Gaussian 16 calculations

Peptide 13: Ac-WMDDEFAAIMAVHGNALRELADK-OH

Peptide 7: Ac-WMDDEFAAAMAVHGNELRELADK-OH

Portal project

Peptide 25: Ac-WNELRELADK-OH

Gaussi 16 calculations

Growth rescue experiments in Salmonella with Phd protein and peptides 1, 3, 4, 6, 7, 8, 10, 13, 14, 17 and 19

Peptide 16: Ac-WMDDEFAAIMAVHGNELRALADK-OH

Peptide 24: Ac-WMDDEFAAIMAVH-NH2

Introduction:Venovenous extracorporeal membrane oxygenation (VV ECMO) is now considered a reasonable option to salvage acute respiratory distress syndrome (ARDS). However, we lack a rodent model for experimental studies. This study was undertaken to establish an animal model of VV ECMO in ARDS rats.Methods:A total of 18 Sprague-Dawley (SD) rats (350 ± 50 g) were used in this study. Using a rat model of oleic acid (OA)-induced ARDS, VV ECMO was established through cavoatrial cannulation of...

Introduction:Venovenous extracorporeal membrane oxygenation (VV ECMO) is now considered a reasonable option to salvage acute respiratory distress syndrome (ARDS). However, we lack a rodent model for experimental studies. This study was undertaken to establish an animal model of VV ECMO in ARDS rats.Methods:A total of 18 Sprague-Dawley (SD) rats (350 ± 50 g) were used in this study. Using a rat model of oleic acid (OA)-induced ARDS, VV ECMO was established through cavoatrial cannulation of...

Raw and processed data of characterised oxetane products from other nucleophiles.

Raw and processed data of characterised oxetane products from oxetane sulfonyl fluorides

All log files referred to in "Are N-Heteroacenes Responsible for Diffuse Interstellar Bands? Investigating the electronic excited states of protonated polycyclic aromatic heterocycles." Datasets are labelled with the section in the thesis they are used. All structures and labels are in Appendix A of the thesis. Abbreviations used in filenames: "GS" denotes a ground-state geometry optimization "ES" denotes a TD-DFT energy calculation. Zipfile was uploaded at 11.08 am on Monday 28th June 2021. Further .fchk...

Raw and processed data of characterised additional morpholine aminooxetanes.

Over the past few decades, numerous model systems have been discovered that create carbon–carbon bonds from CO. These reactions are of potential relevance to the Fischer-Tropsch (F-T) process, a technology converts syngas mixtures (H2/CO) into mixtures of hydrocarbons. In this paper, a new homogeneous model system that constructs carbon chains from CO is reported. The system exploits the cooperative effect of a transition metal complex and main group reductant. An entire reaction sequence from C1...

DFT data (Gaussian files) for L-LA ring-opening initiated by I-Ag+

(S)-N-(1-Phenylethyl)pivalamide (15)

HF transfer reactions between organic substrates are an incredibly rare class of transformation. Such reactions require the development of new catalytic systems that can promote both defluorination and fluorination steps in a single reaction sequence. Herein, we report a novel catalytic protocol in which an equivalent of HF is generated from a perfluoroarene | nucleophile pair and transferred directly to an alkyne. The reaction is catalysed by [Au(IPr)NiPr2] (IPr =N,N’-1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and is 100 % atom...

N-Phenylbenzamide (10)

N-(4-Methylbenzyl)cinnamamide (19)

Prediction set to compare all the different models.

Calculated VCD Spectra

Crystal structure data

N-Phenyl-2-(thiophen-2-yl)acetamide (31)