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111 results for “Anions”
Hydrazones in anion transporters: The detrimental effect of a second binding site
<p>Synthetic anion transporters can be developed using anion receptors that are able to bind the anion and stabilize it in the lipophilic interior of a bilayer membrane, and they usually contain functional groups with acidic NHs, such as ureas, thioureas and squaramides. To assess the suitability of acylhydrazones as a new functional group for the preparation of anion transporters, we have studied a family of thioureas functionalized with these and related functional groups. 1H NMR titrations and DFT calculations indicate that the thioureas bearing acylhydrazone groups behave as chloride receptors with two separate binding sites, of which the acylhydrazone binds weaker than the thiourea. Chloride transport studies show that the additional binding site has a detrimental effect on thiourea-based transporters, and this phenomenon is also observed for bis(thio)ureas with two separate binding sites. We propose that the presence of a second anion binding unit hinders the transport activity of the thiourea due to additional interactions with the phospholipids of the membrane. In agreement with this hypothesis, extensive molecular dynamics simulations suggest that the molecules will tend to be positioned in the water/lipid interface, driven by the interaction of the NHs of the thiourea and of the acylhydrazone groups with the POPC polar head groups and water molecules. Moreover, the interaction energies show that the poorest transporters have indeed the strongest interactions with the membrane phospholipids, inhibiting chloride transport. This detrimental effect of additional functional groups on transport activity should be considered when designing new ion transporters, unless these groups cooperatively promote anion recognition and transmembrane transport.</p>
A tetrathiafulvalene salt of the nitrite (NO2−) anion: investigations of the spin-Peierls phase
<p>SQUID and EPR data of the publication</p> <p>Contain Data, metadata, source code and figures</p>
Colloidal network oleogels structured by sonothermal conjugates of sodium caseinate and anionic gums
<p>The raw data of Maillard conjugates, Maillard conjugate-stabilized emulsions and oleogels.</p> <p>The optical microscopic images of Maillard conjugate-stabilized emulsions.</p> <p>Centrifugation and storage stability of emulsions.</p> <p> </p>
A global LC-MS2-based methodology to identify and quantify anionic phospholipids in plant samples
<p>This table contains peaks aera values from LC-MS used to develop a method for identification and quantification of anionic lipid in plant sample: Genva et al. 2023: “A global LC-MS2-based methodology to identify and quantify anionic phospholipids in plant samples”</p>
Data from: "Fragmentation and detachment of hot copper and silver dimer anions: a comparison"
<p>The files found here are text files with data related to the article: "Fragmentation and detachment of hot copper and silver dimer anions: a comparison" published in Phys Rev A (DOI: 10.1103/PhysRevA.107.062824). The files contain the information necessary to reproduce all figures containing data from the experiment or from the described calculations. Each file contains a header explaining the data sets which follow.</p>
A Study to Evaluate the Effect of Single-Dose Intravenous Rifampin as a Prototypic Inhibitor of Organic Anion Transporting Polypeptide (OATP) 1B1 and OATP1B3 on the Single-Dose Pharmacokinetics (PK) o
ClinicalTrials.gov study NCT04121078. IPD Sharing: YES. Countries: 1. Publications: 1.
Chemokines kill bacteria without triggering antimicrobial resistance by binding anionic phospholipids
Open the record for dataset details and reuse information.
Chemokines kill bacteria by binding anionic phospholipids without triggering antimicrobial resistance
Open the record for dataset details and reuse information.
McMurdo Dry Valleys Cation, Anion Concentrations Along Lake Sediment/Water Interface
As part of the Long Term Ecological Research (LTER) project in the McMurdo Dry Valleys of Antarctica, a systematic aqueous geochemical sampling program has been undertaken. A series of water samples have been collected and analyzed for major ion chemistry by ion chromatography. The concentrations of ions cover a wide range of total dissolved solids from fresh to hypersaline lake waters. This dataset shows concentrations of lithium, sodium, potassium, magnesium, calcium, iron, chlorine, bromine, and SO4 found along the sediment/water interface of Taylor Valley lakes.
Data for: Optogenetic inhibition of behavior with anion channelrhodopsins
<p>Data for: Potent optogenetic inhibition of behavior with anion channelrhodopsins, a study available at bioRxiv https://doi.org/10.1101/082255</p> <p><strong>Abstract</strong><br> Optogenetics employs light exposure to manipulate physiology in genetically modified organisms. There are abundant tools for optogenetic excitation, but the limitations of current photo-inhibitors present an obstacle to demonstrating the necessity of neuronal circuits. Here we show that anion channelrhodopsins can be used to specifically and rapidly inhibit neural systems involved in Drosophila locomotion, wing expansion, memory retrieval and gustation, demonstrating their broad utility to the circuit analysis of behavior.</p>
Photodissociation of permanganate (MnO4-) produces the manganese dioxide anion (MnO2-) in an excited triplet state
<p>The photoelectron spectra of MnO4-, including thermionic emission and photodetachment of the photodissociation product MnO2-, recorded at photon energies of 2.53, 2.48 and 2.43 eV, and the electron action spectrum recorded at photon energies between 2.81 and 2.06 eV. </p>
Data from: programming co-assembled peptide nanofiber morphology via anionic amino acid type: insights from molecular dynamics simulations
<p>Co-assembling peptides can be crafted into supramolecular biomaterials for use in biotechnological applications, such as cell culture scaffolds, drug delivery, biosensors, and tissue engineering. Peptide co-assembly refers to the spontaneous organization of two different peptides into a supramolecular architecture. Here we use molecular dynamics simulations to quantify the effect of anionic amino acid type on co-assembly dynamics and nanofiber structure in binary CATCH(+/-) peptide systems. CATCH peptide sequences follow a general pattern: CQCFCFCFCQC, where all C's are either a positively charged or a negatively charged amino acid. Specifically, we investigate the effect of substituting aspartic acid residues for the glutamic acid residues in the established CATCH(6E-) molecule, while keeping CATCH(6K+) unchanged. Our results show that structures consisting of CATCH(6K+) and CATCH(6D-) form flatter β-sheets, have stronger interactions between charged residues on opposing β-sheet faces, and have slower co-assembly kinetics than structures consisting of CATCH(6K+) and CATCH(6E-). Knowledge of the effect of sidechain type on assembly dynamics and fibrillar structure can help guide the development of advanced biomaterials and grant insight into sequence-to-structure relationships.</p>
Supplementary data: Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism
<p>This data repository contains the output files of density-functional theory (DFT) calculations that were used for the paper "Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism". </p>
Supporting molecular simulations data for "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells"
<p>Supporting molecular simulations data for "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells"</p>
Anion exchange chromatography-mass spectrometry to characterize proteoforms of alpha-1-acid glycoprotein during and after pregnancy
<p><span>This data repository contains all previously unpublished raw data files for the manuscript "Anion exchange chromatography-mass spectrometry to characterize proteoforms of alpha-1-acid glycoprotein during and after pregnancy"</span></p>
Supplementary Material for "The Anion Photoelectron Spectrum and Diabatization of Tetrazolyl"
<p>This is the supplementary material for "The Anion Photoelectron Spectrum and Diabatization of Tetrazolyl."</p> <p>The file "README - table of contents.pdf" lays out what information and data is present in each file.</p>
Data for article: 'Synthesis and Reactivity of an Anionic Diazoolefin'
<p>This upload contains raw data (NMR, Mass, IR, UV) files for the article: </p> <p>Bastiaan Kooij, Zhaowen Dong, Farzaneh Fadaei-Tirani, Rosario Scopelliti, and Kay Severin,</p> <p>'Synthesis and Reactivity of an Anionic Diazoolefin' </p> <p>Angew. Chem. Int. Ed. <strong>2023</strong>, DOI: 10.1002/anie.202308625</p>
Dataset The effect of the halide anion on the optical properties of lead halide perovskites
<p>File description:</p> <ul> <li>MAX.cif:</li> </ul> <p>Crystal structure data in CIF (<em>Crystallographic Information File</em>) format for the Figure 1 in the article. https://www.iucr.org/resources/cif</p> <p>The way to obtain the files described below is detailed in the methodology section in the article:</p> <ul> <li>SALIDA.TOT.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)</li> </ul> <p>Date files corresponding to figure 3 in the article labeled as “alpha_{TOT}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p> <ul> <li>SALIDA.Y-X.MAPbX (X=Cl,Br,I, and Y=Pb,Cl,Br,I)</li> </ul> <p>Date files corresponding to figure 3 in the article labeled as “alpha_{YX}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p> <ul> <li>SALIDA.s1Y-s2X.MAPbX (X=Cl,Br,I, Y=Pb,Cl,Br,I, and s1,s2 =s,p,d)</li> </ul> <p>Date files corresponding to figure 4 in the article labeled as “alpha_{s1(Y)-s2(X)}”.</p> <p>First|second column: energy (eV)|absorption coefficient (cm<sup>-1</sup>)</p>
i-Pr2NMgCl·LiCl Enables the Synthesis of Ketones by Direct Addition of Grignard Reagents to Carboxylate Anions - NMR and HRMS data
<p>Primary raw data for the article published in Organic Letters DOI: 10.1021/acs.orglett.9b02899</p>
Data for figures in "Observation of resonances in the transition state region of the F + NH3 reaction using anion photoelectron spectroscopy"
<p>Data for all figures in "Observation of resonances in the transition state region of the F + NH3 reaction using anion photoelectron spectroscopy" and the accompanying supporting information, a manuscript accepted by Nature Chemistry.</p>
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Annotated Behaviour and Observability Dataset (ABODe)
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