Abstract: Abstract Background Mitochondria require thousands of proteins to fulfill their essential function in energy production and other fundamental biological processes. These proteins are mostly encoded by the nuclear genome, translated in the cytoplasm before being imported into the organelle. RNA binding proteins (RBPs) are central players in the regulation of this process by affecting mRNA translation, stability, or localization. CLUH is an RBP recognizing specifically mRNAs coding for mitochondrial proteins, but its precise molecular function and interacting partners remain undiscovered in mammals. Results Here we reveal for the first time CLUH interactome in mammalian cells. Using both co-IP and BioID proximity-labeling approaches, we identify novel molecular partners interacting stably or transiently with CLUH in HCT116 cells and mouse embryonic stem cells. We reveal stable RNA-independent interactions of CLUH with itself and with SPAG5 in cytosolic granular structures. More importantly, we uncover an unexpected proximity of CLUH to mitochondrial proteins and their cognate mRNAs in the cytosol. We show that this interaction occurs during the process of active translation and is dependent on CLUH TPR domain. Conclusions Overall, through the analysis of CLUH interactome, our study sheds a new light on CLUH molecular function by revealing new partners and by highlighting its link to the translation and subcellular localization of some mRNAs coding for mitochondrial proteins.

The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 10:. Table S5. mESCs-EB BioID spectral count data.

Additional file 10 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 11:. Table S6. HCT116-mito proteome spectral count data.

Additional file 11 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 14:. Table S7. HCT116 TurboID spectral count data.

Additional file 14 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 17:. Table S8. Plasmids used in the study.

Additional file 17 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 18:. Table S9. Oligonucleotides used in the study.

Additional file 18 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 19:. Table S10. Antibodies used in the study.

Additional file 19 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 2:. Table S1. HCT116 Co-IP spectral count data.

Additional file 2 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 3:. Table S2. mESCs Co-IP spectral count data.

Additional file 3 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 7:. Table S3. HCT116 BioID spectral count data.

Additional file 7 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


Abstract: Additional file 9:. Table S4. mESCs-ES BioID spectral count data.

Additional file 9 of The interactome of CLUH reveals its association to SPAG5 and its co-translational proximity to mitochondrial proteins;Mickaële Hémono;2022;figshare


CCDC 2044262: Experimental Crystal Structure Determination;Kniazeva, Mariia V.;2021;Cambridge Crystallographic Data Centre

Related Article: Mariia V. Kniazeva, Alexander S. Ovsyannikov, Beata Nowicka, Nathalie Kyritsakas, Aida I. Samigullina, Aidar T. Gubaidullin, Daut R. Islamov, Pavel V. Dorovatovskii, Elena V. Popova, Sofiya R. Kleshnina, Svetlana E. Solovieva, Igor S. Antipin, Sylvie Ferlay|2022|CrystEngComm|24|330|doi:10.1039/D1CE01361K


CCDC 2044261: Experimental Crystal Structure Determination;Kniazeva, Mariia V.;2021;Cambridge Crystallographic Data Centre


CCDC 2081294: Experimental Crystal Structure Determination;Gosset, Alexis;2021;Cambridge Crystallographic Data Centre

Related Article: Alexis Gosset, Štěpánka Nováková Lachmanová, Sawsen Cherraben, Gildas Bertho, Jérémy Forté, Christian Perruchot, Henri-Pierre Jacquot Rouville, Lubomír Pospíšil, Magdaléna Hromadová, Éric Brémond, Philippe P. Lainé|2021|Chem.-Eur.J.|27|17889|doi:10.1002/chem.202103136


CCDC 2096929: Experimental Crystal Structure Determination;Scarpi-Luttenauer, Matthieu;2021;Cambridge Crystallographic Data Centre

Related Article: Matthieu Scarpi-Luttenauer, Nathalie Kyritsakas  Alain Chaumont, Pierre Mobian|2021|Chem.-Eur.J.|27|17910|doi:10.1002/chem.202103235


CCDC 2096930: Experimental Crystal Structure Determination;Scarpi-Luttenauer, Matthieu;2021;Cambridge Crystallographic Data Centre


CCDC 2096931: Experimental Crystal Structure Determination;Scarpi-Luttenauer, Matthieu;2021;Cambridge Crystallographic Data Centre


CCDC 2096932: Experimental Crystal Structure Determination;Scarpi-Luttenauer, Matthieu;2021;Cambridge Crystallographic Data Centre


CCDC 2096933: Experimental Crystal Structure Determination;Scarpi-Luttenauer, Matthieu;2021;Cambridge Crystallographic Data Centre


CCDC 2116550: Experimental Crystal Structure Determination;Gonsales, Stella A.;2021;Cambridge Crystallographic Data Centre

Related Article: Stella A. Gonsales, Zoé C. Mueller, Fengyue Zhao, Paulo H. S. Paioti, Lydia Karmazin, Jing Wan, Fang Liu, K. N. Houk, Amir H. Hoveyda|2021|J.Am.Chem.Soc.|143|20640|doi:10.1021/jacs.1c11453


CCDC 2116551: Experimental Crystal Structure Determination;Gonsales, Stella A.;2021;Cambridge Crystallographic Data Centre


CCDC 2116552: Experimental Crystal Structure Determination;Gonsales, Stella A.;2021;Cambridge Crystallographic Data Centre


CCDC 2116553: Experimental Crystal Structure Determination;Gonsales, Stella A.;2021;Cambridge Crystallographic Data Centre


CCDC 2116554: Experimental Crystal Structure Determination;Gonsales, Stella A.;2021;Cambridge Crystallographic Data Centre


CCDC 2099939: Experimental Crystal Structure Determination;Lanzi, Matteo;2021;Cambridge Crystallographic Data Centre

Related Article: Matteo Lanzi, Racha Abed Ali Abdine, Maxime De Abreu, Joanna Wencel-Delord|2021|Org.Lett.|23|9047|doi:10.1021/acs.orglett.1c03278


CCDC 2099940: Experimental Crystal Structure Determination;Lanzi, Matteo;2021;Cambridge Crystallographic Data Centre


CCDC 2089518: Experimental Crystal Structure Determination;Das, Agnideep;2021;Cambridge Crystallographic Data Centre

Related Article: Agnideep Das, Hannah Jobelius, Jules Schleinitz, Stefani Gamboa-Ramirez, Geordie Creste, Gwendal Kervern, Jesus Raya, Nolwenn Le Breton, Aurélie Guénet, Zahia Boubegtiten-Fezoua, Laurence Grimaud, Maylis Orio, Guillaume Rogez, Petra Hellwig, Sylvie Choua, Sylvie Ferlay, Marine Desage-El Murr|2021|Inorg.Chem.Front.|8|5286|doi:10.1039/D1QI01131F

7,8-dihydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-5-ium bromide methanol solvate


CCDC 2089519: Experimental Crystal Structure Determination;Das, Agnideep;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Amplifications of oncogenic genes are often considered actionable. However, not all patients respond. Questions have therefore arisen regarding the degree to which amplifications, especially non-focal ones, mediate overexpression. We found that a subset of high-level gene amplifications (≥ 6 copies) (from The Cancer Genome Atlas database) was not over-expressed at the RNA level. Unexpectedly, focal amplifications were more frequently silenced than non-focal amplifications. Most non-focal amplifications were not silenced; therefore, non-focal amplifications, if over-expressed, may be therapeutically tractable. Furthermore, specific silencing of high-level focal or non-focal gene amplifications may explain resistance to drugs that target the relevant gene product.

Therapeutic implications of cancer gene amplifications without mRNA overexpression: silence may not be golden;Amélie Boichard;2021;figshare


Abstract: Abstract Background Gastrointestinal nematodes are ubiquitous for both domestic and wild ungulates and have varying consequences for health and fitness. They exist as complex communities of multiple co-infecting species, and we have a limited understanding of how these communities vary in different hosts, regions and circumstances or of how this affects their impacts. Methods We have undertaken ITS2 rDNA nemabiome metabarcoding with next-generation sequencing on populations of nematode larvae isolated from 149 fecal samples of roe deer of different sex and age classes in the two isolated populations of Chizé and Trois Fontaines in France not co-grazing with any domestic ungulate species. Results We identified 100 amplified sequence variants (ASVs) that were assigned to 14 gastrointestinal nematode taxa overall at either genus (29%) or species (71%) level. These taxa were dominated by parasites classically found in cervids—e.g. Ostertagia leptospicularis, Spiculopteragia spp. Higher parasite species diversity was present in the Trois Fontaines population than in the Chizé population including the presence of species more typically seen in domestic livestock (Haemonchus contortus, Bunostomum sp., Cooperia punctata, Teladorsagia circumcincta). No differences in parasite species diversity or community composition were seen in the samples collected from three zones of differing habitat quality within the Chizé study area. Young roe deer hosted the highest diversity of gastrointestinal nematodes, with more pronounced effects of age apparent in Trois Fontaines. The effect of host age differed between gastrointestinal nematode species, e.g. there was little effect on O. leptospicularis but a large effect on Trichostrongylus spp. No effect of host sex was detected in either site. Conclusions The presence of some livestock parasite species in the Trois Fontaines roe deer population was unexpected given the isolation of this population away from grazing domestic livestock since decades. Overall, our results illustrate the influence of host traits and the local environment on roe deer nemabiome and demonstrate the power of the nemabiome metabarcoding approach to elucidate the composition of gastrointestinal nematode communities in wildlife. Graphical Abstract

Metabarcoding in two isolated populations of wild roe deer (Capreolus capreolus) reveals variation in gastrointestinal nematode community composition between regions and among age classes;Camille Beaumelle;2021;figshare


CCDC 2073141: Experimental Crystal Structure Determination;Debrauwer, Vincent;2021;Cambridge Crystallographic Data Centre

Related Article: Vincent Debrauwer, Ivo Leito, Märt Lõkov, Sofja Tshepelevitsh, Michael Parmentier, Nicolas Blanchard, Vincent Bizet|2021|ACS Org. Inorg. Au|1|43|doi:10.1021/acsorginorgau.1c00010


CCDC 2073142: Experimental Crystal Structure Determination;Debrauwer, Vincent;2021;Cambridge Crystallographic Data Centre


CCDC 2073143: Experimental Crystal Structure Determination;Debrauwer, Vincent;2021;Cambridge Crystallographic Data Centre


CCDC 2040876: Experimental Crystal Structure Determination;Milovanović, Milan R.;2021;Cambridge Crystallographic Data Centre

Related Article: Milan R. Milovanović, Mélanie Boucher, Yann Cornaton, Snežana D. Zarić, Michel Pfeffer, Jean-Pierre Djukic|2021|Eur.J.Inorg.Chem.|2021|4690|doi:10.1002/ejic.202100750


CCDC 2040877: Experimental Crystal Structure Determination;Milovanović, Milan R.;2021;Cambridge Crystallographic Data Centre


CCDC 2094663: Experimental Crystal Structure Determination;Rabbani, Ramin;2021;Cambridge Crystallographic Data Centre

Related Article: Ramin Rabbani, Sima Saeedi, Md Nazimuddin, Héctor Barbero, Nathalie Kyritsakas, Travis A. White, Eric Masson|2021|Chemical Science|12|15347|doi:10.1039/D1SC03743A

cucurbit[8]uril bis(chloro-[24-(4-methylphenyl)-12,22:26,32-terpyridine]-platinum) unknown solvate


Abstract:
This dataset contains key characteristics about the data described in the Data Descriptor ProMetIS, deep phenotyping of mouse models by combined proteomics and metabolomics analysis.
 Contents:
 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format

Metadata record for: ProMetIS, deep phenotyping of mouse models by combined proteomics and metabolomics analysis;Scientific Data Curation Team;2021;figshare


Abstract: Guinea fowl fulminating enteritis has been reported in France since the 1970s. In 2014, a coronavirus was identified and appeared as a possible viral pathogen involved in the disease. In the present study, intestinal content from a guinea fowl involved in a new case of the disease in 2017 was analysed by deep sequencing, revealing the presence of a guinea fowl coronavirus (GfCoV) and a picornavirus (GfPic). Serial passage assays into the intra-amniotic cavity of 13-day-old specific pathogen-free chicken eggs and 20-day-old conventional guinea fowl eggs were attempted. In chicken eggs, isolation assays failed, but in guinea fowl eggs, both viruses were successfully obtained. Furthermore, two GfCoV and two GfPic isolates were obtained from the same bird but from different sections of its intestines. This shows that using eggs of the same species, in which the virus has been detected, can be the key for successful isolation. The consensus sequence of the full-length genomes of both GfCoV isolates was highly similar, and correlated to those previously described in terms of genome organization, ORF length and phylogenetic clustering. According to full-length genome analysis and the structure of the Internal Ribosome Entry Site, both GfPic isolates belong to the Anativirus genus and specifically the species Anativirus B. The availability of the first isolates of GfCoV and GfPic will now provide a means of assessing their pathogenicity in guinea fowl in controlled experimental conditions and to assess whether they are primary viral pathogens of the disease “guinea fowl fulminating enteritis”. RESEARCH HIGHLIGHTSFirst isolation of guinea fowl coronaviruses and picornaviruses.Eggs homologous to the infected species are key for isolation.Isolates available to precisely evaluate the virus roles in fulminating enteritis.First full-length genome sequences of guinea fowl picornaviruses. First isolation of guinea fowl coronaviruses and picornaviruses. Eggs homologous to the infected species are key for isolation. Isolates available to precisely evaluate the virus roles in fulminating enteritis. First full-length genome sequences of guinea fowl picornaviruses.

Description of the first isolates of guinea fowl corona and picornaviruses obtained from a case of guinea fowl fulminating enteritis;Céline Courtillon;2021;Taylor & Francis

Earth and related environmental sciences


CCDC 2109006: Experimental Crystal Structure Determination;Barloy, L.;2021;Cambridge Crystallographic Data Centre

Related Article: L. Barloy, B. Heinrich, M. Scarpi-Luttenauer, L. Douce, M. Henry, G. Khalil, D. Klein, N. Kyritsakas, P. Mobian|2021|Dalton Trans.|50|17008|doi:10.1039/D1DT03172D


CCDC 2109007: Experimental Crystal Structure Determination;Barloy, L.;2021;Cambridge Crystallographic Data Centre


CCDC 2109008: Experimental Crystal Structure Determination;Barloy, L.;2021;Cambridge Crystallographic Data Centre


3D characterisation of fatigue cracks during torsion experiments;Franck MOREL;2024;European Synchrotron Radiation Facility


CCDC 2087823: Experimental Crystal Structure Determination;Holub, Jan;2021;Cambridge Crystallographic Data Centre

Related Article: Jan Holub, Antonio Santoro, Mihail-Adrian Stadler, Jean-Marie Lehn|2021|Inorg.Chem.Front.|8|5054|doi:10.1039/D1QI01084K


CCDC 2087825: Experimental Crystal Structure Determination;Holub, Jan;2021;Cambridge Crystallographic Data Centre


CCDC 2087826: Experimental Crystal Structure Determination;Holub, Jan;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background Ab initio prediction of splice sites is an essential step in eukaryotic genome annotation. Recent predictors have exploited Deep Learning algorithms and reliable gene structures from model organisms. However, Deep Learning methods for non-model organisms are lacking. Results We developed Spliceator to predict splice sites in a wide range of species, including model and non-model organisms. Spliceator uses a convolutional neural network and is trained on carefully validated data from over 100 organisms. We show that Spliceator achieves consistently high accuracy (89–92%) compared to existing methods on independent benchmarks from human, fish, fly, worm, plant and protist organisms. Conclusions Spliceator is a new Deep Learning method trained on high-quality data, which can be used to predict splice sites in diverse organisms, ranging from human to protists, with consistently high accuracy.

Spliceator: multi-species splice site prediction using convolutional neural networks;Nicolas Scalzitti;2021;figshare


Abstract: Abstract Rationalizing the identification of hidden similarities across the repertoire of druggable protein cavities remains a major hurdle to a true proteome-wide structure-based discovery of novel drug candidates. We recently described a new computational approach (ProCare), inspired by numerical image processing, to identify local similarities in fragment-based subpockets. During the validation of the method, we unexpectedly identified a possible similarity in the binding pockets of two unrelated targets, human tumor necrosis factor alpha (TNF-α) and HIV-1 reverse transcriptase (HIV-1 RT). Microscale thermophoresis experiments confirmed the ProCare prediction as two of the three tested and FDA-approved HIV-1 RT inhibitors indeed bind to soluble human TNF-α trimer. Interestingly, the herein disclosed similarity could be revealed neither by state-of-the-art binding sites comparison methods nor by ligand-based pairwise similarity searches, suggesting that the point cloud registration approach implemented in ProCare, is uniquely suited to identify local and unobvious similarities among totally unrelated targets.

Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision;Merveille Eguida;2021;figshare


Abstract: Additional file 2. Tables S1–S3, performance results of donor and acceptor models

Additional file 2 of Spliceator: multi-species splice site prediction using convolutional neural networks;Nicolas Scalzitti;2021;figshare


CCDC 2087824: Experimental Crystal Structure Determination;Holub, Jan;2021;Cambridge Crystallographic Data Centre


CCDC 2096156: Experimental Crystal Structure Determination;Dekhtiarenko, Maksym;2021;Cambridge Crystallographic Data Centre

Related Article: Maksym Dekhtiarenko, Simon Pascal, Mourad Elhabiri, Valerie Mazan, David Canevet, Magali Allain, Vincent Carré, Frédéric Aubriet, Zoia Voitenko, Marc Sallé, Olivier Siri, Sébastien Goeb|2021|Chem.-Eur.J.|27|15922|doi:10.1002/chem.202103039


Abstract: Abstract Background Although simulation-based assessment (SBA) is being implemented in numerous medical education systems, it is still rarely used for undergraduate medical students in France. Objective structured clinical examinations (OSCEs) will be integrated into the national medical curriculum in 2021. In 2016 and 2017, we created a mannequin SBA to validate medical students’ technical and psychometric skills during their emergency medicine and paediatric placements. The aim of our study was to determine medical students’ perceptions of SBA. Methods We followed the grounded theory framework to conduct a qualitative study. A total of 215 students participated in either a paediatric or an emergency medicine simulation-based course with a final assessment. Among the 215 participants, we randomly selected forty students to constitute the focus groups. In the end, 30 students were interviewed. Data were coded and analysed by two independent investigators within the activity theory framework. Results The analyses found four consensual themes. First, the students perceived that success in the SBA provided them with self-confidence and willingness to participate in their hospital placements (1). They considered SBA to have high face validity (2), and they reported changes in their practice after its implementation (3). Nevertheless, they found that SBA did not help with their final high-stakes assessments (4). They discussed three other themes without reaching consensus: stress, equity, and the structure of SBA. After an analysis with activity theory, we found that students’ perceptions of SBA underlined the contradictions between two systems of training: hospital and medical. We hypothesise that a specific role and place for SBA should be defined between these two activity systems. Conclusion The students perceived that SBA would increase self-confidence in their hospital placements and emphasise the general skills required in their future professional environment. However, they also reported that the assessment method might be biased and stressful. Our results concerning a preimplementation mannequin SBA and OSCE could provide valuable insight for new programme design and aid in improving existing programmes. Indeed, SBA seems to have a role and place between hospital placements and medical schools.

Medical students’ perception of simulation-based assessment in emergency and paediatric medicine: a focus group study;Anne-Laure Philippon;2021;figshare


CCDC 1980807: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre

Related Article: Iwona Nierengarten, Jean-Francois Nierengarten|2020|ChemistryOpen|9|393|doi:10.1002/open.202000035


CCDC 1980808: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre


CCDC 1980817: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre


CCDC 1980881: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre


CCDC 1980883: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre


CCDC 1980886: Experimental Crystal Structure Determination;Nierengarten, Iwona;2021;Cambridge Crystallographic Data Centre


CCDC 2101899: Experimental Crystal Structure Determination;Kaemmerer, Hagen;2021;Cambridge Crystallographic Data Centre

Related Article: Hagen Kaemmerer, Valeriu Mereacre, Ayuk M. Ako, Samir Mameri, Christopher E. Anson, Rodolphe Clérac, Annie K. Powell|2021|Chem.-Eur.J.|27|15096|doi:10.1002/chem.202102912


CCDC 2101901: Experimental Crystal Structure Determination;Kaemmerer, Hagen;2021;Cambridge Crystallographic Data Centre


CCDC 2101902: Experimental Crystal Structure Determination;Kaemmerer, Hagen;2021;Cambridge Crystallographic Data Centre


CCDC 2101903: Experimental Crystal Structure Determination;Kaemmerer, Hagen;2021;Cambridge Crystallographic Data Centre


CCDC 2101904: Experimental Crystal Structure Determination;Kaemmerer, Hagen;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background Vitis vinifera L. is the most cultivated grapevine species worldwide. Erysiphe necator Sch., the causal agent of grape powdery mildew, is one of the main pathogens affecting viticulture. V. vinifera has little or no genetic resistances against E. necator and the grape industry is highly dependent on agrochemicals. Some Caucasian V. vinifera accessions have been reported to be resistant to E. necator and to have no genetic relationships to known sources of resistance to powdery mildew. The main purpose of this work was the study and mapping of the resistance to E. necator in the Caucasian grapes ‘Shavtsitska’ and ‘Tskhvedianis tetra’. Results The Caucasian varieties ‘Shavtsitska’ and ‘Tskhvedianis tetra’ showed a strong partial resistance to E. necator which segregated in two cross populations: the resistant genotypes delayed and limited the pathogen mycelium growth, sporulation intensity and number of conidia generated. A total of 184 seedlings of ‘Shavtsitska’ x ‘Glera’ population were genotyped through the Genotyping by Sequencing (GBS) technology and two high-density linkage maps were developed for the cross parents. The QTL analysis revealed a major resistance locus, explaining up to 80.15% of the phenotypic variance, on ‘Shavtsitska’ linkage group 13, which was associated with a reduced pathogen infection as well as an enhanced plant necrotic response. The genotyping of 105 Caucasian accessions with SSR markers flanking the QTL revealed that the resistant haplotype of ‘Shavtsitska’ was shared by ‘Tskhvedianis tetra’ and a total of 25 Caucasian grape varieties, suggesting a widespread presence of this resistance in the surveyed germplasm. The uncovered QTL was mapped in the region where the Ren1 locus of resistance to E. necator, identified in the V. vinifera ‘Kishmish vatkana’ and related grapes of Central Asia, is located. The genetic analysis conducted revealed that the Caucasian grapes in this study exhibit a resistant haplotype different from that of Central Asian grape accessions. Conclusions The QTL isolated in ‘Shavtsitska’ and present in the Caucasian V. vinifera varieties could be a new candidate gene of resistance to E. necator to use in breeding programmes. It co-localizes with the Ren1 locus but shows a different haplotype from that of grapevines of Central Asia. We therefore consider that the Caucasian resistance locus, named Ren1.2, contains a member of a cluster of R-genes, of which the region is rich, and to be linked with, or possibly allelic, to Ren1.

Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 10: Table S5. Resistance genes predicted in the QTL of resistance to E. necator in chr 13 in V. vinifera.

Additional file 10 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 11: Table S6. SNP dataset analysed in R-software for the construction of the parental maps.

Additional file 11 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 1: Table S1. Descriptive statistics for the phenotypic data recorded for the Caucasian cross populations during E. necator infections.

Additional file 1 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 7: Table S3. Screening with SSR of the Caucasian germplasm conserved at CREA-VE.

Additional file 7 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 8: Table S4. Phenotypic data of the resistance to E. necator recorded in different bioassays for the Caucasian cross parents and their progenies.

Additional file 8 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


Abstract: Additional file 6: Table S2. Results for the interval mapping for the resistance to E. necator of ‘Shavtsitska’.

Additional file 6 of Construction of a high-density genetic map and detection of a major QTL of resistance to powdery mildew (Erysiphe necator Sch.) in Caucasian grapes (Vitis vinifera L.);Tyrone Possamai;2021;figshare


CCDC 1971784: Experimental Crystal Structure Determination;Gimeno, Lea;2021;Cambridge Crystallographic Data Centre

bis(2-t-butyl-9-phenyl-1,10-phenanthroline)-copper hexafluorophosphate toluene solvate

Related Article: Lea Gimeno, Errol Blart, Jean-Noël Rebilly, Marina Coupeau, Magali Allain, Thierry Roisnel, Alexis Quarré de Verneuil, Christophe Gourlaouen, Chantal Daniel, Yann Pellegrin|2020|Chem.-Eur.J.|26|11887|doi:10.1002/chem.202001209


Abstract: Research dataset for Odarchenko, Y.; Rosenthal, M.; Hernandez, J.J.; Doblas, D.; Di Cola, E.; Soloviev, M.; Ivanov, D.A. Assessing Fast Structure Formation Processes in Isotactic Polypropylene with a Combination of Nanofocus X-ray Diffraction and In Situ Nanocalorimetry. Nanomaterials 2021, 11, 2652. https://doi.org/10.3390/nano11102652

Assessing Fast Structure Formation Processes in Isotactic Polypropylene with a Combination of Nanofocus X-ray Diffraction and In Situ Nanocalorimetry;Mikhail Soloviev;2021;Royal Holloway, University of London


Fast_Structure_Formation_Processes

Fast_Structure_Formation_Processes;Mikhail Soloviev;2021;Royal Holloway, University of London


CCDC 1980620: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre

bis[3,5-difluoro-2-(pyridin-2-yl)phenyl]-(13,23:26,32:35,43-quaterpyridine)-iridium hexafluorophosphate diethyl ether solvate

Related Article: Maxime Florent, Nathalie Kyritsakas, Jean-Marc Planeix, Aurélie Guenet, Mir Wais Hosseini|2021|Dalton Trans.|50|15924|doi:10.1039/D0DT00822B


CCDC 1980617: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 1980611: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 1980615: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 1980619: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 1980621: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 1980618: Experimental Crystal Structure Determination;Florent, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073014: Experimental Crystal Structure Determination;De Marco, Riccardo;2021;Cambridge Crystallographic Data Centre

Related Article: Riccardo De Marco, Marco Dal Grande, Marco Baron, Laura Orian, Claudia Graiff, Thierry Achard, Stéphane Bellemin-Laponnaz, Alexander Pöthig, Cristina Tubaro|2021|Eur.J.Inorg.Chem.|2021|4196|doi:10.1002/ejic.202100495


CCDC 2073015: Experimental Crystal Structure Determination;De Marco, Riccardo;2021;Cambridge Crystallographic Data Centre


CCDC 2073016: Experimental Crystal Structure Determination;De Marco, Riccardo;2021;Cambridge Crystallographic Data Centre


CCDC 2073017: Experimental Crystal Structure Determination;De Marco, Riccardo;2021;Cambridge Crystallographic Data Centre


CCDC 2073018: Experimental Crystal Structure Determination;De Marco, Riccardo;2021;Cambridge Crystallographic Data Centre


Inorganic Crystal Structure Database (ICSD)

CSD 2001196: Experimental Crystal Structure Determination;Goura, Joydeb;2021;FIZ Karlsruhe - Leibniz Institute for Information Infrastructure

Related Article: Joydeb Goura, Bassem Bassil, Xiang Ma, Ananthu Rajan, Eufemio Moreno-Pineda, Jürgen Schnack, Masooma Ibrahim, Annie Powell, Mario Ruben, Jingjing Wang, Laurent Ruhlmann, Ulrich Kortz|2021|Chem.-Eur.J.|27|15081|doi:10.1002/chem.202102973


Abstract: Abstract Background Intermixing of genomes through meiotic reassortment and recombination of homologous chromosomes is a unifying theme of sexual reproduction in eukaryotic organisms and is considered crucial for their adaptive evolution. Previous studies of the budding yeast species Saccharomycodes ludwigii suggested that meiotic crossing over might be absent from its sexual life cycle, which is predominated by fertilization within the meiotic tetrad. Results We demonstrate that recombination is extremely suppressed during meiosis in Sd. ludwigii. DNA double-strand break formation by the conserved transesterase Spo11, processing and repair involving interhomolog interactions are required for normal meiosis but do not lead to crossing over. Although the species has retained an intact meiotic gene repertoire, genetic and population analyses suggest the exceptionally rare occurrence of meiotic crossovers in its genome. A strong AT bias of spontaneous mutations and the absence of recombination are likely responsible for its unusually low genomic GC level. Conclusions Sd. ludwigii has followed a unique evolutionary trajectory that possibly derives fitness benefits from the combination of frequent mating between products of the same meiotic event with the extreme suppression of meiotic recombination. This life style ensures preservation of heterozygosity throughout its genome and may enable the species to adapt to its environment and survive with only minimal levels of rare meiotic recombination. We propose Sd. ludwigii as an excellent natural forum for the study of genome evolution and recombination rates.

Sex without crossing over in the yeast Saccharomycodes ludwigii;Ioannis A. Papaioannou;2021;figshare


CCDC 2093948: Experimental Crystal Structure Determination;Pfleger, Rouven F.;2021;Cambridge Crystallographic Data Centre

Related Article: Rouven F. Pfleger, Sören Schlittenhardt, Marcel P. Merkel, Mario Ruben, Christopher E. Anson, Jesper Bendix, Annie Powell, Karin Finkwell|2021|Chem.-Eur.J.|27|15086|doi:10.1002/chem.202102918


CCDC 2093949: Experimental Crystal Structure Determination;Pfleger, Rouven F.;2021;Cambridge Crystallographic Data Centre


CCDC 2093950: Experimental Crystal Structure Determination;Pfleger, Rouven F.;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background Plasmodium sporozoites are the highly motile forms of malaria-causing parasites that are transmitted by the mosquito to the vertebrate host. Sporozoites need to enter and cross several cellular and tissue barriers for which they employ a set of surface proteins. Three of these proteins are members of the thrombospondin related anonymous protein (TRAP) family. Here, potential additive, synergistic or antagonistic roles of these adhesion proteins were investigated. Methods Four transgenic Plasmodium berghei parasite lines that lacked two or all three of the TRAP family adhesins TRAP, TLP and TREP were generated using positive–negative selection. The parasite lines were investigated for their capacity to attach to and move on glass, their ability to egress from oocysts and their capacity to enter mosquito salivary glands. One strain was in addition interrogated for its capacity to infect mice. Results The major phenotype of the TRAP single gene deletion dominates additional gene deletion phenotypes. All parasite lines including the one lacking all three proteins were able to conduct some form of active, if unproductive movement. Conclusions The individual TRAP-family adhesins appear to play functionally distinct roles during motility and infection. Other proteins must contribute to substrate adhesion and gliding motility. Graphical Abstract

Limited Plasmodium sporozoite gliding motility in the absence of TRAP family adhesins;Konrad Beyer;2021;figshare


Abstract: Supporting information for publication "Nature, origin and evolution of the Pyrenean-Cantabrian junction" (Tectonics, doi: 10.1029/2020TC006134). It includes one figure showing the distribution of the basinal vs. platform facies of the Upper Cenomanian sediments from the Mauléon and Basque-Cantabre basins.<br>

Supporting information for publication "Nature, origin and evolution of the Pyrenean-Cantabrian junction";Rodolphe Lescoutre;2021;4TU.ResearchData


Abstract: Table of the structural dataset (bedding, cleavage) from the Basque Country (France, Spain), used for the publication "Nature, origin and evolution of the Pyrenean-Cantabrian junction" by Lescoutre et al. (Tectonics, doi: 10.1029/2020TC006134). The structural data contain information about the dip and orientation of the bedding and cleavage from the Paleozoic basement of the Basque massifs as well as the Upper Triassic to Cenozoic sedimentary cover of the Mauléon and Basque-Cantabrian basins. They aimed to determine the deformation of the basement and sedimentary rocks of the Western Pyrenees. These data have been acquired by R. Lescoutre during 2016-2019 field campaigns using the Clino Field software (Petex).<br>

Data underlying the publication: Nature, origin and evolution of the Pyrenean‐Cantabrian junction;Rodolphe Lescoutre;2021;4TU.ResearchData


Institute For Hydromechanics, Karlsruhe Institute Of Technology, Germany

Université De Strasbourg, Fluid Mechanics Department, Institut ICube, France

Abstract:
The results contained in the data files correspond to a single
oblate spheroid with geometrical aspect ratio 1.1 or 1.5. Different
Galileo numbers ranging from 100 to 220 as well as different density
ratios can be found.

The data presented here has been obtained with a spectral/spectral-element
method and is intended to be used for benchmarking purposes.

# References
M. Moriche & M. Uhlmann, "A single oblate spheroid settling inunbounded ambient fluid: a benchmark for simulations in steady
and unsteady wake regimes", to be submitted to Int. J. Multiphase Flow

# Contact

manuel.guerrero@kit.edu
markus.uhlmann@kit.edu

Supplementary material to "A single oblate spheroid settling in unbounded ambient fluid: a benchmark for simulations in steady and unsteady wake regimes";Manuel Moriche Guerrero;2021;4TU.ResearchData


Abstract: Abstract Background The first wave of the COVID-19 pandemic confronted healthcare systems around the world with unprecedented organizational challenges, particularly regarding the availability of intensive care unit (ICU) beds. One strategy implemented in France to alleviate healthcare pressure during the first COVID-19 wave was inter-hospital transfers of selected ICU patients from overwhelmed areas towards less saturated ones. At the time, the impact of this transfer strategy on patient mortality was unknown. We aimed to compare in-hospital mortality rates among ICU patients with COVID-19 who were transferred to another healthcare facility and those who remained in the hospital where they were initially admitted to. Method A prospective observational study was performed from 1 March to 21 June 2020. Data regarding hospitalized patients with COVID-19 were collected from the Ministry of Health-affiliated national SI-VIC registry. The primary endpoint was in-hospital mortality. Results In total, 93,351 hospital admissions of COVID-19 patients were registered, of which 18,348 (19.6%) were ICU admissions. Transferred patients (n = 2228) had a lower mortality rate than their non-transferred counterparts (n = 15,303), and the risk decreased with increasing transfer distance (odds ratio (OR) 0.7, 95% CI: 0.6–0.9, p = 0.001 for transfers between 10 and 50 km, and OR 0.3, 95% CI: 0.2–0.4, p 200 km). Mortality decreased overall over the 3-month study period. Conclusions Our study shows that the mortality rates were lower for patients with severe COVID-19 who were transferred between ICUs across regions, or internationally, during the first pandemic wave in France. However, the global mortality rate declined overall during the study. Transferring selected patients with COVID-19 from overwhelmed regions to areas with greater capacity may have improved patient access to ICU care, without compounding the short-term mortality risk of transferred patients.

Impact of ICU transfers on the mortality rate of patients with COVID-19: insights from comprehensive national database in France;Marc-Antoine Sanchez;2021;figshare


Abstract: Abstract Background Recent studies report very low adherence of practitioners to ATS/IDSA recommendations for the treatment of nontuberculous mycobacteria pulmonary disease (NTM-PD), as well as a great variability of practices. Type of management could impact prognosis. Methods To evaluate management and prognosis of patients with NTM-PD cases with respect to ATS recommendations, we conducted a multicenter retrospective cohort study (18 sentinel sites distributed throughout France), over a period of six years. We collected clinical, radiological, microbiological characteristics, management and outcome of the patients (especially death or not). Results 477 patients with NTM-PD were included. Respiratory comorbidities were found in 68% of cases, tuberculosis sequelae in 31.4% of patients, and immunosuppression in 16.8% of cases. The three most common NTM species were Mycobacterium avium complex (60%), M. xenopi (20%) and M. kansasii (5.7%). Smear-positive was found in one third of NTM-PD. Nodulobronchiectatic forms were observed in 54.3% of cases, and cavitary forms in 19.1% of patients. Sixty-three percent of patients were treated, 72.4% of patients with smear-positive samples, and 57.5% of patients with smear-negative samples. Treatment was in adequacy with ATS guidelines in 73.5%. The 2-year mortality was 14.4%. In the Cox regression, treatment (HR = 0.51), age (HR = 1.02), and M. abscessus (3.19) appeared as the 3 significant independent prognostic factors. Conclusion These findings highlight the adequacy between French practices and the ATS/IDSA guidelines. Treatment was associated with a better survival.

Management of patients with pulmonary mycobacteriosis in France: a multicenter retrospective cohort study;Pascale Bemer;2021;figshare


CCDC 2105578: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

Related Article: Pierre Thuéry, Jack Harrowfield|2021|CrystEngComm|23|7305|doi:10.1039/D1CE01215K


CCDC 2105579: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2105580: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2105581: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

catena-[(mu-oxo)-tetrakis(mu-[12,22:26,32-terpyridine]-24-carboxylato)-tetraaqua-tetraoxo-di-nickel-di-uranium dinitrate unknown solvate hexahydrate]


Abstract: Abstract Background Alternative splicing (AS) produces transcript variants playing potential roles in proteome diversification and gene expression regulation. AS modulation is thus essential to respond to developmental and environmental stimuli. In grapevine, a better understanding of berry development is crucial for implementing breeding and viticultural strategies allowing adaptation to climate changes. Although profound changes in gene transcription have been shown to occur in the course of berry ripening, no detailed study on splicing modifications during this period has been published so far. We report here on the regulation of gene AS in developing berries of two grapevine (Vitis vinifera L.) varieties, Gewurztraminer (Gw) and Riesling (Ri), showing distinctive phenotypic characteristics. Using the software rMATS, the transcriptomes of berries at four developmental steps, from the green stage to mid-ripening, were analysed in pairwise comparisons between stages and varieties. Results A total of 305 differential AS (DAS) events, affecting 258 genes, were identified. Interestingly, 22% of these AS events had not been reported before. Among the 80 genes that underwent the most significant variations during ripening, 22 showed a similar splicing profile in Gw and Ri, which suggests their involvement in berry development. Conversely, 23 genes were subjected to splicing regulation in only one variety. In addition, the ratios of alternative isoforms were different in Gw and Ri for 35 other genes, without any change during ripening. This last result indicates substantial AS differences between the two varieties. Remarkably, 8 AS events were specific to one variety, due to the lack of a splice site in the other variety. Furthermore, the transcription rates of the genes affected by stage-dependent splicing regulation were mostly unchanged, identifying AS modulation as an independent way of shaping the transcriptome. Conclusions The analysis of AS profiles in grapevine varieties with contrasting phenotypes revealed some similarity in the regulation of several genes with developmental functions, suggesting their involvement in berry ripening. Additionally, many splicing differences were discovered between the two varieties, that could be linked to phenotypic specificities and distinct adaptive capacities. Together, these findings open perspectives for a better understanding of berry development and for the selection of grapevine genotypes adapted to climate change.

Alternative splicing regulation appears to play a crucial role in grape berry development and is also potentially involved in adaptation responses to the environment;Pascale Maillot;2021;figshare


Abstract: Additional file 2. Description of the 305 unique DAS events identified in stage and variety comparisons.

Additional file 2 of Alternative splicing regulation appears to play a crucial role in grape berry development and is also potentially involved in adaptation responses to the environment;Pascale Maillot;2021;figshare


Abstract: Additional file 6. Number of RNAseq reads and percent of aligned reads for the 24 biological samples (2 varieties * 4 stages * 3 replicates).

Additional file 6 of Alternative splicing regulation appears to play a crucial role in grape berry development and is also potentially involved in adaptation responses to the environment;Pascale Maillot;2021;figshare


CCDC 2078455: Experimental Crystal Structure Determination;Golling, Stéphane;2021;Cambridge Crystallographic Data Centre

Related Article: Stéphane Golling, Frédéric R. Leroux, Morgan Donnard|2021|Org.Lett.|23|8093|doi:10.1021/acs.orglett.1c03141


Abstract: Abstract Background Patients with hematological malignancies (HM) are at high risk of mortality from SARS-CoV-2 disease 2019 (COVID-19). A better understanding of risk factors for adverse outcomes may improve clinical management in these patients. We therefore studied baseline characteristics of HM patients developing COVID-19 and analyzed predictors of mortality. Methods The survey was supported by the Scientific Working Group Infection in Hematology of the European Hematology Association (EHA). Eligible for the analysis were adult patients with HM and laboratory-confirmed COVID-19 observed between March and December 2020. Results The study sample includes 3801 cases, represented by lymphoproliferative (mainly non-Hodgkin lymphoma n = 1084, myeloma n = 684 and chronic lymphoid leukemia n = 474) and myeloproliferative malignancies (mainly acute myeloid leukemia n = 497 and myelodysplastic syndromes n = 279). Severe/critical COVID-19 was observed in 63.8% of patients (n = 2425). Overall, 2778 (73.1%) of the patients were hospitalized, 689 (18.1%) of whom were admitted to intensive care units (ICUs). Overall, 1185 patients (31.2%) died. The primary cause of death was COVID-19 in 688 patients (58.1%), HM in 173 patients (14.6%), and a combination of both COVID-19 and progressing HM in 155 patients (13.1%). Highest mortality was observed in acute myeloid leukemia (199/497, 40%) and myelodysplastic syndromes (118/279, 42.3%). The mortality rate significantly decreased between the first COVID-19 wave (March–May 2020) and the second wave (October–December 2020) (581/1427, 40.7% vs. 439/1773, 24.8%, p value

COVID-19 infection in adult patients with hematological malignancies: a European Hematology Association Survey (EPICOVIDEHA);Livio Pagano;2021;figshare


Abstract: The complete dataset underlying the article "In optimized rubrene-based nanoparticle blends for photon upconversion, singlet energy collection outcompetes triplet-pair separation, not singlet fission". Source data is provided here for figures in both the main article and supplementary information. See README.html for details.

Data for "In optimized rubrene-based nanoparticle blends for photon upconversion, singlet energy collection outcompetes triplet-pair separation, not singlet fission";David Bossanyi;2021;The University of Sheffield

Engineering and Physical Sciences Research Council


Abstract: The relationship of network structure and dynamics is one of the most extensively investigated problems in the theory of complex systems of the last years. Understanding this relationship is of relevance to a range of disciplines—from Neuroscience to Geomorphology. A major strategy of investigating this relationship is the quantitative comparison of a representation of network architecture (structural connectivity) with a (network) representation of the dynamics (functional connectivity). Here, we show that one can distinguish two classes of functional connectivity—one based on simultaneous activity (co-activity) of nodes, the other based on sequential activity of nodes. We delineate these two classes in different categories of dynamical processes—excitations, regular and chaotic oscillators—and provide examples for SC/FC correlations of both classes in each of these models. We expand the theoretical view of the SC/FC relationships, with conceptual instances of the SC and the two classes of FC for various application scenarios in Geomorphology, Ecology, Systems Biology, Neuroscience and Socio-Ecological Systems. Seeing the organisation of dynamical processes in a network either as governed by co-activity or by sequential activity allows us to bring some order in the myriad of observations relating structure and function of complex networks.

Supplementary material from "Two classes of functional connectivity in dynamical processes in networks";Venetia Voutsa;2021;The Royal Society


Abstract: Non-Ising polar domain walls have recently emerged as individual two-dimensional materials exhibiting localized nonlinear optical emission. The analysis of this emitted light often requires focusing with high apertures. As a result, the vectorial properties of light come into play. This study provides an analytic treatment of the vector light fields’ effect on the polarized second-harmonic emission (SHG) arising at polar domain walls. While confined optical fields are expected to alter the SHG polarization response, we identify extrinsic and intrinsic properties capable of canceling focusing effects. We determine a precise combination of the fundamental wave polarization and orientation of the domain walls at which focusing effects are negligible. Furthermore, the perimeter defined by the domain walls intrinsic optical parameters below which focusing effects are negligible is extracted from a systematic focus-dependent analysis. Our study provides the necessary methodology and precautions to probe the internal structure of non-Ising domain walls with confined optical fields, and it can be extended to explore newly discovered ferroelectric topologic nanostructures.

Focusing characteristics of polarized 2 second-harmonic emission at non-Ising polar 3 domain walls;Yide Zhang;2021;The Optical Society


CCDC 2087598: Experimental Crystal Structure Determination;Desvals, Arthur;2021;Cambridge Crystallographic Data Centre

Related Article: Arthur Desvals, Stéphane A. Baudron, Véronique Bulach, Norbert Hoffmann|2021|J.Org.Chem.|86|13310|doi:10.1021/acs.joc.1c01361


CCDC 2087599: Experimental Crystal Structure Determination;Desvals, Arthur;2021;Cambridge Crystallographic Data Centre


CCDC 2087600: Experimental Crystal Structure Determination;Desvals, Arthur;2021;Cambridge Crystallographic Data Centre


CCDC 2087601: Experimental Crystal Structure Determination;Desvals, Arthur;2021;Cambridge Crystallographic Data Centre


CCDC 2088122: Experimental Crystal Structure Determination;Desvals, Arthur;2021;Cambridge Crystallographic Data Centre


CCDC 1998372: Experimental Crystal Structure Determination;Isaac, Carole;2020;Cambridge Crystallographic Data Centre

Related Article: Carole Isaac, Jean-Louis Paillaud, T. Jean Daou, Andrey Ryzhikov|2021|Microporous and Mesoporous Materials|312|110804|doi:10.1016/j.micromeso.2020.110804


Figure S3b from Two classes of functional connectivity in dynamical processes in networks;Venetia Voutsa;2021;The Royal Society


Figure S4a from Two classes of functional connectivity in dynamical processes in networks;Venetia Voutsa;2021;The Royal Society


Figure S4b from Two classes of functional connectivity in dynamical processes in networks;Venetia Voutsa;2021;The Royal Society


Figure S3a from Two classes of functional connectivity in dynamical processes in networks;Venetia Voutsa;2021;The Royal Society


Abstract: This Letter presents the first three-dimensional measurement of photonic jets generated by shaped-tip multimode optical fibers using direct imaging. The imaging system mainly consists of a high-numericalaperture microscope objective and a scanning system along the optical axis. The volume of the photonic jet is reconstructed using a stack of image planes and geometrical parameters are retrieved and compared to numerical simulations. Contribution of the higher modes is also observed for the first time. This method provides a better understanding of photonic-jet-based laser etching using multimode optical fibers and demonstrates the benefit of fiber with a lower number of modes.

Direct imaging of photonic jet at shaped fiber tips;Djamila Bouaziz;2021;The Optical Society


CCDC 1855057: Experimental Crystal Structure Determination;Su, Jian;2020;Cambridge Crystallographic Data Centre

Related Article: Jian Su, Shuai Yuan, Jing Li, Hai‐Ying Wang, Jing‐Yuan Ge, Hannah F. Drake, Chanel F. Leong, Fei Yu, Deanna M. D'Alessandro, Mohamedally Kurmoo, Jing‐Lin Zuo, Hong‐Cai Zhou|2020|Chem.-Eur.J.|27|622|doi:10.1002/chem.202004883


CCDC 1855058: Experimental Crystal Structure Determination;Su, Jian;2020;Cambridge Crystallographic Data Centre


CCDC 1855059: Experimental Crystal Structure Determination;Su, Jian;2020;Cambridge Crystallographic Data Centre


CCDC 2014874: Experimental Crystal Structure Determination;Chevalier, Aline;2020;Cambridge Crystallographic Data Centre

Related Article: Aline Chevalier, Artem Osypenko, Jean-Marie Lehn, Daniel Meyer|2020|Chemical Science|11|11468|doi:10.1039/D0SC04098C


CCDC 2084850: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

Related Article: Pierre Thuéry, Jack Harrowfield|2021|Eur.J.Inorg.Chem.|2021|3699|doi:10.1002/ejic.202100476


CCDC 2084851: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2084852: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background Alzheimer's disease (AD) is a pervasive age-related and highly heritable neurodegenerative disorder but has no effective therapy. The complex cellular microenvironment in the AD brain impedes our understanding of pathogenesis. Thus, a comprehensive investigation of cell type-specific responses in AD is crucial to provide precise molecular and cellular targets for therapeutic development. Methods Here, we integrated analyzed 4,441 differentially expressed genes (DEGs) that were identified from 263,370 single-cells in cortex samples by single-nucleus RNA sequencing (snRNA-seq) between 42 AD-pathology subjects and 39 normal controls within 3 studies. DEGs were analyzed in microglia, astrocytes, oligodendrocytes, excitatory neurons, inhibitory neurons, and endothelial cells, respectively. In each cell type, we identified both common DEGs which were observed in all 3 studies, and overlapping DEGs which have been seen in at least 2 studies. Firstly, we showed the common DEGs expression and explained the biological functions by comparing with existing literature or multil-omics signaling pathways knowledgebase. We then determined the significant modules and hub genes, and explored the biological processes using the overlapping DEGs. Finally, we identified the common and distinct dysregulated pathways using overall DEGs and overlapping DEGs in a cell type-specific manner. Results Up-regulated LINGO1 has been seen in both oligodendrocytes and excitatory neurons across 3 studies. Interestingly, genes enriched in the mitochondrial module were up-regulated across all cell types, which indicates mitochondrial dysfunction in the AD brain. The estrogen signaling pathway seems to be the most common pathway that is disrupted in AD. Conclusion Together, these analyses provide detailed information of cell type-specific and overall transcriptional changes and pathways underlying the human AD-pathology. These findings may provide important insights for drug development to tackle this disease.

Cell type-specific potential pathogenic genes and functional pathways in Alzheimer’s Disease;Xiao-Lan Wang;2021;figshare


Abstract: Additional file 1: Supplementary File 1. DEGs are identified and used in microglial cells. Supplementary File 2. DEGs are identified and used in astrocytes. Supplementary File 3. DEGs are identified and used in oligodendrocytes. Supplementary File 4. DEGs are identified and used in excitatory neurons. Supplementary File 5. DEGs are identified and used in inhibitory neurons. Supplementary File 6. DEGs are identified and used in endothelial cells.

Additional file 1 of Cell type-specific potential pathogenic genes and functional pathways in Alzheimer’s Disease;Xiao-Lan Wang;2021;figshare


CCDC 2093082: Experimental Crystal Structure Determination;He, Fengkai;2021;Cambridge Crystallographic Data Centre

Related Article: Fengkai He, Christophe Gourlaouen, Huan Pang, Pierre Braunstein|2021|Chem.Commun.|57|10039|doi:10.1039/D1CC03673D


CCDC 2093083: Experimental Crystal Structure Determination;He, Fengkai;2021;Cambridge Crystallographic Data Centre


CCDC 2093084: Experimental Crystal Structure Determination;He, Fengkai;2021;Cambridge Crystallographic Data Centre


CCDC 2093085: Experimental Crystal Structure Determination;He, Fengkai;2021;Cambridge Crystallographic Data Centre


Abstract: This paper presents a revised geological map at the 1/50,000 scale of the Central Sivas Basin together with a synthetic stratigraphic chart and cross-sections. The map covers an area of approximately 9840 km² within the Eastern Anatolian orogen. The structure of the studied area is dominated by three major tectonic domains: (i) to the south, a north-verging thrust wedge involving Maastrichtian – Eocene sediments deposited onto an ophiolitic basement, (ii) in the center an Oligo-Miocene domain shaped by salt tectonics detached above the thrust wedge, along a late Eocene salt layer, and, (iii) to the north the Pliocene depocenter onlapping onto the Kırşehir basement. The central halokinetic domain exhibits two generations of minibasins (respectively, early Oligocene and late Oligocene to late Miocene), separated by an evaporite canopy. The map includes new stratigraphic correlations for the pre-salt stratigraphy and improve the comprehension of the southern fold-and-thrust-belt.

Geology of the Central Sivas Basin (Turkey);Etienne Legeay;2018;Taylor & Francis


Abstract: The geological map L-47-V at a scale 1:500,000 covers part of Mongolian Altaids with ophiolite fragments in southern Central Asian Orogenic Belt in SW Mongolia. This region has a basin and range topography with Neoproterozoic and Palaeozoic units exposed at NW–SE trending ranges rising along major intracontinental faults and with intermontane basins filled by Mesozoic and Cenozoic sediments in between. The map shows clear N–S tectonic zonation featuring the northerly Precambrian Baidrag microcontinent, the lower Palaeozoic Lake Zone in the centre and the southerly Palaeozoic Gobi-Altai and Trans-Altai zones. Gravity highs are located in the SW part of the map and low to intermediate Bouguer anomalies in the NE part. NW–SE trends of gravity anomalies correlate well with the contact between the Trans-Altai and the Gobi-Altai zones but the important first-order geological boundary between the Lake and Gobi-Altai zones cannot be delineated by the gravity gradients.

Geology of the Gobi and Mongol Altai junction enhanced by gravity analysis: a key for understanding of the Mongolian Altaides;Pavel Hanžl;2021;Taylor & Francis


CCDC 2073511: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre

Related Article: Maxime Tricoire, Luca Münzfeld, Jules Moutet, Nolwenn Mahieu, Léo La Droitte, Eufemio Moreno-Pineda, Frédéric Gendron, Jeremy D. Hilgar, Jeffrey D. Rinehart, Mario Ruben, Boris Le Guennic, Olivier Cador, Peter W. Roesky, Grégory Nocton|2021|Chem.-Eur.J.|27|13558|doi:10.1002/chem.202101599


CCDC 2073513: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073514: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073515: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073516: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073517: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073518: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073519: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073520: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073521: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073522: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073523: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073524: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073525: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073526: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073527: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073528: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073529: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073530: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073531: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


CCDC 2073512: Experimental Crystal Structure Determination;Tricoire, Maxime;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract The atypical chemokine receptor 3, ACKR3, is a G protein-coupled receptor, which does not couple to G proteins but recruits βarrestins. At present, ACKR3 is considered a target for cancer and cardiovascular disorders, but less is known about the potential of ACKR3 as a target for brain disease. Further, mouse lines have been created to identify cells expressing the receptor, but there is no tool to visualize and study the receptor itself under physiological conditions. Here, we engineered a knock-in (KI) mouse expressing a functional ACKR3-Venus fusion protein to directly detect the receptor, particularly in the adult brain. In HEK-293 cells, native and fused receptors showed similar membrane expression, ligand induced trafficking and signaling profiles, indicating that the Venus fusion does not alter receptor signaling. We also found that ACKR3-Venus enables direct real-time monitoring of receptor trafficking using resonance energy transfer. In ACKR3-Venus knock-in mice, we found normal ACKR3 mRNA levels in the brain, suggesting intact gene transcription. We fully mapped receptor expression across 14 peripheral organs and 112 brain areas and found that ACKR3 is primarily localized to the vasculature in these tissues. In the periphery, receptor distribution aligns with previous reports. In the brain there is notable ACKR3 expression in endothelial vascular cells, hippocampal GABAergic interneurons and neuroblast neighboring cells. In conclusion, we have generated Ackr3-Venus knock-in mice with a traceable ACKR3 receptor, which will be a useful tool to the research community for interrogations about ACKR3 biology and related diseases.

Ackr3-Venus knock-in mouse lights up brain vasculature;Aliza T. Ehrlich;2021;figshare


CCDC 2064620: Experimental Crystal Structure Determination;Ketatni, El Mostafa;2021;Cambridge Crystallographic Data Centre

Related Article: El Mostafa Ketatni, Nathalie Kyritsakas, Pierre Mobian, Abdelaziz Jouaiti|2022|J.Mol.Struct.|1248|131466|doi:10.1016/j.molstruc.2021.131466


CCDC 2064624: Experimental Crystal Structure Determination;Ketatni, El Mostafa;2021;Cambridge Crystallographic Data Centre


CCDC 2064622: Experimental Crystal Structure Determination;Ketatni, El Mostafa;2021;Cambridge Crystallographic Data Centre


CCDC 2064623: Experimental Crystal Structure Determination;Ketatni, El Mostafa;2021;Cambridge Crystallographic Data Centre


CCDC 2081216: Experimental Crystal Structure Determination;Ulm, Franck;2021;Cambridge Crystallographic Data Centre

Related Article: Franck Ulm,  Saurabh Shahane,  Lai Truong‐Phuoc,  Thierry Romero,  Vasiliki Papaefthimiou,  Matthieu Chessé,  Michael J. Chetcuti,  Cuong Pham‐Huu,  Christophe Michon,  Vincent Ritleng|2021|Eur.J.Inorg.Chem.|2021|3074|doi:10.1002/ejic.202100371


Abstract: The complete dataset underlying the article "Spin statistics for triplet-triplet annihilation upconversion: exchange coupling, intermolecular orientation and reverse intersystem crossing". Source data is provided here for figures in both the main article and supplementary information. See README.html for details.

Data for "Spin statistics for triplet-triplet annihilation upconversion: exchange coupling, intermolecular orientation and reverse intersystem crossing";David Bossanyi;2021;The University of Sheffield


Abstract:
Article full text
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Identification of a Rule to Predict Response to Sarilumab in Patients with Rheumatoid Arthritis Using Machine Learning and Clinical Trial Data;Adis journals on behalf of;2021;Adis Journals


Abstract: Abstract Background Angiogenesis is the process by which new blood vessels arise from pre-existing ones. Fibroblast growth factor-2 (FGF-2), a leading member of the FGF family of heparin-binding growth factors, contributes to normal as well as pathological angiogenesis. Pre-mRNA alternative splicing plays a key role in the regulation of cellular and tissular homeostasis and is highly controlled by splicing factors, including SRSFs. SRSFs belong to the SR protein family and are regulated by serine/threonine kinases such as SRPK1. Up to now, the role of SR proteins and their regulators in the biology of endothelial cells remains elusive, in particular upstream signals that control their expression. Results By combining 2D endothelial cells cultures, 3D collagen sprouting assay, a model of angiogenesis in cellulose sponges in mice and a model of angiogenesis in zebrafish, we collectively show that FGF-2 promotes proliferation, survival, and sprouting of endothelial cells by activating a SRSF1/SRSF3/SRPK1-dependent axis. In vitro, we further demonstrate that this FGF-2-dependent signaling pathway controls VEGFR1 pre-mRNA splicing and leads to the generation of soluble VEGFR1 splice variants, in particular a sVEGFR1-ex12 which retains an alternative last exon, that contribute to FGF-2-mediated angiogenic functions. Finally, we show that sVEGFR1-ex12 mRNA level correlates with that of FGF-2/FGFR1 in squamous lung carcinoma patients and that sVEGFR1-ex12 is a poor prognosis marker in these patients. Conclusions We demonstrate that FGF-2 promotes angiogenesis by activating a SRSF1/SRSF3/SRPK1 network that regulates VEGFR1 alternative splicing in endothelial cells, a process that could also contribute to lung tumor progression.

FGF-2 promotes angiogenesis through a SRSF1/SRSF3/SRPK1-dependent axis that controls VEGFR1 splicing in endothelial cells;Tao Jia;2021;figshare


Abstract: Additional File 1: Figure S1. Effects of FGFR (AZD4547) and SRPK1 (SRPIN340, SPHINX31) inhibitors on VEGF165b protein and total VEGF-A, VEGF121, VEGF165 and VEGF189 mRNA levels in endothelial cells treated or not with FGF-2. (a) Representative VEGF165b immunoblots in HUVEC and HDMEC treated or not (NT) for 72 hours with 3nM FGF-2 in the presence or absence of 10nM AZD4547 (FGFRinh), 10μM SRPIN340 or 5μM SPHINX31 as indicated. GAPDH was used as a loading control. Representative immunoblots of two (HUVEC) and three (HDMEC) independent experiments are presented. (b) HDMEC cells were treated (FGF) or not (NT) with 3nM FGF-2 for 72 hours in the presence or absence of 5μM SPHINX31 (SPH31) or 10μM SRPIN340 as indicated. Graphs represent mean values ± SD of normalized expression of each transcript according to GAPDH mRNA level in 3 independent experiments. For each transcript, the fold change was calculated with value 1 assigned to the normalized expression value obtained in the non treated (control) condition. Unpaired t test, *p<0.05, **p< 0.01, ns: not significant. (PPTX 807 kb)

Additional file 1 of FGF-2 promotes angiogenesis through a SRSF1/SRSF3/SRPK1-dependent axis that controls VEGFR1 splicing in endothelial cells;Tao Jia;2021;figshare


Abstract: Additional File 2: Figure S2. Schematic representation of VEGFR1 and VEGFR1 splice variants. sVEGFR1-ex15a results from activation of a cryptic 3’-splice acceptor site upon the use of an alternative polyadenylation site in the latter half of intron 14. sVEGFR1-i13 short and sVEGFR1-i13 long result from alternative polyadenylation at different sites in intron 13 to yield mRNAs encoding the same 867 amino acid sVEGFR1 protein isoform, but with either a 17 or 4146 nt 3’-UTR region. sVEGFR1-ex12 retains an alternative last exon (exon 12). The location of forward and reverse primers used in RT-PCR analyses are indicated as black arrows on each transcript. siRNA sequences target exon 12 for sVEGFR1-ex12 and the junction between exon 13 and retained intron 13 for sVEGFR1-i13. (PPTX 68 kb)

Additional file 2 of FGF-2 promotes angiogenesis through a SRSF1/SRSF3/SRPK1-dependent axis that controls VEGFR1 splicing in endothelial cells;Tao Jia;2021;figshare


CCDC 2091685: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

Related Article: Pierre Thuéry, Jack Harrowfield|2021|Dalton Trans.|50|11021|doi:10.1039/D1DT02232F


Abstract: Studying in vivo feeding and other behaviors of small insects, such as aphids, is important for understanding their lifecycle and interaction with the environment. In this regard, the EPG (Electrical Penetration Graph) technique is widely used to study the feeding activity in aphids. However, it is restricted to recording feeding of single insects and requires wiring insects to an electrode, impeding free movement. Hence, easy and straightforward collective observations, e.g. of groups of aphids on a plant, or probing other aphid activities in various body parts, is not possible. To circumvent these drawbacks, we developed a method based on an optical technique called Laser Speckle Contrast Imaging (LSCI). It has the potential for direct, non-invasive and contactless monitoring of a broad range of internal and external activities such as feeding, hemolymph cycling and muscle contractions in aphids or other insects. The method uses a camera and coherent light illumination of the sample. The camera records the laser speckle dynamics due to the scattering and interference of light caused by moving scatters in a probed region of the insect. Analyzing the speckle contrast allowed us to monitor and extract the activity information during aphid feeding on leaves or on artificial medium containing tracer particles. We present evidence that the observed speckle dynamics might be caused by muscle contractions, movement of hemocytes in the circulatory system or food flows in the stylets. This is the first time such a remote sensing method has been applied for optical mapping of the biomechanical activities in aphids.

Real-time monitoring of biomechanical activity in aphids by laser speckle contrast imaging;Stoyan Yordanov;2021;The Optical Society


CCDC 2077956: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre

Related Article: Fule Wu, Christophe Deraedt, Yann Cornaton, Laurent Ruhlmann, Lydia Karmazin, Corinne Bailly, Nathalie Kyritsakas, Nolwenn Le Breton, Sylvie Choua, Jean-Pierre Djukic|2021|Organometallics|40|2624|doi:10.1021/acs.organomet.1c00301


CCDC 2077961: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077962: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077963: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077965: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077966: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077967: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077968: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


CCDC 2077964: Experimental Crystal Structure Determination;Wu, Fule;2021;Cambridge Crystallographic Data Centre


Abstract:
This dataset contains key characteristics about the data described in the Data Descriptor Open-access quantitative MRI data of the spinal cord and reproducibility across participants, sites and manufacturers.
 Contents:
 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format

Metadata record for: Open-access quantitative MRI data of the spinal cord and reproducibility across participants, sites and manufacturers;Scientific Data Curation Team;2021;figshare


Abstract:
This dataset contains key characteristics about the data described in the Data Descriptor OPERA tau neutrino charged current interactions.
 Contents:
 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format

Metadata record for: OPERA tau neutrino charged current interactions;Scientific Data Curation Team;2021;figshare


CCDC 2071668: Experimental Crystal Structure Determination;Zheng, Yongxiang;2021;Cambridge Crystallographic Data Centre

Related Article: Yongxiang Zheng, Anna Perfetto, Davide Luise, Ilaria Ciofini, Laurence Miesch|2021|Org.Lett.|23|5528|doi:10.1021/acs.orglett.1c01876


CCDC 2045435: Experimental Crystal Structure Determination;Benamara, Nesrine;2021;Cambridge Crystallographic Data Centre

Related Article: Nesrine Benamara, Mayoro Diop, Cédric Leuvrey, Marc Lenertz, Pierre Gilliot, Mathieu Gallart, Hélène Bolvin, Fatima Setifi, Guillaume Rogez, Pierre Rabu, Emilie Delahaye|2021|Eur.J.Inorg.Chem.|2021|2099|doi:10.1002/ejic.202100143


CCDC 2065099: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

Related Article: Pierre Thuéry, Jack Harrowfield|2021|Eur.J.Inorg.Chem.|2021|2182|doi:10.1002/ejic.202100203


CCDC 2065100: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2065101: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2065102: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2065103: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2065104: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2065105: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background The risk of severe COVID-19 and its determinants remain largely unknown in patients with autoimmune and inflammatory rheumatic diseases. The objective of this study was to assess the prevalence of COVID-19 infection in patients followed for rare autoimmune diseases as well as the predictors of COVID-19 and disease flare-ups. Methods Cross-sectional phone survey from April 9, 2020, to July 2, 2020, during which patients with autoimmune diseases followed at the National Reference Center for Rare Autoimmune diseases of Strasbourg were systematically contacted by phone and sent a prescription for a SARS-CoV-2 serology. Results One thousand two hundred thirty-two patients were contacted. One thousand fifty-five patients with a confirmed diagnosis of systemic autoimmune disease were included (4 unreachable, 4 moves abroad, 5 deaths before pandemic, 50 without consent, and 114 without autoimmune disease). Among them, 469 (44.5%) patients were tested for SARS-CoV-2 serology. Thirty-nine patients (7.9%) had SARS-CoV-2 infection (either through chest CT-scan [n = 5], RT-PCR on nasopharyngeal swab [n = 14], or serology [n = 31]) among the 496 who underwent at least one of those 3 diagnosis modalities. Of the 39 proven cases, 33 had clinical manifestations (6 asymptomatic patients were diagnosed through systematic serology testing), 31 were managed by home care, 3 were hospitalized due to a need for oxygenation, two required admission to an intensive care unit, and one died. Among patients with confirmed SARS-CoV-2 infection, reported flares were more frequent than in uninfected patients (26.3% [10/38] vs. 7.0% [32/457], p

Incidence and predictors of COVID-19 and flares in patients with rare autoimmune diseases: a systematic survey and serological study at a national reference center in France;Renaud Felten;2021;figshare


CCDC 2079617: Experimental Crystal Structure Determination;Ralahy, Brigino;2021;Cambridge Crystallographic Data Centre

[2,9-bis([1,1'-biphenyl]-2-yl)-1,10-phenanthroline]-(2,9-dimethyl-1,10-phenanthroline)-copper tetrafluoroborate diethyl ether solvate

Related Article: Brigino Ralahy, Uwe Hahn, Emeric Wasielewski, Jean-François Nierengarten|2021|Eur.J.Inorg.Chem.|2021|2625|doi:10.1002/ejic.202100331


CCDC 2079620: Experimental Crystal Structure Determination;Ralahy, Brigino;2021;Cambridge Crystallographic Data Centre


CCDC 2070516: Experimental Crystal Structure Determination;Isaac, Carole;2021;Cambridge Crystallographic Data Centre

Related Article: Carole Isaac, Irena Deroche, Jean-Louis Paillaud, T. Jean Daou, Andrey Ryzhikov, Laure Michelin, Séverinne Rigolet, Ludovic Josien, Habiba Nouali|2021|Cryst.Growth Des.|21|4013|doi:10.1021/acs.cgd.1c00322


CCDC 2070517: Experimental Crystal Structure Determination;Isaac, Carole;2021;Cambridge Crystallographic Data Centre


Abstract:
Article full text
 The above summary slide represents the opinions of the authors. For a full list of declarations, including funding and author disclosure statements, please see the full text online (see “read the peer-reviewed publication” opposite). © The authors, CC-BY-NC 2021.

Refining “Long-COVID” by a Prospective Multimodal Evaluation of Patients with Long-Term Symptoms Attributed to SARS-CoV-2 Infection;Adis Rapid Journals on behalf of:;2021;Adis Journals


CCDC 2068533: Experimental Crystal Structure Determination;Ristić, Predrag;2021;Cambridge Crystallographic Data Centre

Related Article: Predrag Ristić, Nenad Filipović, Vladimir Blagojević, Jovana Ćirković, Berta Barta Holló, Veljko R. Đokić, Morgan Donnard, Mihaela Gulea, Ivana Marjanović, Olivera R. Klisurić, Tamara R. Todorović|2021|CrystEngComm|23|4799|doi:10.1039/D1CE00394A


CCDC 2068535: Experimental Crystal Structure Determination;Ristić, Predrag;2021;Cambridge Crystallographic Data Centre


CCDC 2068534: Experimental Crystal Structure Determination;Ristić, Predrag;2021;Cambridge Crystallographic Data Centre


CCDC 2068536: Experimental Crystal Structure Determination;Ristić, Predrag;2021;Cambridge Crystallographic Data Centre


Abstract: The Early Jurassic was marked by climatic and environmental perturbation, which culminated during the Toarcian Oceanic Anoxic Event (T-OAE), an episode of global warming leading to widespread deposition of organic-rich shales. Exceptional preserved fossils of marine vertebrates have been yielded in Toarcian shales in South France, but their links with the T-OAE remain poorly investigated. A multi-proxy approach is developed (biostratigraphy, mineralogy, Rock–Eval pyrolysis, stable isotopes, phosphorus and mercury contents) to replace these findings in a well-defined temporal and paleoenvironmental context, and hence constrain the factors leading to their remarkable preservation. The T-OAE interval, identified at the base of the Toarcian shales, records higher mercury fluxes suggesting a causal link with the Karoo-Ferrar volcanic activity. This interval is very condensed and unfossiliferous, and might have been deposited under abnormally low salinity conditions. Our data show that the vertebrate horizons deposition post-dated the T-OAE and took place during a prolonged period of widespread anoxia and elevated carbon burial. The unusual richness in vertebrates of the studied site can be explained by a combination of regional factors such as warming-induced, prolonged seafloor anoxia, and extreme condensation due to reduced dilution by carbonate and detrital input.

The palaeoenvironmental context of Toarcian vertebrate-yielding shales of southern France (Hérault);Brahimsamba Bomou;2021;Geological Society of London


Abstract: Table providing further data

S1:The palaeoenvironmental context of Toarcian vertebrate-yielding shales of southern France (Hérault);Brahimsamba Bomou;2021;Geological Society of London


tris(bis(triphenylphosphine)iminium) (mu-oxo)-tris(mu-4-chloropyrazolato)-trichloro-tri-copper chloride hydrate

CCDC 2067279: Experimental Crystal Structure Determination;Mathivathanan, Logesh;2021;Cambridge Crystallographic Data Centre

Related Article: Logesh Mathivathanan, Yiannis Sanakis, Raphael G. Raptis, Philippe Turek, Athanassios K. Boudalis|2021|Phys.Chem.Chem.Phys.(PCCP)|23|14415|doi:10.1039/D1CP01965A


CCDC 2023889: Experimental Crystal Structure Determination;Appleton, Jordan Luke;2020;Cambridge Crystallographic Data Centre

Related Article: Jordan Luke Appleton,  Vincent Silber,  Lydia Karmazin,  Corinne Bailly,  Jean-Claude Chambron,  Jean Weiss,  Romain Ruppert|2020|Eur.J.Org.Chem.|2020|7320|doi:10.1002/ejoc.202001126


CCDC 2023891: Experimental Crystal Structure Determination;Appleton, Jordan Luke;2020;Cambridge Crystallographic Data Centre


CCDC 2024614: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre

Related Article: Pierre Thuéry, Youssef Atoini, Sotaro Kusumoto, Shinya Hayami, Yang Kim, Jack Harrowfield|2020|Eur.J.Inorg.Chem.|2020|4391|doi:10.1002/ejic.202000803


CCDC 2024615: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2024616: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2024617: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2024618: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


CCDC 2024619: Experimental Crystal Structure Determination;Thuéry, Pierre;2021;Cambridge Crystallographic Data Centre


(5,15-bis(2-(4-amino-1-hexyl-2-oxo-1,2-dihydropyrimidin-5-yl)ethyn-1-yl)-10,20-dipentylporphyrinato)-bis[dimethyl sulfoxide]-zinc(ii) dimethyl sulfoxide solvate dihydrate

CCDC 2026828: Experimental Crystal Structure Determination;Tufenkjian, Elsa;2020;Cambridge Crystallographic Data Centre

Related Article: Elsa Tufenkjian,  Christophe Kahlfuss,  Nathalie Kyritsakas,  Mir Wais Hosseini,  Véronique Bulach|2020|Eur.J.Org.Chem.|2021|483|doi:10.1002/ejoc.202001406


CCDC 2038519: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre

Related Article: Yusuke Ishigaki,  Kota Asai,  Henri-Pierre Jacquot de Rouville,  Takuya Shimajiri,  Valérie Heitz,  Hiroshi Fujii-Shinomiya,  Takanori Suzuki|2021|Eur.J.Org.Chem.|2021|990|doi:10.1002/ejoc.202001554


CCDC 2038520: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre


CCDC 2038521: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre


CCDC 2038522: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre


CCDC 2038523: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre


CCDC 2038524: Experimental Crystal Structure Determination;Ishigaki, Yusuke;2020;Cambridge Crystallographic Data Centre


CCDC 2012976: Experimental Crystal Structure Determination;Danopoulos, Andreas A.;2020;Cambridge Crystallographic Data Centre

Related Article: Andreas A. Danopoulos, Pierre Braunstein, Jörg Saßmannshausen, David Pugh, Joseph A. Wright|2020|Eur.J.Inorg.Chem.|2020|3359|doi:10.1002/ejic.202000429


CCDC 1999539: Experimental Crystal Structure Determination;Danopoulos, Andreas A.;2020;Cambridge Crystallographic Data Centre


CCDC 1999548: Experimental Crystal Structure Determination;Danopoulos, Andreas A.;2020;Cambridge Crystallographic Data Centre


CCDC 1999549: Experimental Crystal Structure Determination;Danopoulos, Andreas A.;2020;Cambridge Crystallographic Data Centre


Abstract:
On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was launched by the Joint European Disruptive Initiative (JEDI). Teams from all over the world provided lists of compounds with suspected inhibitory properties versus specific SARS-CoV-2 and human host protein targets. Here we disclose 878 compounds, which were selected by the 20 top-ranked teams ('finalists'). Some finalists teams did not have compounds produced, because they were either unstable or synthetically unfeasible. The compounds were synthesized thanks to JEDI fundraising, and are in the process of being tested in biophysical assays, cell-based assays, etc. Purity data for each compound by LC-MS (liquid chromatography mass spectrometry) is provided. The data file contains SMILES information, molecular weight, purity, and solubility information (in DMSO dimethylsulfoxide). The compounds should be active against either one of the following SARS-CoV-2 protein targets: nsp3, nsp5, nucleocapsid (N), Spike (S), or RdRp (Nsp12), or against human host target TMPRSS2. Authors are listed in random order. Some co-authors are members of the Scientific Committee or organizing team of the GrandChallenge. All work has been performed with an open science mindset, and all data will be shared in the public domain. A publication is in preparation to disclose the experimental results. In version 1 of this data set it is likely that some co-author data is missing, which will be corrected in following versions. The data has been made public by the program manager of the GrandChallenge, Prof. Thomas M. Hermans. Author contributions are also available in spreadsheet format. Please contact covid19@jedi.foundation for more information, or check https://www.jedi.foundation/

About JEDI - The Joint European Disruptive Initiative (JEDI) seeks to bring Europe in a leadership position in breakthrough technologies by launching Scientific and Technology GrandChallenges to push the frontiers of innovation. It is the European advanced research projects agency (ARPA) with a radical method based on excellence, speed, high expectations, bold risk-taking & no geographical return to solve major societal issues in environment, healthcare, digital, education, oceans & space. Driven by humanistic values, JEDI is a not-for-profit organization financed by foundations, governments, corporates and powered by the contribution of 4.100 technology and scientific leaders from academia, corporations and deeptech startups in 29 countries in Europe.
update 30/06/2021 17:32 CET: 12 additional co-authors added, and updated acknowledgement spreadsheet

JEDI Billion Molecules against Covid-19: compounds synthesized;Tuan Le;2021;figshare


CCDC 2042275: Experimental Crystal Structure Determination;Choury, Mickael;2021;Cambridge Crystallographic Data Centre

Related Article: Mickael Choury, Gaelle Blond, Mihaela Gulea|2021|Eur.J.Org.Chem.|2021|2021|doi:10.1002/ejoc.202100305


CCDC 2042276: Experimental Crystal Structure Determination;Choury, Mickael;2021;Cambridge Crystallographic Data Centre


CCDC 2042277: Experimental Crystal Structure Determination;Choury, Mickael;2021;Cambridge Crystallographic Data Centre


CCDC 2046163: Experimental Crystal Structure Determination;del Giudice, Nicolas;2021;Cambridge Crystallographic Data Centre

Related Article: Nicolas del Giudice,  Matthieu L’Her,  Emma Scrafton,  Youssef Atoini,  Giuseppe Gentile,  Benoît Heinrich,  Romain Berthiot,  Alessandro Aliprandi,  Laurent Douce|2021|Eur.J.Org.Chem.|2021|2091|doi:10.1002/ejoc.202100047


CCDC 2053140: Experimental Crystal Structure Determination;Augros, David;2021;Cambridge Crystallographic Data Centre

Related Article: David Augros,  Corinne Comoy,  Yves Fort,  Frédéric R. Leroux,  Armen Panossian|2021|Eur.J.Org.Chem.|2021|1971|doi:10.1002/ejoc.202100087


CCDC 2053141: Experimental Crystal Structure Determination;Augros, David;2021;Cambridge Crystallographic Data Centre


CCDC 2054769: Experimental Crystal Structure Determination;Speicher, Andreas;2021;Cambridge Crystallographic Data Centre

Related Article: Andreas Speicher, Lisa Marx, Daniel Lamberty, Sabine Choppin, Françoise Colobert|2021|Eur.J.Org.Chem.|2021|1351|doi:10.1002/ejoc.202100017


CCDC 2056458: Experimental Crystal Structure Determination;Choury, Mickael;2021;Cambridge Crystallographic Data Centre


CCDC 2058646: Experimental Crystal Structure Determination;Rémy, Marine;2021;Cambridge Crystallographic Data Centre

Related Article: Marine Rémy, Iwona Nierengarten, Boram Park, Michel Holler, Uwe Hahn, Jean‐François Nierengarten|2021|Chem.-Eur.J.|27|8492|doi:10.1002/chem.202100943


CCDC 2058647: Experimental Crystal Structure Determination;Rémy, Marine;2021;Cambridge Crystallographic Data Centre


[2]-[bis(3,4,5-trimethoxyphenyl) dodecanedioate]-[4,9,14,19,24,26,29,31,33,35-decaethoxypillar[5]arene]-rotaxane diethyl ether solvate

CCDC 2059867: Experimental Crystal Structure Determination;Rémy, Marine;2021;Cambridge Crystallographic Data Centre


CCDC 2076758: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre

Related Article: Elena Vulpe, Sylvain Grosjean, Zahid Hassan, Véronique Bulach, Mir Wais Hosseini, Stefan Bräse|2021|CrystEngComm|23|4247|doi:10.1039/D1CE00494H


CCDC 2076759: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 2076760: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 2076761: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 2076762: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 2076763: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 2076764: Experimental Crystal Structure Determination;Vulpe, Elena;2021;Cambridge Crystallographic Data Centre


CCDC 1848775: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre

Related Article: Romain Pertschi, Solène Miaskiewicz, Nicolas Kern, Jean-Marc Weibel, Patrick Pale, Aurélien Blanc|2021|Chem Cat.|1|129|doi:10.1016/j.checat.2021.02.004


CCDC 1862796: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre


CCDC 1936597: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre


Abstract: Abstract Background The hippocampus is a critical organ for irradiation. Thus, we explored changes in hippocampal volume according to the dose delivered and the location relative to the glioblastoma. Methods All patients were treated for glioblastoma with surgery, concomitant radiotherapy and temozolomide, and adjuvant temozolomide. Hippocampi were retrospectively delineated on three MRIs, performed at baseline, at the time of relapse, and on the last MRI available at the end of follow-up. A total of 98, 96, and 82 hippocampi were measured in the 49 patients included in the study, respectively. The patients were stratified into three subgroups according to the dose delivered to 40% of the hippocampus. In the group 1 (n = 6), the hippocampal D40% was 7.4 Gy. Results Regardless of the time of measurement, homolateral hippocampal volumes were significantly lower than those contralateral to the tumor. Regardless of the side, the volumes at the last MRI were significantly lower than those measured at baseline. There was a significant correlation among the decrease in hippocampal volume regardless of its side, and Dmax (p = 0.001), D98% (p = 0.028) and D40% (p = 0.0002). After adjustment for the time of MRI, these correlations remained significant. According to the D40% and volume at MRIlast, the hippocampi decreased by 4 mm3/Gy overall. Conclusions There was a significant relationship between the radiotherapy dose and decrease in hippocampal volume. However, at the lowest doses, the hippocampi seem to exhibit an adaptive increase in their volume, which could indicate a plasticity effect. Consequently, shielding at least one hippocampus by delivering the lowest possible dose is recommended so that cognitive function can be preserved. Trial registration Retrospectively registered.

Role of hippocampal location and radiation dose in glioblastoma patients with hippocampal atrophy;Clara Le Fèvre;2021;figshare


CCDC 1936619: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre


CCDC 1862856: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre


CCDC 1936620: Experimental Crystal Structure Determination;Pertschi, Romain;2021;Cambridge Crystallographic Data Centre


Optoregulated force application to cellular receptors using molecular motors;Yijun Zheng;2021;Universität des Saarlandes


CCDC 2072522: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre

Related Article: Piotr W. Zabierowski, Olivier Jeannin, Thomas Fix, Jean-François Guillemoles, Loïc J. Charbonnière, Aline M. Nonat|2021|Inorg.Chem.|60|8304|doi:10.1021/acs.inorgchem.1c00938


CCDC 2072523: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre


CCDC 2072524: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre


CCDC 2072526: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre


CCDC 2072527: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre


CCDC 2072525: Experimental Crystal Structure Determination;Zabierowski, Piotr W.;2021;Cambridge Crystallographic Data Centre


CCDC 1893079: Experimental Crystal Structure Determination;Lucas, Fabien;2019;Cambridge Crystallographic Data Centre

Related Article: Fabien Lucas, Nemo McIntosh, Emmanuel Jacques, Christophe Lebreton, Benoît Heinrich, Bertrand Donnio, Olivier Jeannin, Joëlle Rault-Berthelot, Cassandre Quinton, Jérôme Cornil, Cyril Poriel|2021|J.Am.Chem.Soc.|143|8804|doi:10.1021/jacs.1c03240 Related Article: Fabien Lucas, Lambert Sicard, Olivier Jeannin, Joëlle Rault‐Berthelot, Emmanuel Jacques, Cassandre Quinton, Cyril Poriel|2019|Chem.-Eur.J.|25|7740|doi:10.1002/chem.201901066


CCDC 2055214: Experimental Crystal Structure Determination;Lucas, Fabien;2021;Cambridge Crystallographic Data Centre

Related Article: Fabien Lucas, Nemo McIntosh, Emmanuel Jacques, Christophe Lebreton, Benoît Heinrich, Bertrand Donnio, Olivier Jeannin, Joëlle Rault-Berthelot, Cassandre Quinton, Jérôme Cornil, Cyril Poriel|2021|J.Am.Chem.Soc.|143|8804|doi:10.1021/jacs.1c03240


CCDC 2055215: Experimental Crystal Structure Determination;Lucas, Fabien;2021;Cambridge Crystallographic Data Centre


Abstract: Additional file 2.

Additional file 2 of 2020 WSES guidelines for the detection and management of bile duct injury during cholecystectomy;Nicola de’Angelis;2021;figshare


Abstract: Additional file 1.

Additional file 1 of 2020 WSES guidelines for the detection and management of bile duct injury during cholecystectomy;Nicola de’Angelis;2021;figshare