Calibration transfer between NIR instruments using optimally predictive calibration subsets.

In this study, a new approach for the selection of informative standardization samples from the original calibration set for the transfer of a calibration model between NIR instruments is proposed and evaluated. First, a calibration model is developed, after variable selection by the Final Complexity Adapted Models (FCAM) method, using the significance of the PLS regression coefficients (FCAM-SIG) as selection criterion. Then, the resulting model is used for the selection of the best fitting subset of calibration samples with optimally predictive ability, called the optimally predictive calibration subset (OPCS).

Calibration set reduction by the selection of a subset containing the best fitting samples showing optimally predictive ability.

Near-infrared (NIR) spectroscopy is a rapid, non-invasive and cost-effective technique, for which sample pre-treatment is often not required. It is applied for both qualitative and quantitative analyses in various application fields. Often, large calibration sets are used, from which informative subsets can be selected without a loss of meaningful information.

The Planemo toolkit for developing, deploying, and executing scientific data analyses in Galaxy and beyond.

There are thousands of well-maintained high-quality open-source software utilities for all aspects of scientific data analysis. For more than a decade, the Galaxy Project has been providing computational infrastructure and a unified user interface for these tools to make them accessible to a wide range of researchers. To streamline the process of integrating tools and constructing workflows as much as possible, we have developed Planemo, a software development kit for tool and workflow developers and Galaxy power users.

Galaxy Training: A powerful framework for teaching!

There is an ongoing explosion of scientific datasets being generated, brought on by recent technological advances in many areas of the natural sciences. As a result, the life sciences have become increasingly computational in nature, and bioinformatics has taken on a central role in research studies. However, basic computational skills, data analysis, and stewardship are still rarely taught in life science educational programs, resulting in a skills gap in many of the researchers tasked with analysing these big datasets.

Identifying Patient Characteristics Associated With the Occurrence of Post Treatment Non-serious Adverse Events After Cervical Spine Manual Therapy Treatment in Patients With Neck Pain.

Objectives: To compare prevalence rates of serious and non-serious adverse events after manipulation and mobilization and to identify risk factors of serious and non-serious adverse events following 4 types of manual therapy treatment in patients with neck pain.

Design: A prospective cohort study in primary care manual therapy practice.

Participants: Patients with neck pain (N=686) provided data on adverse events after 1014 manipulation treatments, 829 mobilization treatments, 437 combined manipulation and mobilization treatments, and 891 treatments consisting of "other treatment modality".

Improved modelling for low-correlated multiple responses by common-subset-of-independent-variables partial-least-squares.

In this study, a new approach for PLS modelling for low-correlated multiple responses, called Common-Subset-of-Independent-Variables Partial-Least-Squares, denoted as CSIV-PLS1, is proposed and evaluated. In CSIV-PLS1, for each response vector, individual PLS1 models with individual model complexities are developed, based on one common set of independent variables, obtained after variable selection by the Final Complexity Adapted Models method, using the absolute values of the PLS regression coefficients, denoted as FCAM-REG. CSIV-PLS1 combines a common variable set for all response vectors, which is a characteristic of PLS2, with the individual model complexity for each response, which is a characteristic of PLS1.

Improved multi-class discrimination by Common-Subset-of-Independent-Variables Partial-Least-Squares Discriminant Analysis.

In this study, a new PLS-DA modelling approach for multi-class discriminant analysis, called Common-Subset-of-Independent-Variables Partial-Least-Squares Discriminant Analysis is proposed and evaluated. Because in this method Partial-Least-Squares models for one component are used, it is denoted as CSIV-PLS1-DA. In this method for each class vector, individual PLS1 models with individual model complexities are developed, based on one common set of independent variables, obtained after variable selection by the Final Complexity Adapted Models method, using the absolute values of the PLS regression coefficients, denoted as FCAM-REG.

24(R, S)-Saringosterol - From artefact to a biological medical agent.

Enhancing the cholesterol turnover in the brain via activation of liver x receptors can restore memory in a mouse model for Alzheimer's disease. The edible Asian brown alga Sargassum fusiforme (Hijiki) contains high amounts of oxysterols such as (3β, 24ξ)-stigmasta-5, 28-dien-3, 24-diol (24[R, S]-saringosterol) that are a potent liver x receptor agonists. We aimed to find native European seaweed species with contents of 24(R, S)-saringosterol that are comparable to those found in Sargassum fusiforme.

Fostering accessible online education using Galaxy as an e-learning platform.

The COVID-19 pandemic is shifting teaching to an online setting all over the world. The Galaxy framework facilitates the online learning process and makes it accessible by providing a library of high-quality community-curated training materials, enabling easy access to data and tools, and facilitates sharing achievements and progress between students and instructors. By combining Galaxy with robust communication channels, effective instruction can be designed inclusively, regardless of the students' environments.

Recovery expectations of neck pain patients do not predict treatments outcome in manual therapy.

Patient recovery expectations can predict treatment outcome. Little is known about the association of patient recovery expectations on treatment outcome in patients with neck pain consulting a manual therapist. This study evaluates the predictive value of recovery expectations in neck pain patients consulting manual therapists in the Netherlands.

Improvement of quantitative structure-retention relationship models for chromatographic retention prediction of peptides applying individual local partial least squares models.

In Reversed-Phase Liquid Chromatography, Quantitative Structure-Retention Relationship (QSRR) models for retention prediction of peptides can be built, starting from large sets of theoretical molecular descriptors. Good predictive QSRR models can be obtained after selecting the most informative descriptors. Reliable retention prediction may be an aid in the correct identification of proteins/peptides in proteomics and in chromatographic method development.

Comparing the range of musculoskeletal therapies applied by physical therapists with postgraduate qualifications in manual therapy in patients with non-specific neck pain with international guidelines and recommendations: An observational study.

The aim of this study is to compare Dutch usual care musculoskeletal therapy in patients with non-specific neck pain with recommendations from international clinical practice guidelines. Physical therapy is diverse, as it may consist of exercise, massage, advice, and other modalities. Physical therapists with post graduate qualifications in manual therapy (MT) may additionally apply spinal thrust manipulation or non-thrust mobilization techniques to treat neck pain.

Recovery for all in the community; position paper on principles and key elements of community-based mental health care.

Background: Service providers throughout Europe have identified the need to define how high-quality community-based mental health care looks to organize their own services and to inform governments, commissioners and funders. In 2016, representatives of mental health care service providers, networks, umbrella organizations and knowledge institutes in Europe came together to establish the European Community Mental Health Services Provider (EUCOMS) Network. This network developed a shared vision on the principles and key elements of community mental health care in different contexts.

LRP10 genetic variants in familial Parkinson's disease and dementia with Lewy bodies: a genome-wide linkage and sequencing study.

Background: Most patients with Parkinson's disease, Parkinson's disease dementia, and dementia with Lewy bodies do not carry mutations in known disease-causing genes. The aim of this study was to identify a novel gene implicated in the development of these disorders.

Methods: Our study was done in three stages.

Finding the Ledge: Sagittal Analysis of Bony Landmarks of the Orbit.

Purpose: This study determined the average distances and angles between anatomic landmarks within the orbit, with an emphasis on localization of the orbital process of the palatine bone. This information will help the surgeon with treatment planning and surgical procedures.

Patients And Methods: Four anatomic landmarks were identified retrospectively on computed tomograms of 100 adult Caucasian patients (50 men and 50 women): the top of the infraorbital margin superior to the infraorbital foramen (point A), the top of the orbital process of the palatine bone (point B), the anteriormost bony portion of the superior orbital fissure (point C), and the ventrolateral aspect of the bony entrance of the optic canal (point D).

Improved variable reduction in partial least squares modelling by Global-Minimum Error Uninformative-Variable Elimination.

The calibration performance of Partial Least Squares regression (PLS) can be improved by eliminating uninformative variables. For PLS, many variable elimination methods have been developed. One is the Uninformative-Variable Elimination for PLS (UVE-PLS).

The use of chemometrics to study multifunctional indole alkaloids from Psychotria nemorosa (Palicourea comb. nov.). Part II: Indication of peaks related to the inhibition of butyrylcholinesterase and monoamine oxidase-A.

Psychotria nemorosa is chemically characterized by indole alkaloids and displays significant inhibitory activity on butyrylcholinesterase (BChE) and monoamine oxidase-A (MAO-A), both enzymes related to neurodegenerative disorders. In the present study, 43 samples of P. nemorosa leaves were extracted and fractionated in accordance to previously optimized methods (see Part I).

Predictors of treatment dropout in self-guided web-based interventions for depression: an 'individual patient data' meta-analysis.

Background: It is well known that web-based interventions can be effective treatments for depression. However, dropout rates in web-based interventions are typically high, especially in self-guided web-based interventions. Rigorous empirical evidence regarding factors influencing dropout in self-guided web-based interventions is lacking due to small study sample sizes.

Comparison of capillary electrophoresis-mass spectrometry and hydrophilic interaction chromatography-mass spectrometry for anionic metabolic profiling of urine.

In order to assess the utility of a recently developed capillary electrophoresis-mass spectrometry (CE-MS) method for the study of anionic metabolites in urine, a comparison was made with hydrophilic interaction chromatography-MS (HILIC-MS) using negative electrospray ionization. After optimization of the HILIC conditions, a gradient employing 10mM ammonium acetate (pH 6.8) in acetonitrile-water (5 min 90% acetonitrile followed by 90%-50% acetonitrile in 10 min) was selected, providing baseline separation of five representative anionic test metabolites.

Mary Seacole: global nurse extraordinaire.

Aims: A discussion of recently discovered literature that reveals how after the Crimean War ended in 1856, Jamaican nurse, doctress and entrepreneur Mary Seacole travelled more widely and gained further international recognition than had previously been appreciated.

Background: New findings demonstrate that Seacole's international charitable and business activities were reported more widely than realised. Recently discovered literature uncovers her networking and strategic skills in various social milieus.

Specificity of the transport of lipid II by FtsW in Escherichia coli.

Synthesis of biogenic membranes requires transbilayer movement of lipid-linked sugar molecules. This biological process, which is fundamental in prokaryotic cells, remains as yet not clearly understood. In order to obtain insights into the molecular basis of its mode of action, we analyzed the structure-function relationship between Lipid II, the important building block of the bacterial cell wall, and its inner membrane-localized transporter FtsW.

The psychometric properties of the PABS-PT in neck pain patients: a validation study.

Objective: This study aims to assess the reliability and validity of the Pain Attitudes and Beliefs Scale for Physiotherapists (PABS-PT) in neck pain patients. Three research goals were formulated. (1): to reexamine the factor structure of the PABS-PT, (2) to assess the test-retest reliability of the PABS-PT and (3) to determine the construct validity of the biomedical factor of the PABS-PT.

Hydrophilic interaction chromatography-mass spectrometry for anionic metabolic profiling of urine from antibiotic-treated rats.

Hydrophilic interaction chromatography-mass spectrometry (HILIC-MS) was used for anionic metabolic profiling of urine from antibiotic-treated rats to study microbial-host co-metabolism. Rats were treated with the antibiotics penicillin G and streptomycin sulfate for four or eight days and compared to a control group. Urine samples were collected at day zero, four and eight, and analyzed by HILIC-MS.