cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1415102792
title: High-rate operando XRD studies on conversion/alloying materials (CAMs) as anodes in Na-ion batteries

description: Conversion/alloying materials (CAMs) as anodes for Na-ion batteries (NIBs) offer higher capacities than conventional intercalation materials but struggle with stability over many cycles. Their complex cycling mechanism, undergoing through a series of transformations combining crystalline and amorphous phases, make CAMs challenging to understand on the basis of chemical structures even with the most informative operando techniques. We have recently observed that Sb-based CAMs have surprisingly high capacity at high charge rates, and preliminary operando XRD results suggest that this may be because of different cycling mechanisms compared to slower charge rates, suggesting that kinetics plays a crucial role in the formation of certain phases during cycling. Thus, this experiment will focus on elucidating the main structural differences in the reaction mechanism of a selection of Sb-based CAMs and their Bi- and Sn-analogues as a function of the applied cycling rates with operando XRD.
DOI: 10.15151/esrf-es-1432402546
title: Cu homeostasis disruptions in cancer cells triggered by innovative Cu(I) ionophores

description: Cu is an essential trace element for Human. As free Cu is highly detrimental, the cell develops homeostasis mechanisms to control Cu load. However, Cu homeostasis can be affected in pathologies such as in cancer where Cu increase has been observed. This prompts the need to understand the mechanisms underlying these phenomena, and to further develop anti-Cu therapeutic strategies. Recently, we developed innovative compounds that transport Cu(I) ions and we proved that they can kill cancer cells. To deepen our understanding of both Cu homeostasis in cancer cells and the mechanism of action of our compounds, we aim to study Cu subcellular distribution. To reach these objectives, we plan to perform X-ray fluorescence microscopy on healthy vs cancer cells in cryogenic conditions as well as on cancer cells exposed to a Cu-transporting compound with anticancer activity. These data will reveal the differences in Cu distribution in cancer cells and the pool(s) of Cu affected by our compounds.
DOI: 10.15151/esrf-es-1432403621
title: Dynamics of Pt oxidation and reduction upon square wave excitation in fuel cells

description: Pt and Pt alloy catalysts are used at the cathode of proton exchange membrane fuel cells to reduce O2 into H2O. Their activities are dependent on the O adsorption energy EOads, which is governed by its d-band centre according to the DFT calculations. Alloys raise the d-band centre and therefore reduce EOads, improving the activity in oxygen reduction reaction (ORR). However, this understanding is mainly gained from steady state measurement and is lack of measurement on the surface dynamics. Here we will measure the transient catalyst response upon rapid switching of electrochemical potentials via Pt L3 and Co K edge quick XAFS measurement. This study will determine 1) the rate of Pt and Co oxidation and reduction upon different electrochemical potentials; 2) the dynamics of Pt and Co local coordination environment; 3) the dynamics of surface adsorbed O species via difference XANES. This study is of fundamental importance to determine and quantify the rate of surface reaction.
DOI: 10.15151/esrf-es-1439595656
title: Understanding the Doping Modification of High-Ni and Low-Co Oxide Materials by probing the structural and chemical properties using X-ray p

description: This necessitates the localized probes to comprehensively investigate the structural and chemical evolution of electrodes during battery cycling, revealing how the complex interplay among void formation, interphase growth affects battery properties, such as cycle life and safety. Herein, we propose to combine hard x-ray phase contrast nano-tomography and advanced machine learning approaches to systematically investigate the morphological and chemical behaviours at doped High-Nickel and Low-Cobalt cathodes interphases that are subjected to different cycling protocols. By characterizing the electrode with high spatial resolution and associating with the chemomechanical reactivity and morphological deformation of hundreds to thousands of identified active doped High-Nickel and Low-Cobalt cathodes particles, we aim to develop a theoretical inter- and intra- particle model that could predict the mechanical failure in the high-Ni and low-Co cathode.
DOI: 10.15151/esrf-es-1432220977
title: Investigation of the oxidation state and coordination sphere of gold-based drug candidates cultured in 2D cells by cryo-X-Ray Absorption Spe

description: Organometallic gold complexes bearing biphenyl and diphosphine chelating ligands of the general formula [(C^C)Au(P^P)]+ present antiproliferative activities in the submicromolar range. We could demonstrate by various techniques including mass spectrometry and cryo-XRF mapping (ESRF, LS-3136) these complexes to be stable inside lung cancer cells and to accumulate selectively in mitochondria. We apply for beamline time at FAME UHD to perform cryo-X-Ray Absorption Spectroscopy measurements on treated cancer cells with our [(C^C)Au(P^P)]+ gold complex in order to confirm its intracellular stability by the mean of the determination of the oxidation state and first coordination sphere of the gold ion. This would represent the first speciation study of gold(III) complexes inside cancer cells
DOI: 10.15151/esrf-es-1432224502
title: Time resolved Sintering Study of PdPt Alloy Nanoparticles Supported on Al2O3 During Methane Oxidation

description: With the end of production of conventional gasoline and diesel engines as legislated by the European Parliament, alternatives like biofuels and natural gas engines will become more important in coming years. However, methane is a greenhouse gas with a 20-times higher impact than CO2. Thus, it is vital to eliminate methane from exhaust gas for which PdPt alloy particles are most commonly used. 
In our last experiment CH-6401 we observed severe sintering at the onset of methane production. With this experiment we plan to investigate this sintering process time resolved under reaction conditions for different alloy compositions and gas compositions. With the gathered information we will be able to supply collaborators within our special research project CRC 1441 with vital information for modelling sintering processes and reactivity in the complete parameter space of temperature, gas composition, and alloy composition.
DOI: 10.6084/m9.figshare.7884056.v1
title: Additional file 1: of LUADpp: an effective prediction model on prognosis of lung adenocarcinomas based on somatic mutational features

description: Table S1. 3-year survival data and classification. Table S2. Comparison of gene somatic mutation rates between good and poor prognosis groups. Table S3. TNM staging information of LUAD cases with both survival and genome data. Table S4. Comparison of gene somatic mutation rates between good and poor prognosis sub-groups of LUAD cases diagnosed at early stage. Table S5. Comparison of gene somatic mutation rates between good and poor prognosis sub-groups of LUAD cases diagnosed at later stage. (XLSX 912 kb)
DOI: 10.6084/m9.figshare.22616512.v1
title: Additional file 3 of Transcriptomic analysis reveals the dynamic changes of transcription factors during early development of chicken embryo

description: Additional file 3: Table S2. Distribution of TFs in genome.
DOI: 10.15151/esrf-es-1432052951
title: Growth and structure of thin CuO films in epitaxy on STO(001)

description: CuO is monoclinic and exhibits two antiferromagnetic phases, a polar incommensurate antiferromagnetic and multiferroic (AF2) one below TN=230 K and a non-polar commensurate AF1 phase below TN=213 K. We will grow thin CuO films in epitaxy on STO(001), study the structure by GIXRD and correlate it with their properties. Magnetic properties of transition metal oxides depend on the super-exchange interaction, which is function of the structure. The key parameter here is the Cu-O-Cu bonding angle. We want to push up the ferroelectrics Curie temperature by epitaxially induced strains. Samples will be grown by a two steps process, MBE Cu deposition (in situ) followed by post-annealing in oxygen at atmospheric pressure (ex situ).
DOI: 10.15151/esrf-es-1432053769
title: Ultrafast Dynamics of Photo-induced Phase Transition in Transition Metal Molecular Materials Studied by Streaming Crystallography

description: We propose to investigate the dynamics of ultrafast and non-reversible photo-induced phase transitions using the “streaming crystallography” technique developed during our previous beamtimes (CH-6492 and CH-6162), that enables real time study of photo-induced phase transitions in molecular materials, within or outside thermal hysteresis. Previous experiments on Co-doped MnFe Prussian Blue Analogues revealed that conversion is completed within 200 ps, with global symmetry change driven by elastic cooperativity. Investigations at variable temperatures show only a very gentle effect in the transformation dynamics. To get better control of the phase transition, we propose here to modulate elastic properties of the crystals, by varying its composition (through doping) and by switching from bulk to surface excitation. Additionally, measurements will be performed on spin-crossover compounds, where the phase transition can occur with or without symmetry change, depending on composition.
DOI: 10.15151/esrf-es-1432054954
title: In-situ XAS measurements as a new approach to probe metal extraction from magmas: Distribution and speciation of Cu in fluid+melt systems

description: The transition to a zero-emission economy requires the access to a growing amount of metals as Cu to construct new energy systems and connect them together. In such context, a better understanding of ore-forming processes is necessary to explore for new resources and develop more sustainable mining operations.
Here, we propose to investigate how and to which extent fluids released by magma degassing can concentrate Cu to later form porphyry and epithermal ore deposits. In particular, we will conduct in-situ HERFD-XAS measurements in a transparent autoclave to determine the speciation and distribution of Cu between magmatic fluids and rhyolitic, dacitic and andesitic melts to 1000C and 1kbar.
DOI: 10.6084/m9.figshare.19418287.v1
title: Additional file 11 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 10. Experimental summary and metadata table of all process parameters.
DOI: 10.6084/m9.figshare.19418293.v1
title: Additional file 3 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 2. Comparison of prediction accuracy of different algorithms using the mAML machine learning pipeline for classification.
DOI: 10.15151/esrf-es-1431910790
title: Operando XAS-XRD-PDF studies of structurally modified indium oxide during CO2 hydrogenation to methanol to reveal the atomic scale structur

description: The direct hydrogenation of CO2 to methanol offers the potential to convert a major greenhouse gas into a useful energy carrier, yet its industrial implementation is hampered by the limited stability and selectivity of the traditionally employed Cu-based catalysts. Reducible metal oxides, for instance indium oxide, have shown promising catalytic performance for the hydrogenation of CO2 to methanol. However, their active sites, the prevailing reaction pathways, and the deactivation mechanisms are understudied so far. Here, we will use systematically modified indium oxide nanoparticles (via structural doping) as well-defined materials to gain
atomic level understanding of the functioning catalyst at different stages (active and deactivated).
DOI: 10.6084/m9.figshare.22616518
title: Additional file 5 of Transcriptomic analysis reveals the dynamic changes of transcription factors during early development of chicken embryo

description: Additional file 5: Table S4. Go enrichment of DE-TF in different stages.
DOI: 10.6084/m9.figshare.23612439.v1
title: Additional file 2 of Integrated multi-omics analysis reveals variation in intramuscular fat among muscle locations of Qinchuan cattle

description: Additional file 2.
DOI: 10.17909/69kk-bt84
title: Data from Simultaneous Photometric and Spectroscopic Analysis of V505 Lacertae, a Photospherically and Chromospherically Active Contact Binary Star

description: TESS photometric data for V505 Lac, which was obtained in Sectors 16, 56, and 57.
DOI: 10.6084/m9.figshare.21515083.v1
title: Additional file 2 of A haplotype-resolved genome assembly of the Nile rat facilitates exploration of the genetic basis of diabetes

description: Additional file 2: Supplementary Table 1. TOGA status of 18430 ancestral placental mammal genes in muroid rodent genome assemblies. Supplementary Table 2. Positively selected genes and their mutation tolerance in humans according to gnomAD.
DOI: 10.6084/m9.figshare.13126484
title: Additional file 2 of Considerations for feature selection using gene pairs and applications in large-scale dataset integration, novel oncogene discovery, and interpretable cancer screening

description: Additional file 2. Top gene pairs (ER status). This file contains raw calculated data of the top 100 gene pairs and feature selection scores for the ER-positive and ER-negative comparison.
DOI: 10.6084/m9.figshare.19418293
title: Additional file 3 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 2. Comparison of prediction accuracy of different algorithms using the mAML machine learning pipeline for classification.
DOI: 10.6084/m9.figshare.19418427
title: Additional file 1 of Human induced-T-to-natural killer cells have potent anti-tumour activities

description: Additional file 1: Table S1. Downregulated differential expression genes (DEGs) in CD4 ITNKs compared to CD4 T cells, |Log2FC| &gt; 1, padj&lt; 0.05.
DOI: 10.6084/m9.figshare.19418430.v1
title: Additional file 2 of Human induced-T-to-natural killer cells have potent anti-tumour activities

description: Additional file 2: Table S2. KEGG analysis of differential expression genes (DEGs) in CD8 ITNKs compared to CD8 T cells.
DOI: 10.6084/m9.figshare.19418302.v1
title: Additional file 6 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 5: Dataset S3. Functional annotations of chain elongation for MAGs with the same taxonomy as HRT bioindicators.
DOI: 10.6084/m9.figshare.19418433
title: Additional file 3 of Human induced-T-to-natural killer cells have potent anti-tumour activities

description: Additional file 3: Table S3. Upregulated differential expression genes (DEGs) in ITNKs compared to NK cells, |Log2FC| &gt; 1, pval&lt; 0.05.
DOI: 10.6084/m9.figshare.21515109
title: Additional file 3 of Genetically predicted telomere length and Alzheimer’s disease endophenotypes: a Mendelian randomization study

description: Additional file 3: Supplementary Table 1. Characteristics of the study participants with information for cognition outcomes. Mean and SD are shown for continuous variables. Supplementary Table 2. Characteristics of the study participants with information for neuroimaging outcomes. Mean and SD are shown for continuous variables. Supplementary Table 3. Characteristics of the study participants with information for CSF biomarkers. Mean and SD are shown for continuous variables.
DOI: 10.6084/m9.figshare.21515115.v1
title: Additional file 5 of Genetically predicted telomere length and Alzheimer’s disease endophenotypes: a Mendelian randomization study

description: Additional file 5: Supplementary Figure 1. Leave-one-out permutation analysis plot for AD signature among individuals at high genetic predisposition to AD obtained by leaving out the SNP indicated and repeating the Inverse-Variance Weighted method with the rest of the instrumental variables. Supplementary Figure 2. Leave-one-out permutation analysis plot for Aging signature among individuals at high genetic predisposition to AD, obtained by leaving out the SNP indicated and repeating the Inverse-Variance Weighted method with the rest of the instrumental variables. Supplementary Figure 3. Leave-one-out permutation analysis plot for Aβ ratio among APOE-ɛ4 non-carriers obtained by leaving out the SNP indicated and repeating the Inverse-Variance Weighted method with the rest of the instrumental variables. Supplementary Figure 4. Leave-one-out permutation analysis plot for NfL among APOE-ɛ4 non-carriers obtained by leaving out the SNP indicated and repeating the Inverse-Variance Weighted method with the rest of the instrumental variables. Supplementary Figure 5. Leave-one-out permutation analysis plot for p-tau among individuals at high genetic predisposition to AD, obtained by leaving out the SNP indicated and repeating the Inverse-Variance Weighted method with the rest of the instrumental variables.
DOI: 10.6084/m9.figshare.19418305.v1
title: Additional file 7 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 6: Dataset S4. Functional annotations of xylose fermentation for all MAGs.
DOI: 10.6084/m9.figshare.19418308
title: Additional file 8 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 7: Dataset S5. Functional annotations of chain elongation for all MAGs.
DOI: 10.6084/m9.figshare.23612517
title: Additional file 2 of An analysis of clinical characteristics and prognosis of endometrioid ovarian cancer based on the SEER database and two centers in China

description: Additional file 2: Figure S1. Flowchart of the selection for patients with endometrioid ovarian carcinoma. Figure S2. The calibration curves of one-year, three-year and five-year overall survival of the nomogram. Figure S3. Distribution of age, FIGO stage and grade of EOVC patients of the SEER database (N=884) and our centers (N=87).
DOI: 10.6084/m9.figshare.23612517.v1
title: Additional file 2 of An analysis of clinical characteristics and prognosis of endometrioid ovarian cancer based on the SEER database and two centers in China

description: Additional file 2: Figure S1. Flowchart of the selection for patients with endometrioid ovarian carcinoma. Figure S2. The calibration curves of one-year, three-year and five-year overall survival of the nomogram. Figure S3. Distribution of age, FIGO stage and grade of EOVC patients of the SEER database (N=884) and our centers (N=87).
DOI: 10.6084/m9.figshare.19418296.v1
title: Additional file 4 of Machine learning-assisted identification of bioindicators predicts medium-chain carboxylate production performance of an anaerobic mixed culture

description: Additional file 3: Dataset S1. MAGs taxonomy and genome metrics.
DOI: 10.6084/m9.figshare.13126484.v1
title: Additional file 2 of Considerations for feature selection using gene pairs and applications in large-scale dataset integration, novel oncogene discovery, and interpretable cancer screening

description: Additional file 2. Top gene pairs (ER status). This file contains raw calculated data of the top 100 gene pairs and feature selection scores for the ER-positive and ER-negative comparison.
DOI: 10.5517/ccdc.csd.cc206svw
title: CCDC 1853578: Experimental Crystal Structure Determination

description: Related Article: Di-Zhong Zheng, Dong-Hui Li, Huan Liu, Youxiang Shao, Zhuofeng Ke, Feng-Shou Liu|2022|Organometallics|41|948|doi:10.1021/acs.organomet.2c00007
DOI: 10.5517/ccdc.csd.cc28m7hn
title: CCDC 2103861: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Ya You, Pu Zhao, Bo Ding, Nan Zhang, Zhong-Yi Liu, En-Cui Yang, Xiao-Jun Zhao|2022|Inorg.Chem.Commun.|140|109461|doi:10.1016/j.inoche.2022.109461
DOI: 10.5517/ccdc.csd.cc28m7jp
title: CCDC 2103862: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Ya You, Pu Zhao, Bo Ding, Nan Zhang, Zhong-Yi Liu, En-Cui Yang, Xiao-Jun Zhao|2022|Inorg.Chem.Commun.|140|109461|doi:10.1016/j.inoche.2022.109461
DOI: 10.5517/ccdc.csd.cc25hmfr
title: CCDC 2011014: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Zhenbo Mo, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2022|J.Am.Chem.Soc.|144|6972|doi:10.1021/jacs.2c01851
DOI: 10.5517/ccdc.csd.cc25hmcp
title: CCDC 2011012: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Zhenbo Mo, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2022|J.Am.Chem.Soc.|144|6972|doi:10.1021/jacs.2c01851
DOI: 10.5517/ccdc.csd.cc25kqp5
title: CCDC 2013037: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Zhenbo Mo, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2022|J.Am.Chem.Soc.|144|6972|doi:10.1021/jacs.2c01851
DOI: 10.5517/ccdc.csd.cc25hmgs
title: CCDC 2011015: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Zhenbo Mo, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2022|J.Am.Chem.Soc.|144|6972|doi:10.1021/jacs.2c01851
DOI: 10.5517/ccdc.csd.cc25hmht
title: CCDC 2011016: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Zhenbo Mo, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2022|J.Am.Chem.Soc.|144|6972|doi:10.1021/jacs.2c01851
DOI: 10.5517/ccdc.csd.cc2bf4vs
title: CCDC 2157595: Experimental Crystal Structure Determination

description: Related Article: Haonan Xu, Bin Lei, Xin Zhang|2022|Dyes Pigm.|203|110337|doi:10.1016/j.dyepig.2022.110337
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title: CCDC 2144667: Experimental Crystal Structure Determination

description: Related Article: Bappaditya Gole, Brice Kauffmann, Arnaud Tron, Victor Maurizot, Nathan McClenaghan, Ivan Huc, Yann Ferrand|2022|J.Am.Chem.Soc.|144|6894|doi:10.1021/jacs.2c01269
DOI: 10.5517/ccdc.csd.cc29zpnn
title: CCDC 2144662: Experimental Crystal Structure Determination

description: Related Article: Bappaditya Gole, Brice Kauffmann, Arnaud Tron, Victor Maurizot, Nathan McClenaghan, Ivan Huc, Yann Ferrand|2022|J.Am.Chem.Soc.|144|6894|doi:10.1021/jacs.2c01269
DOI: 10.5517/ccdc.csd.cc29zppp
title: CCDC 2144663: Experimental Crystal Structure Determination

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DOI: 10.5517/ccdc.csd.cc29zpss
title: CCDC 2144666: Experimental Crystal Structure Determination

description: Related Article: Bappaditya Gole, Brice Kauffmann, Arnaud Tron, Victor Maurizot, Nathan McClenaghan, Ivan Huc, Yann Ferrand|2022|J.Am.Chem.Soc.|144|6894|doi:10.1021/jacs.2c01269
DOI: 10.48370/ofd/8dqdkx/0c1ipj
title: IBL_coll_2876_SicistaBetulina_1948_scan.jpg

description: :unav
DOI: 10.5281/zenodo.6523893
title: Butastur rufipennis SPAdes preassembly

description: .
DOI: 10.48370/ofd/8dqdkx
title: Sicista betulina - IBL_2876, Zoological collection of the Mammal Research Institute, PAS

description: Sicista betulina (Northern birch mouse) from Zoological collection of the Mammal Research Institute PAS. Collected 1948-05-18, in: Białowieża National Park, Poland.
DOI: 10.5281/zenodo.6523892
title: Butastur rufipennis SPAdes preassembly

description: .
DOI: 10.48370/ofd/3vryme/lyhouw
title: IBL_coll_70_SorexMinutus_1946_scan.jpg

description: :unav