Structural modulation of π-conjugated linkers in D-π-A dyes based on Triphenylamine dicyanovinylene framework to explore the NLO properties

A donor-π-acceptor type series of Triphenylamine-dicyanovinylene based chromophores (DPMN1-DPMN11) 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 eV) 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 DPMN1-DPMN11 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 (=526.536-641.756 a.u) and non-linear (βtot =51313.8-314412.661 a.u) response. It was noted that the chromophores containing imidazole in 2nd 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

Additional file 1 of Fused inverse-normal method for integrated differential expression analysis of RNA-seq data

Additional file 1. Document contains interpretation of the fused inverse-normal (FIN) method, details of RNA-seq raw data processing using GALAXY, brief description of the simulation method, results of scenario 2 considered for meta-analysis and Ingenuity pathway analysis results

Additional file 1 of Fused inverse-normal method for integrated differential expression analysis of RNA-seq data

Additional file 1. Document contains interpretation of the fused inverse-normal (FIN) method, details of RNA-seq raw data processing using GALAXY, brief description of the simulation method, results of scenario 2 considered for meta-analysis and Ingenuity pathway analysis results

A Database of the Fluoride Content of Selected Drinks and Foods in the UK and Republic of Ireland

It is important to monitor systemic fluoride (F) intake from foods, drinks and inadvertent toothpaste ingestion in order to minimise risk of dental fluorosis while maximising caries prevention. In collaboration with Newcastle University, we have developed and populated a “fluoride database” which includes the fluoride concentration (µg fluoride per 1g of the product) and content (µg fluoride per 100 g of the product) of a substantial number of food and drink products sold within the UK and Republic of Ireland, representing brands manufactured by leading companies in the European food market. The database is intended as a tool for public health professionals and policy-makers to facilitate monitoring of dietary fluoride intake, particularly in children. This publication provides information on fluoride concentrations of the most commonly consumed food and drink items in the UK, compiled from the results of a range of research projects funded by The Borrow Foundation and Organix Foundation and Food and Environment Research Agency (Fera) Science Ltd. The background to the development of the database is described in our paper published in Caries Research (Zohoori & Maguire, 2016). The wide range of fluoride content within food and drink groups, verified within this fluoride database clearly highlights the need for comprehensive fluoride labelling of food and drink products, particularly those used primarily by infants and very young children (Zohoori & Maguire, 2018)

Biological Clocks as Age Estimation Markers in Animals: From Teeth to DNA, a Review and Meta-analysis (Dataset)

Complete dataset of Methylation and Telomere studies searched, retrieved, analysed, extracted and compared in the review and meta-analysis "Biological Clocks as Age Estimation Markers in Animals: From Teeth to DNA, a Review and Meta-analysis"

Biological Clocks as Age Estimation Markers in Animals: From Teeth to DNA, a Review and Meta-analysis (Dataset)

Complete dataset of Methylation and Telomere studies searched, retrieved, analysed, extracted and compared in the review and meta-analysis "Biological Clocks as Age Estimation Markers in Animals: From Teeth to DNA, a Review and Meta-analysis"

sj-pdf-1-crd-10.1177_14799731211052299 – Supplemental Material for Investigating balance, gait, and physical function in people who have undergone thoracic surgery for a diagnosis of lung cancer: A mixed-methods study

Supplemental Material, sj-pdf-1-crd-10.1177_14799731211052299 for Investigating balance, gait, and physical function in people who have undergone thoracic surgery for a diagnosis of lung cancer: A mixed-methods study by Daniel Tough, Joel Dunning, Jonathan Robinson, John Dixon, Jonathan Ferguson, Ian Paul and Samantha L Harrison in Chronic Respiratory Diseas

Data from: Biological clocks as age estimation markers in animals: a review and meta-analysis

Complete dataset of Methylation and Telomere studies searched, retrieved, analysed, extracted and compared in the review and meta-analysis "Biological clocks as age estimation markers in animals: a review and meta-analysis"

PAReTT: Python Automated Retrieval of Time Tree Data (Windows executable)

A packaged and pre-compiled windows executable of the PAReTT Python package (https://github.com/LSLeClercq/PAReTT

SAS codes from A comprehensive allometric analysis of 2nd digit length to 4th digit length in humans

SAS code