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787 results for “conjugation”
Storm-Time GNSS Propagation at Mid-Latitude Magnetic Conjugate Points
<p>This data set was used to investigate the responses of Total Electron Content (TEC) values at magnetic conjugate points during geomagnetically active conditions. It was performed for three magnetic conjugate pairs of Beijing-Learmonth, Petropavlovsk-Canberra and Bar Harbor-Palmer Station located in the mid-latitude region.</p>
Dataset of article : A phenazine-based conjugated microporous polymer as high performing cathode for aluminium-organic batteries
<p>Data used for preparation of the article : A phenazine-based conjugated microporous polymer as high performing cathode for aluminium-organic batteries</p><p> Abstract of article: </p><p>Here, we present one of the first examples of a phenazine-based hybrid microporous polymer, referred to as IEP-27-SR, utilized as an organic cathode in an aluminium battery with an AlCl3-EMIMCl ionic liquid electrolyte. The preliminary redox and charge storage mechanism of IEP-27-SR was confirmed by ex situ ATR-IR and EDS analyses. The introduction of phenazine active units in a robust microporous framework resulted in a remarkable rate-capability (specific capacity of 116 mAh g-1 at 0.5C with 77% capacity retention at 10C) and notable cycling stability, maintaining 75% of their initial capacity after 3440 charge-discharge cycles at 1C (127 days of continuous cycling). This superior performance compared to reported Al//n-type organic cathode RABs is attributed to the stable 3D porous microstructure and the presence of micro/mesoporosity of IEP-27-SR, which facilitates electrolyte permeability and improves kinetics.</p>
Photophysical results of V-shaped ambipolar, nitrogen-doped π-Conjugated polycyclic aromatic hydrocarbon TADF emitters obtained in the project 2022/45/B/ST5/03712
<p>The files presents photophysical results of the set of emitters analysed for OLED applications in the project NCN OPUS 2022/45/B/ST5/03712.</p> <p>Chem. Commun., 2023,59, 2815-2818</p>
Photophysical results of ambipolar, nitrogen-doped π-Conjugated polycyclic aromatic hydrocarbon TADF emitters obtained in the project 2022/45/B/ST5/03712
<p>The files presents photophysical results of the set of emitters analysed for OLED applications in the project NCN OPUS 2022/45/B/ST5/03712.</p> <p>ACS Appl. Mater. Interfaces 2023, 15, 37728−37740</p>
Sequence and functional analyses of native plasmids from plant pathogenic Gammaproteobacteria: comparative genomics, conjugative mobilization and fitness effects
<p>These data tables are part of the Supplementary Material for Chapter I of the thesis titled <em>"Sequence and Functional Analyses of Native Plasmids from Plant-Pathogenic Gammaproteobacteria: Comparative Genomics, Conjugative Mobilization, and Fitness Effects."</em></p>
Perpendicular Crossing Chains Enable High Mobility in a Non-Crystalline Conjugated Polymer: Molecular Dynamics Forcefields and Structures
<p>This repository contains molecular dynamics forcefields and structures used to produce results described in the research article: "<em>Perpendicular Crossing Chains Enable High Mobility in a Non-Crystalline Conjugated Polymer</em>" published in <em>Proceedings of the National Academy of Sciences</em> (DOI:10.1073/pnas.2403879121)</p> <p>The following data is available:</p> <ul> <li>Coarse-grained forcefields of the conjugated polymer C16-IDTBT (12mer and 24mer).</li> <li>Coarse-grained structures of single chains of C16-IDTBT (12mer and 24mer).</li> <li>Atomistic forcefields of the conjugated polymer C16-IDTBT (12mer and 24mer).</li> <li>Atomistic structures of single chains of C16-IDTBT (12mer and 24mer).</li> <li>Bonded and non-bonded parameter files for the atomistic C16-IDTBT forcefields.</li> <li>Coarse-grained structures of thin film models (1 x C16-IDTBT 24mers, 3 x C16-IDTBT 12mers, 3 x P3HT 48mers, 3 x PffBT4T-2OD 12mers).</li> <li>Backmapped (atomistic) structures of thin film models (1 x C16-IDTBT 24mers, 3 x C16-IDTBT 12mers, 3 x P3HT 48mers, 3 x PffBT4T-2OD 12mers).</li> </ul> <p>Coarse-grained models are based on the Martini 3 forcefield: Souza, P. et al., <em>Nature Methods</em>, 2021, (https://doi.org/10.1038/s41592-021-01098-3). The bonded and nonbonded parameters may be sourced from the Martini website: https://cgmartini.nl/</p> <p>Atomistic models are based on the OPLS-AA forcefield: Kaminski, G. A. et al.,<em> J. Phys. Chem. B</em>, 2001, (https://doi.org/10.1021/jp003919d). The required bonded and nonbonded parameters have been included in this repository for convenience.</p> <p>Please note that the C16-IDTBT atomistic forcefields and single chain structures have previously been published in another repository (https://doi.org/10.11583/DTU.c.5254236.v1). They are included here for completeness.</p> <p>For any further data related to this research article, please contact the authors.</p>
Data from: Conjugative plasmid transfer is limited by prophages but can be overcome by high conjugation rates
<p><span><span><span><span>Antibiotic resistance spread via plasmids is a serious threat to successfully fight infections and makes understanding plasmid transfer in nature crucial to prevent the rise of antibiotic resistance. Studies addressing the dynamics of plasmid conjugation have yet neglected one omnipresent factor: prophages (viruses integrated into bacterial genomes), whose activation can kill host and surrounding bacterial cells. To investigate the impact of prophages on conjugation, we combined experiments and mathematical modelling. Using <em>E. coli</em>, prophage lambda and the multidrug-resistant plasmid RP4 we find that prophages can substantially limit the spread of conjugative plasmids. This inhibitory effect was strongly dependent on environmental conditions and bacterial genetic background. Our empirically parameterized model reproduced experimental dynamics of cells acquiring either the prophage or the plasmid well but failed to predict the number of cells acquiring both elements. This suggests more complex interactions between conjugative plasmids and prophages in sequential infections. Varying phage and plasmid infection parameters over empirically realistic ranges revealed that plasmids can overcome the negative impact of prophages through high conjugation rates. Overall, the presence of prophages introduces an additional death rate for plasmid carriers, the magnitude of which is determined in non-trivial ways by the environment, the phage and the plasmid.</span></span></span></span></p>
Novel gene regulatory networks identified in response to nitro-conjugated linoleic acid in human endothelial cells
<p>A distinct transcriptome regulated by NO<sub>2-</sub>CLA was revealed in primary human coronary artery endothelial cells (HCAECs) through RNA sequencing. </p>
An Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a meta-selective Inverse Sonogashira Coupling
<p>This folder contains the output log files of the study of Pd-catalysed alkynylation</p> <p>entitled "A Linchpin Approach to Access Drug-Pharmacophore Conjugate by Inverse Sonogashira at meta-Position: Experimental and Computational Exploration"</p> <p>The folder structure is organised as below:</p> <p>/0_sm/: starting materials for the reactions</p> <p>/1_alkynylation_of_1b/: alkynylation reaction using substrate 1b, including regioconvergence studies</p> <p>/2_alkynylation_of_1b_aa_ligand/: alkynylation (C-H activation and 1,2-migratory insertion) reaction using MPAA ligand instead of acetate</p> <p>/3_alkynylation_of_1b_copper/: alkynylation involving Cu(OAc)2 additive</p> <p>/4_arene_site_selectivity_ortho_para/: site selectivity studies for C-H activation</p> <p>/5_alternative_oxidative_addition_TSs/: oxidative addition TSs that all have higher activation barriers that 1,2-migratory insertion TSs</p> <p>/6_ethynyltrimethylsilane_1c/: alkynylation reaction using substrate 1c, including regioconvergence studies</p> <p>/7_bromoethynylbenzene_1d/: alkynylation reaction using substrate 1d, including regioconvergence studies</p> <p>/8_other_substrates/: alkynylation reaction using </p> <p> - substrates 1e-1h (TIPS-, TBDMS-, TES-alkynyl bromide and siloxy-substituted alkynyl bromide), </p> <p> - arene substrates 4, 5, 12 having different substituents</p> <p> - substrates for products 17-19 with different DG tether lengths</p> <p>including regioconvergence studies</p>
FIGURES 12–13 in Zygospore morphology in the conjugating green alga Spirotaenia diplohelica (Streptophyta, Zygnematophyceae, Mesotaeniaceae)
FIGURES 12–13. Spirotaenia diplohelica. Drawings of zygospores (after photographs). 12. Zygospore in optical section with adhering remnants of parental cells. 13. Zygospore in multifocus. Scale bar: 10 μm.
FIGURES 6–11. Spirotaenia diplohelica. 6–8 in Zygospore morphology in the conjugating green alga Spirotaenia diplohelica (Streptophyta, Zygnematophyceae, Mesotaeniaceae)
FIGURES 6–11. Spirotaenia diplohelica. 6–8. Focus-through series of one and the same zygospore. 9–11. Zygospores in stages of progressing maturity expressed by a gradual darkening and thickening of the spore wall. Scale bar: 10 μm.
FIGURES 1–5. Spirotaenia diplohelica. 1–3 in Zygospore morphology in the conjugating green alga Spirotaenia diplohelica (Streptophyta, Zygnematophyceae, Mesotaeniaceae)
FIGURES 1–5. Spirotaenia diplohelica. 1–3. vegetative cells, characterized by a double, spiralized chloroplast tape. 4. zygospore with adhering remnants of gametangial cells. 5. zygospore showing overlaying hyaline membrane. Scale bar: 10μm.
Structural modulation of π-conjugated linkers in D-π-A dyes based on Triphenylamine dicyanovinylene framework to explore the NLO properties
<p>A donor-π-acceptor type series of Triphenylamine-dicyanovinylene based chromophores (<b>DPMN1-DPMN11</b>) was designed theoretically by the structural tailoring of π-linkers to exploit changes in the optical properties and their NLO behaviour. Density functional theory (DFT) computations were employed to understand the electronic structures, absorption spectra, charge transfer phenomena and the influence of these structural modifications on NLO properties. Interestingly, all investigated chromophores exhibited lower band gap (2.22-2.60 <i>eV</i>) with broad absorption spectra in the visible region, reflecting the remarkable NLO response. Furthermore, natural Bond Orbital (NBO) findings revealed a strong push-pull mechanism in <b>DPMN1-DPMN11 </b>as donor and π-conjugates exhibited positive, while all acceptors showed negative values. Examination of electronic transitions from donor to acceptor moieties via π-conjugated linkers revealed greater linear (<<i>α</i>>=526.536-641.756 <i>a.u</i>) and non-linear (<i>β</i><sub>tot</sub> =51313.8-314412.661 <i>a.u</i>) response. It was noted that the chromophores containing imidazole in 2<sup>nd</sup> p-linker expressed greater hyperpolarizability when compared with the ones containing pyrrole. This study reveals that by controlling the type of π-spacers, interesting metal-free NLO materials can be designed, which can be valuable for the hi-tech NLO applications.</p>
Adsorbed polymer conjugates to adaptively inhibit blood coagulation activation by medical membranes
<p>Dataset to the manuscript</p> <p><strong>'Adsorbed polymer conjugates to adaptively inhibit blood coagulation activation by medical membranes'</strong></p> <p>Tina Helmecke, Dominik Hahn, André Ruland, Mikhail V. Tsurkan, Manfred F. Maitz, Carsten Werner</p>
Data and code for "An open-source alignment method for multichannel infinite-conjugate microscopes using a ray transfer matrix analysis model"
<p>Original data and code associated with the paper "An open-source alignment method for multichannel infinite-conjugate microscopes using a ray transfer matrix analysis model".<br> <br> Further details on the data are available in the readme.txt files.</p>
FTIR Figures 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 file represent FTIR Figures for pemetrexed, PEG, GABA, physical mixture of pemetrexed with PEG, physical mixture of pemetrexed with GABA, pemetrexed-PEG conjugate, and pemetrexed-GABA conjugate</p>
LC-MS results for unconjugated antibody (Atezolizumab (AtZ)) , pemetrexed-PEG-Atezolizumab (PemPEG-AtZ conjugate), and pemetrexed-GABA-Atezolizumab (PemGABA-AtZ conjugate)
<p>This data represent the figures of LC-MS results for unconjugated antibody (Atezolizumab (AtZ)) , pemetrexed-PEG-Atezolizumab (PemPEG-AtZ conjugate), and pemetrexed-GABA-Atezolizumab (PemGABA-AtZ conjugate)</p>
Retention time with molecular mass detection for pemetrexed, PEG, GABA, Pemetrexed-PEG conjugate, Pemetrexed-GABA conjugate
<p>This data represent the Retention time with molecular mass detection for pemetrexed, PEG, GABA, Pemetrexed-PEG conjugate, Pemetrexed-GABA conjugate</p>
Fig. 5 in Unique guanidine-conjugated catechins from the leaves of Alchornea rugosa and their autophagy modulating activity
Fig. 5. (A) The level of autophagy marker protein expression in cells treated with compounds 4–7. LC3B was determined using the LC3B II/I ratio, which was then standardized against the control group (nontreated group). The p62 protein level was detected, and the expression level was normalized by dividing by the protein level in the control group. (CQ: chloroquine treatment group at 25 μM, Rapa: rapamycin treatment group at 0.25 μM). (B) GFP-mRFP-tagged LC3 puncta after treatment with the test compounds. HEK293 cells were treated with autophagy-regulating compounds 4–7, and LC3 puncta were detected by using confocal microscopy.
Fig. 4 in Unique guanidine-conjugated catechins from the leaves of Alchornea rugosa and their autophagy modulating activity
Fig. 4. Screening for autophagy regulation by compounds (1–9) isolated from A. rugosa in HEK293 cells. HEK293 cells stably expressing GFP-LC3 were treated with 20 μM compounds for 24 h, and confocal imaging was used to examine the production of LC3-GFP puncta.
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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.
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