Agence Nationale de la Recherche  through the  LabEx ARCANE programe  ( ANR-11-LABX-0003-01 ) and the  Graduate School on Chemistry, Biology and Health of Univ Grenoble Alpes CBH-EUR - GS  ( ANR-17-EURE-0003 ). The authors acknowledge support from the  plateforme de Chimie NanoBio ICMG FR 2607  ( PCN-ICMG ) and  Plateau Synthese Organique (PSO-DCM).
We observe that the complexity of Bellman's equation increases exponentially with N ; this phenomenon is the well-known curse of dimensionality. As a consequence, the dynamic programming approach is not tractable for problem (1. 1) when the number of agents N is large. Let us mention here that problem (1. 1) can be formulated as a large-scale mixed integer convex program (MICP), that is to say, an optimization problem with integrity constraints which becomes a convex program if the integrity constraints are removed. We refer to  [10]  and to the references therein for the resolution of such problems. However, the number of variables in the MICP corresponding to our problem is equal to N i=1 T |S i ||U i | and is quickly prohibitive for solvers such as GUROBI  [12]  and SCIP  [6]  as N increases.
The B3LYP*/B3LYP results are also consistent with the recent study by Jiang and Ryde  51  where B3LYP predicts C3H to be the lowest energy model. Their work, however, also show TPSSh predicting the C3H model to be almost isoenergetic with OBS 6 -2BH 26 (0. 9 kcal mol À1 ). Our TPSSh results in contrast show C3H to be unfavorable by 25. 1 kcal mol À1. The reason for the difference is likely rooted in the larger basis sets (ZORA-def2-TZVP) together with a ZORA relativistic treatment used in our work, while a small def2-SV(P) basis set was used by Ryde and coworkers. 51 n the ESI † we have included data with the non-hybrid functional TPSS for comparison (see Fig. S19  in section 9 of the ESI †). TPSS gives a slightly different picture from r 2 SCAN, B97-D3, and TPSSh. The functional is overall in agreement about isomers OBS 6 -2BH 26 and OBS 6 -BH 26 -TH 2 being lowenergy but predicts isomer OBS 6 -DH 2 as being considerably less stable.
Characterization techniques 2. 2. 1. Transmission electron microscopy (TEM) and highresolution TEM (HRTEM). TEM images was performed at the "Servei de Microscòpia de la UAB" using a JEOL JEM 2010 electron microscope, and HRTEM at the "Centre de Microcaractérisation Raimond Castaing" in Toulouse (UMS-CNRS 3623) on a JEOL JEM-ARM 200F microscope working at 200 kV with a point resolution of 0. 19 nm. Samples for TEM analyses were prepared by slow evaporation of a drop of the crude dispersion deposited onto a holey carbon-covered copper grid. Samples for HRTEM analyses were prepared in the same way from purified nanomaterials redispersed in THF. TEM allowed the evaluation of NP mean size, size distribution, dispersion and morphology. Enlarged micrographs were used for treatment using ImageJ software to obtain a statistical size distribution and the mean diameter of NPs.
Measurements were performed on an Optima 4300DV PerkinElmer system at UAB (Chemical Analysis Service). Samples were prepared by taking 5 mg of the nanomaterials and digesting them with aqua regia under microwave conditions followed by dilution of the mixture with HCl 1% (v/v). 2. 2. 4. Electrochemical measurements. All the electrochemical experiments were performed using a BioLogic SP-150 potentiostat. A glassy carbon rotating disk electrode (GC-RDE, ∅ = 0. 3 cm, S = 0. 07 cm 2 ) was used as the working electrode (WE). A Pt grid was used as the counter electrode (CE) and a saturated calomel electrode (SCE, KCl sat. ) was used as a reference electrode (RE). All data were transformed to RHE by applying +0. 241 V. The rotating disk electrode (RDE) was set at 3000 rpm in order to ensure the complete removal of in situ formed gas bubbles.
The solutions were degassed previously for the electrochemical analysis with a N 2 flow. Ohmic potential (IR) drop was automatically corrected at 85% using the Biologic EC-Lab software for cyclic voltammetry and chronoamperometry. For chronopotentiometry experiments the IR drop was manually corrected (E mod = E meas + E IR , mod = modified and means = measured) at 85% by adding the corresponding potential value E IR = i exp × (R mes × 0. 85), where i exp is the applied current in A and R mes is the measured resistance in Ω. A 1 M H 2 SO 4 solution was prepared by mixing 56. 1 mL of 95-97% H 2 SO 4 in 1 L of Milli-Q water. A Unisense H2-NP Clark type electrode was used to measure the produced hydrogen in the gas phase during the chronopotentiometry experiments by placing it together with the WE (in this case a FTO electrode) and RE (in this case Ag/ AgCl) in the same compartment.
Acknowledgements This work was financially supported by the  MICINN/FEDER  projects  PID2019-104171RB-I00 ,  PID2020-112715GB-I00 ,  PID2021-128197NA-I00  and  TED2021-129237B-I00 , the  Red Española de Supercomputación (RES)  through  QHS-2021-3-0016  project, the  CNRS , the  Univ. Toulouse III -Paul Sabatier  and the  GDRI HC3A Franco-Catalan action. J. C. thanks the  UAB  for a PhD grant. G. M. and D. A. F. thank  MICINN  for their FPU PhD grants. X. S. thanks  ICREA  for the ICREA Academia prize 2020. L. F. is indebted to the  Ramón y Cajal Program  ( RYC2018-025394-I fellowship ). S. G. acknowledges  Universitat Jaume I  for financial support through the project  UJI-B2019-20. C. A. M. acknowledges the  Generalitat Valenciana  for the  APOSTD/2021/251  fellowship. The authors also acknowledge  Guillaume Sauthier  for XPS analyses.
Acknowledgments The authors gratefully acknowledge the financial support for the research by inalve through an industrial PhD grant (No. 2019/1102 ) awarded to  Pauline Delran  by the  French Association Nationale de la Recherche et de la Technologie (ANRT). The authors thank the Carnot  3BCAR  network for bringing together the members of this project and for facilitating their exchanges. They also thank  EUR BioEco  for training support ( ANR-18-EURE-0021 ). Finally they are grateful to  Alexis JACOB  and  Quentin GIRARDIN  from inalve for their technical support on HPH.
2  e The general procedure of synthesis of 2D hexagonally arranged vertically aligned mesoporous silica thin films with pores containing silver nanoparticles inside pores. The number "N" determines the molar proportions between SiO 2 and functional silver-containing units. In this case, we set N ¼ 4 in order to obtain a relatively high molar concentration of functionalities equal to 20%. cosmic ray removal, and peak fitting analysis were performed using the WiTec Project software package. The small angle X-ray diffraction (XRD) patterns of the functionalized silica films and calcined samples placed on a glass substrate were collected by means of Bruker D8 Advance diffractometer operated at 40 kV and 40 mA in inplane geometry (open Eulerian cradle (OEC)) with 80 F angle. CuKa radiation of wavelength 1.
541 A and fixed slits were used. Scattering at a low-angle range of 1. 5 2q 8 was recorded by applying 0. 03 step size and 250s exposure time. The TEM imaging of the obtained samples was carried out using a JEOL JEM-3010 high-resolution transmission electron microscope (TEM, JEOL Ltd. , Tokyo, Japan) with 300 kV acceleration voltage, equipped with a LaB 6 emission source and Gatan 2k Â 2k Orius TM 833 SC200D CCD camera (Gatan Inc. , Pleasanton, CA, USA). For fitting the electron diffraction patterns, we used Eldyf software (property of the Institute of Material Science of the University of Silesia). Additional TEM images with a local EDS elemental analysis were gathered by the use of FEI Tecnai G2 20 X-TWIN electron microscope, equipped with emission source LaB 6 , CCD camera FEI Eagle 2K, and X-Ray microanalyzer EDS.
Characterization of cobalt ferrite nanoparticles The UV-visible spectra of the solutions were recorded before and after irradiation using a Hewlett-Packard 8453A UV-visible spectrophotometer. The crystalline structures were evaluated by grazing incidence (31) X-ray diffraction performed on a Panalytical X'pert pro MRD diffractometer with Cu Ka radiation (l = 0. 15418 nm). The patterns were obtained by step scanning from 151 to 901 in 2y with an increment of 0. 07521 and a counting time of 1800 s per step. Crystallographic phases were identified according to JCPDS files No. 22-1086 and fitted by MAUD Rietveld refinement software. 40  The LaB 6 -SRM660a standard was used to calibrate the instrument broadening. An isotropic model was used to refine the mean nanoparticle size. During Rietveld refinement, the microstrains and cell parameters were refined to obtain the best reliability factors.
Acknowledgements Z. H. and Y. W. contributed equally to this work. This work was supported by the  National Natural Science Foundation of China  ( 51873134 ,  21902150 ),  Natural Science Basic Research Program of Shaanxi  ( 2022JM-018 ),  Natural Science Foundation of Shaanxi Province  ( 2018JQ5058 ), and Scientific Research Program Funded by  Shaanxi Provincial Education Department  ( 20JK0945 ). The authors thank the photoemission endstations beamline 1W1B station in the  Beijing Synchrotron Radiation Facility (BSRF) ,  BL14W1  at the  Shanghai Synchrotron Radiation Facility  for help with the characterizations. This work is supported by a project of the  DICP-DENS laboratory  for in-situ microscopy applications.
In situ nanofocused spectroscopy Nanofocused in situ XAS experiments were performed at the ID16B beamline at ESRF, France, using hard X-rays (over 5-10 keV) focused to a spot size of ~80 × 100 nm 2 (H × V FWHM). XANES data were first normalized and then analyzed using a customized Python script and the Athena software, respectively, as described elsewhere  41. Scans were acquired from ~8. 93 to 9. 13 keV. For the XRF maps, raster scans of ~3 × 3 µm 2 step sizes with a resolution of 0. 1 × 0. 1 µm 2 were carried out using an exposure time of 100 ms. Nanofocused in situ BCDI experiments were performed at the P10 coherence applications beamline at DESY, Germany, using an X-ray energy of 13. 095 keV with an energy resolution of 1. 12 eV and a bandwidth of δλ/λ ≈ 1. 4 × 10 -4. The X-ray beam was focused to a size of ~1.
2 µm × 0. 85 µm (H × V FWHM). BCDI diffraction data were processed using two Python packages: PyNX  27  for phase retrieval and cdiutils  42  for pre-and post-processing. The phase retrieval involved several steps, including a series of 1000 Relaxed Averaged Alternating Reflections (RAAR  43  ), 200 Hybrid Input/Output steps (HIO  28  ) and 150 Error-Reduction (ER  44  ) steps. The phasing process included a partial coherence algorithm to account for the partially incoherent incoming wave front  45. To ensure the best reconstruction possible, we first selected the ten best reconstructions (with the lowest free log-likelihood  46  ) from 30 with random phase starts. Then, five reconstructions were selected from these ten by selecting the reconstructions with the lowest value of the absolute difference between the maximum and averaged electron density (mean-to-max criterion in the cdiutils package).
Finally, we performed the decomposition into modes from the last five reconstructions  46. In the post-processing stage, the reconstructed object was interpolated onto an orthogonal grid (laboratory frame) for ease of visualization. Isosurface determination and phase unwrapping were then performed. Phase shift adjustments were made to ensure the averaged phase over the isosurface-bounded reconstruction was zero. The code and methods used in this process are available elsewhere  42. For both synchrotron techniques, a custom-made in situ cell was used. Freshly prepared CO 2 -saturated 0. 1 M KHCO 3 electrolyte solution was continuously pumped through the setup (1 mL min -1 ). The working electrode (WE) was located at the center of the cell, which was sealed using a thin (~6 µm) Mylar film. For an optimized cell pressure, the height of the electrolyte reservoir relative to the mounted cell was adjusted.
Acknowledgements The authors thankfully acknowledge financial support from the  European Union 's  Horizon 2020 research and innovation funding program  under grant agreements no. 851441  (SELECTCO2) and no. 101006701  (EcoFuel), as well as from the  Deutsche Forschungsgemeinschaft (German Research Foundation, DFG)  under grant no. STR 596/18-1. M. F. and A. A. thankfully acknowledge financial support by the  Federal Ministry of Education and Research (Bundesministerium fuer Bildung und Forschung, BMBF)  under grant no. 03SF0611A  (H2Meer). L. W. gratefully acknowledges financial support from the  Alexander von Humboldt Foundation. C. A. and M. -I. R. thankfully acknowledge financial support from the  European Research Council (ERC)  under the European Union's  Horizon 2020 research and innovation program  (grant agreement no.