R package for Multivariate Data Analysis

mdatools is an R package for preprocessing, exploring and analysis of multivariate data. The package provides methods mostly common for Chemometrics. It was created for an introductory PhD course on Chemometrics given at Section of Chemical Engineering, Aalborg University

Data for: Effect of individual ions on Rock-Brine-Oil Interactions: A Microcalorimetric Approach

Data from isothermal titration calorimetric measurements applied in the article

Data for: Study of Geothermal Brine Reinjection by help of Microcalorimetry and Core Flooding Experiments

The content of the dataset is. 1. Data from the effluents of the core flooding experiments measured by help of ICP 2. Data from isothermal titration calorimetr

CCDC 299162: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures

Data for: SnO2/Mg combination electron selective layer for Si heterojunction solar cells

they are the origin J-V curv

Speed dating for enzymes! Finding the perfect phosphopantetheinyl transferase partner for your polyketide synthase

Abstract The biosynthetic pathways for the fungal polyketides bikaverin and bostrycoidin, from Fusarium verticillioides and Fusarium solani respectively, were reconstructed and heterologously expressed in S. cerevisiae alongside seven different phosphopantetheinyl transferases (PPTases) from a variety of origins spanning bacterial, yeast and fungal origins. In order to gauge the efficiency of the interaction between the ACP-domains of the polyketide synthases (PKS) and PPTases, each were co-expressed individually and the resulting production of target polyketides were determined after 48 h of growth. In co-expression with both biosynthetic pathways, the PPTase from Fusarium verticillioides (FvPPT1) proved most efficient at producing both bikaverin and bostrycoidin, at 1.4 mg/L and 5.9 mg/L respectively. Furthermore, the remaining PPTases showed the ability to interact with both PKS’s, except for a single PKS-PPTase combination. The results indicate that it is possible to boost the production of a target polyketide, simply by utilizing a more optimal PPTase partner, instead of the commonly used PPTases; NpgA, Gsp and Sfp, from Aspergillus nidulans, Brevibacillus brevis and Bacillus subtilis respectively

MOESM1 of A new vector system for targeted integration and overexpression of genes in the crop pathogen Fusarium solani

Additional file 1. List of primers

Dataset for the tutorial: "Response properties of embedded molecules through the polarizable embedding model"

Dataset for the tutorial "Response properties of embedded molecules through the polarizable embedding model". The abstract is the following: "The polarizable embedding (PE) model is a fragment-based quantum–classical approach aimed at accurate inclusion of environment effects in quantum-mechanical response property calculations. The aim of this tutorial is to give insight into the practical use of the PE model. Starting from a set of molecular structures and until you arrive at the final property, there are many crucial details to consider in order to obtain trustworthy results in an efficient manner. To lower the threshold for new users wanting to explore the use of the PE model, we describe and discuss important aspects related to its practical use. This includes directions on how to generate input files and how to run a calculation." The dataset contains files that can be used in direct connection with the tutorial (getting-started.zip), and an additional set of files that can be used for further exploration (peqm-inputs.zip)

Plug-flow hydrolysis with lignocellulosic residues: effect of hydraulic retention time and thin-sludge recirculation

Abstract Background Two parallel plug-flow reactors were successfully applied as a hydrolysis stage for the anaerobic pre-digestion of maize silage and recalcitrant bedding straw (30% and 66% w/w) under variations of the hydraulic retention time (HRT) and thin-sludge recirculation. Results The study proved that the hydrolysis rate profits from shorter HRTs while the hydrolysis yield remained similar and was limited by a low pH-value with values of 264–310 and 180–200 gO2 kgVS−1 for 30% and 66% of bedding straw correspondingly. Longer HRT led to metabolite accumulation, significantly increased gas production, a higher acid production rate and a 10–18% higher acid yield of 78 gSCCA kgVS−1 for 66% of straw. Thin-sludge recirculation increased the acid yield and stabilized the process, especially at a short HRT. Hydrolysis efficiency can thus be improved by shorter HRT, whereas the acidogenic process performance is increased by longer HRT and thin-sludge recirculation. Two main fermentation patterns of the acidogenic community were found: above a pH-value of 3.8, butyric and acetic acid were the main products, while below a pH-value of 3.5, lactic, acetic and succinic acid were mainly accumulating. During plug-flow digestion with recirculation, at low pH-values, butyric acid remained high compared to all other acids. Both fermentation patterns had virtually equal yields of hydrolysis and acidogenesis and showed good reproducibility among the parallel reactor operation. Conclusions The suitable combination of HRT and thin-sludge recirculation proved to be useful in a plug-flow hydrolysis as primary stage in biorefinery systems with the benefits of a wider feedstock spectrum including feedstock with cellulolytic components at an increased process robustness against changes in the feedstock composition. Graphical Abstrac

MOESM7 of A new vector system for targeted integration and overexpression of genes in the crop pathogen Fusarium solani

Additional file 7. NMR table of javanicin isolated from Fs OE::fsr6