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102 results for “Amide I”
Functionalised beta-keto amides NMR Data
<p>This archive contains raw 1H/13C FIDs and associated data in Bruker-specific format that can be viewed with Bruker’s TopSpin NMR software, ACD/NMR Processor, MNova or other appropriate processing software. The subfolders are named in accordance with the compound numbering in the associated research paper ( doi.org/10.3762/bjoc.14.238 ). In addition to the raw data, each subfolder contains processed spectra in ACD/NMR format. Processing includes Fourier transform and where necessary – apodization and phase correction. This was done with ACD/NMR Processor Academic Edition (v. 12.01).</p>
xbridge_amide_processed
<div> <div> <div>Reference:</div> <div> </div> </div> </div> <div> <div> <div>Spicer, V.; Krokhin, O. V.</div> <div>Peptide Retention Time Prediction in Hydrophilic Interaction Liquid Chromatography. Comparison of Separation Selectivity between Bare Silica and Bonded Stationary Phases. J. Chromatogr. A 2018, 1534, 75–84, DOI: [10.1016/j.chroma.2017.12.046](https://doi.org/10.1016/j.chroma.2017.12.046)</div> </div> </div> <div> </div> <div> <div> <div>All datasets were implemented and curated from:</div> <div> </div> </div> </div> <div> <div> <div>Ma, C.; Ren, Y.; Yang, J.; Ren, Z.; Yang, H.; Liu, S.</div> <div>Improved Peptide Retention Time Prediction in Liquid Chromatography through Deep Learning. Anal. Chem. 2018, 90 (18), 10881–10888. DOI: [10.1021/acs.analchem.8b02386](https://doi.org/10.1021/acs.analchem.8b02386)</div> </div> </div>
Interplay between Li and Na amid co-doped solution-processed Cu2ZnSn(S,Se)4 absorbers for solar cells
<p>Alkali doping and alloying are well-known strategies to improve the performance of Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub> (CZTSSe) absorber based thin film solar cells. The effects of individual light alkali elements such as Li and Na have been thoroughly investigated, with both dopants resulting in significant improvements in performance of CZTSSe solar cells. Here, the combined effects of Li and Na are investigated in a so-called co-doping approach to capture the benefits from both elements simultaneously. In order to do that, various concentrations of Li and Na between 0.0 M and 0.5 M are added to the solution used for spin coating of the precursor layer. After annealing under Se-enriched atmosphere, the two alkali elements displayed mutual dependency of in terms of their concentrations in the CZTSSe absorber layer. Furthermore, both, Li and Na showed signs of forming alloys with the CZTSSe phase. The efficiencies of the best Li-Na co-doped solar cells are above 10%, slightly above the Li baseline thanks to increased open-circuit-voltage and short-circuit current. A non-negligible Na incorporation was observed even in nominally Na-free devices, likely from indirect contamination from the SLG substrate. Further work is needed to better understand Na-poor compositions and draw conclusions relevant to Na-free substrates.</p>
Potentiation of endocannabinoids and other lipid amides prevents hyperalgesia and inflammation in a pre-clinical model of migraine
<p>This dataset comprises the findings obtained in the study aimed at investigating the anti-migraine effects of two URB597 analogs with improved solubility and bioavailability – ARN14633 ([4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate) and ARN14280 ([3-(3-carbamoylphenyl)-4-(difluoromethoxy)phenyl] N-cyclohexylcarbamate), in the migraine rat model based by nitroglycerin (NTG) administration. Two compounds significantly attenuated the nocifensive behavior induced by NTG compared with original URB597 administered in the same conditions. Additionally, both inhibitors reverted the neurobiological changes induced by NTG in specific peripheral and central areas. Although the precise mechanism underlying these effects remains to be elucidated, our results support further investigational studies of FAAH blockade as a potential therapeutic strategy to treat migraine conditions.</p> <p>ARN14633 (1 mg/kg, i.p.), ARN14280 (3 mg/kg, i.p.) and URB597 (2mg/kg, i.p.) were administered to adult male Sprague-Dawley rats 3 hours after NTG injection. One hour after the administration of either compound, rats were subjected to the orofacial formalin test and compared. In addition, the anti-migraine effects of two URB597 analogs were evaluated by neuronal nitric oxide synthase, pain mediators peptides, pro-inflammatory cytokines gene expression and lipid amides levels in specific areas.</p> <p><strong>The in vivo and ex vivo assessments were:</strong></p> <p>1) mRNA expression levels: CGRP, SP, interleukin-6 (IL-6), tumor necrosis factor-alpha (TNF-alpha) and IL-1beta in cervical spinal cord, medulla-pons and trigeminal ganglia. mRNA levels were measured by rt-PCR. All samples were assayed in triplicate and gene expression levels were calculated according to 2−∆∆Ct = 2− (∆Ct gene − ∆Ct housekeeping gene) formula by using Ct (cycle threshold) values.</p> <p>2) Central and peripheral Endocannabinoids levels: Lipid amides levels were measured using a Xevo TQ UPLC-MS/MS system equipped with a reversed-phase BEH C18 column (2.1 × 50 mm, 1.7 μm particle size) (Waters, Milford, USA). The mobile phase consisted of 0.1% formic acid in water as solvent A and 0.1% formic acid in acetonitrile as solvent B. A linear gradient was used: 0.0–0.5 min 20% B; 0.5–2.5 min 20 to 100% B; and 2.5–3.0 min maintained at 100% B. The column was reconditioned to 20% B for 1 min. Analysis time was 4 min and the injection volume was 5 μL.</p> <p><strong>Results in brief</strong></p> <p>ARN14633 and ARN14280 attenuated NTG-induced nocifensive behavior compared with URB597. Additionally, the new FAAH inhibitors reduced transcription of genes encoding neuronal nitric oxide synthase, pain mediators peptides (calcitonin gene-related peptide, substance P) and pro-inflammatory cytokines (tumor necrosis factor-alpha, interleukin-1beta and 6) in the trigeminal ganglion, cervical spinal cord and medulla. Finally, both compounds strongly elevated levels of endocannabinoids and/or other FAAH substrates in cervical spinal cord and medulla, and, to a lesser extent, in the trigeminal ganglia.</p>
Artificial Metalloenzyme-Catalyzed Enantioselective Amidation via Nitrene Insertion in Unactivated C(sp3)–H Bonds
<p>Data underlying the figures in the publication "Artificial Metalloenzyme-Catalyzed Enantioselective Amidation via Nitrene Insertion in Unactivated C(<em>sp</em><sup>3</sup>)–H Bonds" published in <em>J. Am. Chem. Soc.</em>, <strong>2023</strong>, <a href="https://doi.org/10.1021/jacs.3c03969">https://doi.org/10.1021/jacs.3c03969</a>.</p> <p>Table of contents:</p> <ol> <li><strong>ja3c03969_si_001.pdf</strong>: General information, experimental section, figures, schemes, tables, and X-ray reports.</li> <li><strong>ja3c03969_raw_data.zip</strong>: Raw data</li> </ol>
Data set "Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra"
<p>This data set accompanies the publication "Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra" by Julia Brüggemann, Maria Chekmeneva, Mario Wolter, and Christoph R. Jacob (TU Braunschweig, Germany)</p> <p>It contains the following files:</p> <p>Directory 01_structures:</p> <p> - xyz files of all considered molecular structures.</p> <p>Directory 02_2d-ir_data_and_code:</p> <p> - updated version of the code of calculating 2D-IR spectra, initially published in DOI: 10.5281/zenodo.7328312, which can be used to obtain the 2D-IR spectra shown in the publication and its supporting information.</p>
Two dragons emerging from a bowl amid waves
*Two dragons emerging from a bowl amid waves* by Jukō, late 19th C CE, now in the collection of the Minneapolis Institute of Art. [More information here](https://collections.artsmia.org/art/15665/two-dragons-emerging-from-a-bowl-amid-waves-juko) Scanned with a handheld scanner, not photogrammetry, so the original diffuse texture isn't accurate; here we've replaced it with a single color. Source: Objaverse 1.0 / Sketchfab
Cystargolide-based amide and ester Pz analogs as proteasome inhibitors and anticancer agents
Open the record for dataset details and reuse information.
Data from: intertidal mussels as ecosystem engineers: maintenance of invertebrate assemblages amid intertidal stress gradients
Open the record for dataset details and reuse information.
Figure 1. Amide I in Mechanisms of soft tissue and protein preservation in Tyrannosaurus rex
Figure 1. Amide I sub-band localisation of untreated and treated chicken type I collagen in SR-FTIR spectra. Sub-bands (β-sheet, ~1633 cm−1; triple-helix, ~1658–1660 cm−1; intermolecular, ~1683–1690 cm−1) are indicated in the figures. Red traces denote second derivatives of experimental curves. Although the intermolecular sub-band typically presents at lower wavenumber, the identified value was the nearest local minimum in each of the second derivative traces and consistently appears across all samples; therefore, in this sample, the intermolecular sub-band was indexed at 1697–1699 cm−1.
Data from: Distinct spread of DNA and RNA viruses among mammals amid prominent role of domestic species
<p><b>Aim:</b> Emerging infectious diseases arising from pathogen spillover from mammals to humans comprise a substantial health threat. Tracing virus origin and predicting the most likely host species for future spillover events are major objectives in One Health disciplines.</p> <p>We assessed patterns of virus sharing among a large diversity of mammals, including humans and domestic species.</p> <p><b>Location:</b> Global.</p> <p><b>Time period:</b> Current.</p> <p><b>Major taxa studied:</b> Mammals and associated viruses.</p> <p><b>Methods:</b> We used network centrality analysis and trait-based Bayesian hierarchical models to explore patterns of virus sharing among mammals. We analysed a global database that compiled the associations between 1,785 virus species and 725 mammalian host species as sourced from automatic screening of meta-data accompanying published nucleotide sequences between 1950 – 2019.</p> <p><b>Results:</b> We show that based on current evidence, domesticated mammals hold the most central positions in networks of known mammal-virus associations. Among entire host-virus networks, Carnivora and Chiroptera hold central positions for mainly sharing RNA viruses, while Ungulates hold central positions for sharing both RNA and DNA viruses with other host species. We revealed strong evidence that DNA viruses were phylogenetically more host specific than RNA viruses. RNA viruses exhibited low functional host specificity despite an overall tendency to infect phylogenetically related species, signifying high potential to shift across hosts with different ecological niches. The frequencies of sharing viruses among hosts and the proportion of zoonotic viruses in hosts were larger for RNA than DNA viruses.</p> <p><b>Main conclusions:</b> Acknowledging the role of domestic species in addition to host and virus traits in patterns of virus sharing is necessary to improve our understanding of virus spread and spillover in times of global change. Understanding multi-host virus sharing pathways adds focus to curtail disease spread.</p>
Data from: Adaptive genetic markers discriminate migratory runs of Chinook salmon (Oncorhynchus tshawytscha) amid continued gene flow
Neutral genetic markers are routinely used to define distinct units within species that warrant discrete management. Human-induced changes to gene flow however may reduce the power of such an approach. We tested the efficiency of adaptive vs. neutral genetic markers in differentiating temporally divergent migratory runs of Chinook salmon (Oncorhynchus tshawytscha) amid high gene flow owing to artificial propagation and habitat alteration. We compared seven putative migration timing genes to ten microsatellite loci in delineating three migratory groups of Chinook in the Feather River, CA: offspring of fall run hatchery broodstock that returned as adults to freshwater in fall (fall run), spring run offspring that returned in spring (spring run), and fall run offspring that returned in spring (FRS). We found evidence for significant differentiation between the fall and federally-listed threatened spring groups based on divergence at three circadian clock genes (OtsClock1b, OmyFbxw11 and Omy1009UW), but not neutral markers. We thus demonstrate the importance of genetic marker choice in resolving complex life history types. These findings directly impact conservation management strategies and add to previous evidence from Pacific and Atlantic salmon indicating that circadian clock genes influence migration timing.
Fig. 1. Freshwater interdunal swale showing herbaceous vegetation amid dense Myrica- Baccharis shrubs. A in Rediscovery and Habitat Associations of Photuris Bethaniensis McDermott (Coleoptera: Lampyridae)
Fig. 1. Freshwater interdunal swale showing herbaceous vegetation amid dense Myrica- Baccharis shrubs. A large colony of P. bethaniensis was reported from this swale during 1951 and relocated during 1998.
Hydrogen-Bonded Organic Frameworks Based on Endless-Stacked Amides for Iodine Capture and Detection
<p>Raw data of </p>
Machine learning simulation protocol for protein amide II spectra
<p>Machine learning simulation data for protein amide II spectra.</p>
Data From "Radar-Based Deep Learning for Debris Flow Identification amid the Environmental Disturbances"
Open the record for dataset details and reuse information.
Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation
<p>Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation"</p>
Interview Data on Challenges in big data based communication amid C19
<p><strong>Transcriptions of Interview Data that follows the Semi-Structured Interview Guide</strong></p> <p>Introduction</p> <p>Prior to beginning the interview, the research participant is given the option to accept or decline the interview being recorded. The interviewers then explained that the interview is entirely confidential and any references to company names, colleague names, or product names will be redacted from the transcripts and kept anonymous. The research participant’s name will not be used or recorded in the transcript or in the final manuscript. </p> <p>Background</p> <ol> <li> <p>Can you tell us about your education and professional background?</p> </li> </ol> <p>Current role and responsibilities</p> <ol> <li> <p>What is your current role/position? </p> </li> <li> <p>What industry is your company part of?</p> </li> <li> <p>What department are you part of? </p> </li> <li> <p>What area of the business do you support? </p> </li> <li> <p>What types of communications are you creating (e.g. communications channels, deliverables, platforms, etc.)?</p> </li> <li> <p>Are you utilizing RPA, AI, or data visualizations tools to communicate data? If so, how? </p> </li> <li> <p>Who are your stakeholders (who is the audience)?</p> </li> </ol> <p>Data and communications</p> <ol> <li> <p>When communicating data, what are the communication objectives/goals?</p> <ol> <li> <p>What communications problems are seeking to solve?</p> </li> </ol> </li> <li> <p>What type of data do you use in your role? </p> </li> <li> <p>How do you determine which datasets to use and communicate? </p> <ol> <li> <p>How do you assess the datasets for variety, volume, velocity, veracity?</p> </li> </ol> </li> <li> <p>How do you use it? (To describe, predict, diagnose, or make recommendations?)</p> </li> <li> <p>What has been the outcome or impact of using data in communications?</p> </li> <li> <p>How do you measure the impact of your communications?</p> </li> <li> <p>What are the challenges in communicating data?</p> </li> <li> <p>Do you use these communications across regions and international markets?</p> <ol> <li> <p>What are the challenges in communicating data across regions and international markets?</p> </li> <li> <p>What adjustments are required or what factors are taken into consideration when communicating data across countries? </p> </li> </ol> </li> <li> <p>Are these communications shared or utilized across business units, functions, and departments?</p> </li> </ol> <p>Conclusion </p> <ol> <li> <p>What value do your communications add to achieving business objectives? </p> </li> </ol>
Data for: Separation of oil vapor by polyether block amide composite membrane modified with porous materials
<p>The ability of membranes to separate oil vapor is affected by their permeance and selectivity. This study modifies polyether block amide (PEBA) composite membranes with a microporous zeolite, Silicalite-1, or a mesoporous zeolite, MCM-41. The results show that when PEBA composite membranes are modified with these zeolites, the selective layer of the composite membrane is coated more thinly, resulting in a higher flux of organic gas. Silicalite-1 increases the hydrophobicity of the membrane, which facilitates the adsorption of organic vapor on the membrane surface, thus improving the membrane selectivity. In the separation of oil vapor, both modified membranes can effectively increase the gas permeabilities and selectivities. The main mechanism governing gas transport in the MCM-41-modified membrane is Knudsen diffusion, so the selectivity for small molecules is improved more significantly. By contrast, the dissolution–diffusion mechanism is dominant in the Silicalite-1-modified membranes, which considerably increases the selectivity for large molecules.</p>
Data Set (Song et al., Scalable pillar[5]arene-integrated poly(arylate-amide) molecular sieve membranes to separate light gases. Chem. Mater. 2022)
<p>Data Set for the following publication.</p> <p>Song et al., Scalable pillar[5]arene-integrated poly(arylate-amide) molecular sieve membranes to separate light gases. Chem. Mater. 2022.</p>
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