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787 results for “conjugation”
π-Conjugated Metal Free Porphyrin as Organic Cathode for Aluminum Batteries
<p>A metal-free porphyrin (TDPP) with a diphenylamino-Phenyl group is proposed as an electrode for aluminum-based batteries. The electrochemical performance is explored thoroughly. The extended porphyrin conjugated structure by the diphenylamino-phenyl groups shows a reversible capacity of 83 mAh.g-1 at 1 A. g-1 after 200 cycles and good cycling stability.</p>
Discovery and characterization of non-canonical ubiquitin conjugating enzymes
<p>Ubiquitin conjugating enzymes (E2s) play a central role in the enzymatic cascade that leads to the attachment of ubiquitin to a substrate. This process, termed ubiquitylation is required to maintain cellular homeostasis and impacts almost all cellular process. By interacting with multiple E3 ligases, E2s dictate the ubiquitylation landscape within the cell. Since its discovery, ubiquitylation has been regarded as a post-translational modification (PTM) that specifically targets lysine side chains (canonical ubiquitylation). We used Matrix-assisted laser desorption/ionization-time of flight (MALDI-TOF) Mass Spectrometry (MS), to discover and characterize a family of E2s that are instead able to conjugate ubiquitin to serine and/or threonine. We employed structural modelling and prediction tools to identify the key activity determinants that these E2s use to interact with ubiquitin as well as their substrates. Our results identify the missing E2s required for non-canonical ubiquitylation, highlight the versatility of ubiquitin modifications and challenge the view of ubiquitylation as an exclusively lysine specific PTM.</p>
N-type molecular doping of a semicrystalline conjugated polymer through cation exchange
<p>N-type molecular doping of a semicrystalline conjugated polymer through cation exchange was conducted. UV-Vis absorption, photoelectron yield, and x-ray diffraction measurements were conducted to evaluate the resulting doping levels and stability.</p>
Conjugate observation data between DMSP satellites and all-sky imager of Chinese Yellow River station at Ny-Ålesund, Svalbard from January 2005 to December 2009
<p>Chinese Arctic Yellow River Station (YRS) locates at Ny-Ålesund, Svalbard with the geographic coordinates (78.92°N, 11.93°E) and the corrected geomagnetic latitude 76.24°. The relation between local time and universal time is MLT≈UT+3hr. In November 2003, a set of monochromatic auroral observation system was installed at YRS, which is consisted of three identical all-sky imageries (ASIs) with the filters at 427.8nm, 557.7nm and 630.0nm, respectively. DMSP (Defense Meteorological Satellite Program) satellites are a collection of polar-orbit weather satellites launched by the U.S. department of defense. This series of satellites is sun synchronous satellite, which takes about 101 minutes to orbit the earth, has an altitude of about 835-850km, an inclination of about 96°, and crosses the equatorial plane daily from south to north (ascending segment) and from north to south (descending segment) at a fixed time (DMSP F13 is at 05:45LT and 17:45LT, and F15 is at 09:30LT and 21:30LT). DMSP satellite is equipped with Special Sensor for Particle Flux (SSJ/4), which can measure the fluxes of downgoing electrons and ions with energies between from 30eV to 30keV in 19 energy steps (34, 49, 71, 101, 150, 218, 320, 460, 670, 960 eV, and 1.4, 2.1, 3.0, 4.4, 6.5, 9.5, 14.0, 20.5, 29.5 keV), with a time resolution of 1 second. According to the orbit of the DMSP satellites and the observation of the ASIs of YRS, we obtained the conjugate observation periods of the satellite flying over the ASI.</p> <p>During the period from January 2005 to December 2009, a total of 136 conjugate observation events were obtained. Moreover, according to the morphological characteristics of discrete aurora in the all-sky image, 136 events are classified according to four typical forms of dayside discrete auroras, namely 27 events of drapery dayside corona (DDC), 24 events of radial dayside corona (RDC), 37 events of hot-spot aurora (HSA), and 48 events of arc aurora (ARC). The event list of 136 events is recorded in the “asi&dmsp@YRS03-09-v2.xlsx” file. The EPS file gives the trajectory of the DMSP satellite crossing the ASI in each conjugate observation event, while the JPG files are the corresponding all-sky images.</p>
Data and Code For: Closing the Loop Between Microstructure and Charge Transport in Conjugated Polymers by Combining Microscopy and Simulation.
<p>This repository contains the datasets and scripts used in the article "Closing the Loop Between Microstructure and Charge Transport in Conjugated Polymers by Combining Microscopy and Simulation." </p> <p>Contents:</p> <p>4D-STEM data of the polymer PBTTT, annealed at 180C for 2h, vapor doped with the molecule F4TCNQ</p> <ul> <li>3_80x80_ss=10nm_spot9_alpha=p48_cl=480_RT_300kV_33ms_bin=4.zip ("Scan 3", Main case study)</li> <li>05 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> </ul> <p>4D-STEM data of the polymer PBTTT, annealed at 180C for 2h, undoped</p> <ul> <li>10 A1 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> <li>15 A1 CL480 alpha p48 300kV spot11 50ms 80x80 s10.zip</li> </ul> <p>Preprocessed data from "Scan 3." Images are centered, artifacts are removed, and images are binned and converted to radial coordinates.</p> <ul> <li>4D-STEM Preprocessed.zip <ul> <li>sample_preprocessed_data_80x80_ss=10_cl=480__q 1.00 3.00 0.05 a 5.00.npy (medium resolution, wide range, used in paper)</li> <li>sample_data_cube_q_1.0_2.0_0.1_angle_5.npy (low resolution, narrow range)</li> </ul> </li> </ul> <p>Grazing-Incidence Wide-Angle X-ray scattering (GIWAXs) scan of annealed PBTTT, supporting our interpretation of the 4D-STEM data.</p> <ul> <li>3 raw images</li> <li>Calibration files</li> <li>Combined processed image</li> </ul> <p>Spatially resolved diffraction intensity mapped onto a spherical harmonic basis set, for use as an input to structural simulations. One for each of the four 4D-STEM datasets.</p> <ul> <li>spherical_harmonics.zip</li> </ul> <p>Simulated structures of polymer chains based on the processed 4D-STEM data, created using code at https://github.com/SpakowitzLab/wlcsim. Each simulation produced 15 structures using different levels of chain alignment.</p> <ul> <li>chain_geometries.zip <ul> <li>main_dataset_03 (main case study)</li> <li>hi_align_03 (3.3x higher alignment factors than main dataset)</li> <li>undoped_10</li> <li>undoped_15</li> </ul> </li> </ul> <p>Simulations of charge transport through the structures</p> <ul> <li>transport_simulations.zip <ul> <li>ct_16_n100 (explores structural modifications and their effects on mobility)</li> <li>ct_18_n1000 (explores transport in all 4 directions and is used for making GIFs of simulations)</li> <li>ct_20_n1000 (explores the effect of degree of chain alignment)</li> <li>ct_28_n1000 (explores the effect of electric field strength)</li> <li>ct_29_n100 (tracks distances of individual on-chain moves)</li> <li>ct_30_n10000 (uses a high sample size and varied start positions to sample both short-time and long-time mobility)</li> </ul> </li> </ul> <p>Code for 4D-STEM analysis and simulations of charge transport. (Code for structural simulations can be found at https://github.com/SpakowitzLab/wlcsim).</p> <ul> <li>code.zip <ul> <li>preprocess_4dstem.py: package for preprocessing 4D-STEM files</li> <li>flow_fields.py: package for visualizing 4D-STEM data using director maps</li> <li>autocorrelation.py: package for measuring correlation lengths in 4D-STEM data via multiple methods</li> <li>spherical_harmonics.py: package for mapping diffraction intensity onto a spherical harmonic basis set. The results can be used as an input for structural simulations. </li> <li>charge_transfer_assets.py: package for performing charge transfer simulation on simulated chain coordinates</li> </ul> </li> <li>examples.zip <ul> <li>preprocess_demo: sample usage for preprocess_4dstem.py</li> <li>visualization_demo: sample usage for flow_fields.py, autocorrelation.py, and spherical_harmonics.py</li> <li>charge_tranpsort_demo: sample usage for charge_transfer_assets.py</li> <li>paper_figures: shows the code for producing several figures from the paper, using the included simulation datasets. </li> </ul> </li> </ul>
Conjugated polymers for microwave applications: untethered sensing platforms and multifunctional devices
<p>Raw data for the manuscript "Conjugated polymers for microwave applications: untethered sensing platforms and multifunctional devices".</p> <p>In reference to the manuscript, the dataset is organized in three subsets, each related to one of the Figures in the main texts of the article:</p> <ol> <li>The return losses (S11 spectra) from the reconfigurable microwave resonators, in the form of .s1p files, realized with different tuning conjugated polymers;</li> <li>The electrochemical and microwave characterization of an enzymatic reaction cell / microwave resonator assembly;</li> <li>The microwave characterization of a amplitude- and frequency-tunable resonator.</li> </ol>
ScintiPi3 data sets for "First observations of severe scintillation over low-to-mid latitudes driven by quiet-time extreme equatorial plasma bubbles: conjugate measurements enabled by citizen science initiatives"
<p>ScintPi 3.0 data sets for "First observations of severe scintillation over low-to-mid latitudes driven by quiet-time extreme equatorial plasma bubbles: conjugate measurements enabled by citizen science initiatives" by Sousasantos et al. (2024).</p>
Datasets of protein models from plasmids containing conjugative Type 4 Secretion Systems
<p>In the connected article, we have created a database of all modelled protein structures encoded on plasmids that contain conjugative type 4 secretion systems. In this deposition, you will find zip files of all structures modelled by AlphaFold, as well as the ones that were modelled using EMS fold. Further, there the csv file containing the DeepFRI output, as well as a fasta file containing the sequences of the plasmids.</p> <p>The AlphaFold and ESM databases contain the structural models of the curated/triaged proteins, as described in the paper.</p> <p> </p>
Indirect effect of 7-valent and 13-valent pneumococcal conjugated vaccines on pneumococcal pneumonia hospitalizations in elderly
<p>Data base and data dictionary used in the study of indirect effect of 7-valent and 13-valent pneumococcal conjugated vaccines on pneumococcal pneumonia hospitalizations in elderly</p>
A streamlined approach for fluorescence labelling of low copy-number plasmids for determination of conjugation frequency by flow cytometry
<p><span>Bacterial conjugation plays a major role in the dissemination of antibiotic resistance and virulence traits through horizontal transfer of plasmids. </span>Robust <span>measurement</span> of<span> the conjugation frequency of plasmids between bacterial strains and species </span>is therefore important <span>to understand the transfer dynamics </span>and epidemiology <span>of conjugative plasmids. In this study, we present a streamlined experimental approach for fluorescence labelling of low copy-number conjugative plasmids that allows plasmid transfer frequency during filter mating to be measured by flow cytometry. A blue fluorescence gene is inserted into a conjugative plasmid of interest using a simple homologous recombineering procedure. </span><span>A small non-conjugative plasmid, which carries a red fluorescence gene with a toxin-antitoxin system that functions as a plasmid stability module, is used to label the recipient bacterial strain. This offers the dual advantage of circumventing chromosomal modifications of recipient strains and ensuring that the red fluorescence gene-bearing plasmid can be stably maintained in recipient cells in an antibiotic-free environment during conjugation. A strong constitutive promoter allows the two fluorescence genes to be strongly and constitutively expressed from the plasmids, thus allowing flow cytometers to clearly distinguish between donor, recipient and transconjugant populations in a conjugation mix for monitoring conjugation frequencies more precisely over time. </span></p>
DSC for pemetrexed, PEG, GABA, physical mixture of pemetrexed with PEG, physical mixture of pemetrexed with GABA, pemetrexed-PEG conjugate, and pemetrexed-GABA conjugate
<p>This data represent the figures of DSC for pemetrexed, PEG, GABA, physical mixture of pemetrexed with PEG, physical mixture of pemetrexed with GABA, pemetrexed-PEG conjugate, and pemetrexed-GABA conjugate</p>
Dataset for the article "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps including Hydrogen Bonds"
<p>This dataset contains additional material related to the article: "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps including Hydrogen Bonds". The published article can be found at <a href="https://doi.org/10.1021/acs.jctc.3c00613">https://doi.org/10.1021/acs.jctc.3c00613</a>. A preprint is freely available at <a href="https://doi.org/10.26434/chemrxiv-2023-vb01m-v2">https://doi.org/10.26434/chemrxiv-2023-vb01m-v2</a>. Each folder contains a <em>Readme.md</em> for further description.</p>
Data for: A cell surface-binding antibody atlas nominates a MUC18-directed antibody-drug conjugate for targeting melanoma
<p><span>Recent advances in targeted therapy and immunotherapy have substantially improved the treatment of melanoma. However, therapeutic strategies are still needed for unresponsive or treatment-relapsed melanoma patients. To discover antibody-drug conjugate (ADC)-tractable cell surface targets for melanoma, we developed an atlas of melanoma cell surface binding antibodies (pAbs) using a proteome-scale antibody array platform (PETAL). Target identification of pAbs led to development of melanoma cell killing ADCs against LGR6, TRPM1, ASAP1, and MUC18, among others. MUC18 was overexpressed in both tumor cells and tumor-infiltrating blood vessels across major melanoma subtypes, making it a potential dual-compartment and universal melanoma therapeutic target. AMT-253, an MUC18-directed ADC based on topoisomerase I inhibitor exatecan and a self-immolative T moiety, had a higher therapeutic index compared to its microtubule inhibitor-based counterpart and favorable pharmacokinetics and tolerability in monkeys. AMT-253 exhibited MUC18-specific cytotoxicity through DNA damage and apoptosis and a strong bystander killing effect, leading to potent antitumor activities against melanoma cell line and patient-derived xenograft models. Tumor vasculature-targeting by a mouse MUC18-specific antibody-T1000-exatecan conjugate inhibited tumor growth in human melanoma xenografts. Combination therapy of AMT-253 with an anti-angiogenic agent generated higher efficacy than single agent in a mucosal melanoma model. Beyond melanoma, AMT-253 was also efficacious in a wide range of MUC18-expressing solid tumors. Efficient target/antibody discovery in combination with the T moiety-exatecan linker-payload exemplified here may facilitate discovery of new ADC to improve cancer treatment</span><span>.</span></p>
A computational insight on the aromatic amino acids conjugation with [Cp*Rh(H2O)3]2+ by using the MTD/FMO3 approach.
<p>The zip file contains the 3D coordinates of the optimized structures, obtained by sampling each 1 ps of the EC1, EC2 and EC3 trajectories (MTD and MD calculations) and used as input geometries for FMO3 calculations.</p>
Ionospheric Connection Explorer (ICON) conjugate maneuver data used in Harding et al. (2023, submitted)
<p>This dataset provides the processed ICON-MIGHTI neutral winds and ICON-IVM ion drifts that were used in the study by Harding et al. (2023, submitted). Users are welcome to contact me with any questions.</p>
Spin Relaxation of Electron and Hole Polarons in Ambipolar Conjugated Polymers. DataSet
<p>Source Data Set for the publication entitled: "Spin Relaxation of Electron and Hole Polarons in Ambipolar Conjugated Polymers"</p>
Safety of Hib-MenCY-TT Vaccine Versus Licensed Hib Conjugate Vaccine, Given at 12 to 15 Months of Age.
ClinicalTrials.gov study NCT00345683. IPD Sharing: YES. Countries: 2. Publications: 1.
A Phase IIb, Open-Label, Dose Ranging Study of 13-Valent Pneumococcal Conjugate Vaccine in Adults 55 Through 74 Years of Age Previously Vaccinated With 23-Valent Pneumococcal Polysaccharide Vaccine
ClinicalTrials.gov study NCT01654263. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Safety and Immunogenicity Study of a Booster Dose of GSK Biologicals' 10-valent Pneumococcal Conjugate Vaccine.
ClinicalTrials.gov study NCT00370396. IPD Sharing: YES. Countries: 3. Publications: 5.
Co-administration of Pneumococcal Conjugate Vaccine With DTPa-IPV-Hib Versus Co-administration With DTPa-HBV-IPV/Hib
ClinicalTrials.gov study NCT00652951. IPD Sharing: YES. Countries: 1. Publications: 3.
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.