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(A) FMDV 3B-3Dpol complex showing the primer peptide in green bound to active site cleft of the polymerase in yellow [20](PDB id. 2F8E), the CVB3 3B-3Dpol complex, showing 3B bound to the back side of the polymerase (in slate) [10] (PDB id. 3CDW) and the EV71 3B-3Dpol complex bound to the base of the polymerase palm (in sand) [11] (PDB id. IKA4). (B) Schematic drawing of the FMDV genome., Peer reviewed

IGPS active site model components and protonation states; visual comparisons of each model side by side with the Active conformation; evaluation of the level of theory; summary of this work in relation to previous studies; NBO calculation details and extended data; ALMO-EDA of fGln213 calculation details and data; absolute energies from geometry optimizations and single point corrections for all evaluated structures; visual representations of optimized geometries and relevant atomic distances of each evaluated transition state; structural comparisons with PLP synthase and CPS; and xyz coordinates of all evaluated geometries., Peer reviewed

Peer reviewed

This dataset contains resting-state functional MRI data used in the study "Non-invasive modulation of human corticostriatal activity" (Caballero-Insaurriaga et al, PNAS, 2023). In this study two datasets were used: one from a transcranial static-magnetic-field stimulation (tSMS) experiment (tSMS20) and another one from the Human Connectome Project (HCP100). The tSMS20 dataset was originally acquired for a previous study tSMS over the Supplementary Motor Area (Pineda-Pardo et al, Commun Biol, 2019). The regions used in the study are also provided. As for the tSMS20 dataset, the stimulation protocol consisted of 30-minute tSMS using a single magnet placed over the supplementary motor area (SMA). Each subject underwent two stimulation sessions (real and sham) in two separate days, whose order was randomized. In each session, structural MRI was acquired before tSMS, and resting-state fMRI before and after. Structural images were T1-weighted (T1w), with 1 mm isotropic voxel. Functional data was acquired in 10 minutes-long sessions, TR/TE 2400/30 ms (250 volumes per session), with 3mm isotropic voxel. The preprocessed resting-state fMRI data are included in this repository (see dataset_description.txt file and Pineda-Pardo et al, Commun Biol, 2019 for more details) As for the HCP100 dataset, only the subject list is included, as data are already publicly available from the HCP initiative., Peer reviewed

Cross-validated classification results in frequencies based on M3., Peer reviewed

Experimental characterization details, additional SEM, XRD, EDX data, reproducibility results, heat capacities, calculation of the Lorenz number, and comparison with previous literature., Peer reviewed

Polyploidy is an extended phenomenon in biology. However, its physiological significance and whether it defines specific cell behaviors is not well understood. Here we study its connection to macroautophagy/autophagy, using the larval respiratory system of Drosophila as a model. This system comprises cells with the same function yet with notably different ploidy status, namely diploid progenitors and their polyploid larval counterparts, the latter destined to die during metamorphosis. We identified an association between polyploidy and autophagy and found that higher endoreplication status correlates with elevated autophagy. Finally, we report that tissue histolysis in the trachea during Drosophila metamorphosis is mediated by autophagy, which triggers the apoptosis of polyploid cells., The work was supported by the Ministerio de Ciencia y Tecnologia from the Spanish Government and by the Generalitat de Catalunya., Peer reviewed

Additional file 1. Supplementary figures., Instituto de Salud Carlos III Consejería de Economía, Innovación, Ciencia y Empleo, Junta de Andalucía, Peer reviewed

Many-body interactions in water are known to be important but difficult to treat in atomistic models and often are included only as a correction. Polarizable models treat them explicitly, with long-range many-body potentials, within their classical approximation. However, their calculation is computationally expensive. Here, we evaluate how relevant the contributions to the many-body interaction associated with different coordination shells are. We calculate the global energy minimum, and the corresponding configuration, for nanoclusters of up to 20 water molecules. We find that including the first coordination shell, i.e., the five-body term of the central molecule, is enough to approximate within 5% the global energy minimum and its structure. We show that this result is valid for three different polarizable models, the Dang–Chang, the MB-pol, and the Kozack–Jordan potentials. This result suggests a strategy to develop many-body potentials for water that are reliable and, at the same time, computationally efficient., Peer reviewed

Supplemental Figure S1. Characterization of 35S:FBN6-RFP lines.-- Supplemental Table S1. Primers used in this work.-- Supplemental Table S2. Phytoene levels in control and NFZ-treated N. benthamiana leaves agroinfiltrated with FBN6 and/or PSY constructs.-- Supplemental Table S3. Photosynthetic pigment levels in N. benthamiana leaves agroinfiltrated with FBN6, PSY, and/or crtB constructs.-- Supplemental Table S4. Photosynthetic pigment levels in etiolated and de-etiolating WT and fbn6 Arabidopsis seedlings.-- Supplemental Table S5. Photosynthetic pigment levels in WT and fbn6 Arabidopsis seedlings exposed to HL., Carotenoids are health-promoting plastidial isoprenoids with essential functions in plants as photoprotectants and photosynthetic pigments in chloroplasts. They also accumulate in specialized plastids named chromoplasts, providing color to non-photosynthetic tissues such as flower petals and ripe fruit. Carotenoid accumulation in chromoplasts requires specialized structures and proteins such as fibrillins (FBNs). The FBN family includes structural components of carotenoid sequestering structures in chromoplasts and members with metabolic roles in chloroplasts and other plastid types. However, the association of FBNs with carotenoids in plastids other than chromoplasts has remained unexplored. Here, we show that Arabidopsis (Arabidopsis thaliana) FBN6 interacts with phytoene synthase (PSY), the first enzyme of the carotenoid pathway. FBN6, but not FBN4 (a FBN that does not interact with PSY), enhances the activity of plant PSY (but not of the bacterial PSY crtB) in Escherichia coli cells. Overexpression of FBN6 in Nicotiana benthamiana leaves results in a higher production of phytoene, the product of PSY activity, whereas loss of FBN6 activity in Arabidopsis mutants dramatically reduces the production of carotenoids during seedling de-etiolation and after exposure to high light. Our work hence demonstrates that FBNs promote not only the accumulation of carotenoids in chromoplasts but also their biosynthesis in chloroplasts., This work was funded by grants from Spanish MCIN/AEI/10.13039/501100011033 and European NextGeneration EU/PRTR and PRIMA programs to M.R.-C. (PID2020-115810GB-I00 and UToPIQ-PCI2021-121941). M.R.-C. is also supported by Generalitat Valenciana (PROMETEU/2021/056 and AGROALNEXT/2022/067). Our group is a member of CaRed (Spanish Carotenoid Network) funded by MCIN/AEI (RED2022-134577-T). A.I.-S. and J.N.-C. received predoctoral fellowships from MCIN/AEI (PRE2018-083610 and PRE2021-098681, respectively)., Peer reviewed