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Lista de obras de Royston Goodacre

1H NMR, GC-EI-TOFMS, and data set correlation for fruit metabolomics: application to spatial metabolite analysis in melon

artículo científico publicado en 2009

A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking in Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths

A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond.

artículo científico publicado en 2018

A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data.

artículo científico publicado en 2014

A comparison of different chemometrics approaches for the robust classification of electronic nose data.

artículo científico publicado en 2014

A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid identification of Bacillus spores and classification of Bacillus species

artículo científico publicado en 2011

A laser desorption ionisation mass spectrometry approach for high throughput metabolomics

A metabolome pipeline: from concept to data to knowledge

article by Marie Brown et al published March 2005 in Metabolomics

A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells

artículo científico publicado en 2014

A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions

artículo científico publicado en 2013

A proposed framework for the description of plant metabolomics experiments and their results

article

A systematic analysis of TCA Escherichia coli mutants reveals suitable genetic backgrounds for enhanced hydrogen and ethanol production using glycerol as main carbon source.

artículo científico publicado en 2015

A tutorial review: Metabolomics and partial least squares-discriminant analysis--a marriage of convenience or a shotgun wedding

artículo científico

ATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53.

artículo científico publicado en 2011

Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method

artículo científico publicado en 2017

Acclimation of metabolism to light in Arabidopsis thaliana: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation

artículo científico publicado en 2015

Achieving optimal SERS through enhanced experimental design

artículo científico publicado en 2016

An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals

artículo científico publicado en 2018

An improved fluorescent amplified fragment length polymorphism method for typing Mycobacterium tuberculosis

artículo científico publicado en 2006

An introduction to liquid chromatography-mass spectrometry instrumentation applied in plant metabolomic analyses

scientific article published on January 2010

Analytical SERS: general discussion.

artículo científico publicado en 2017

Application of HPLC–PDA–MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit

artículo científico publicado en 2019

Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity

artículo científico publicado en 2004

Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI)

artículo científico publicado en 2015

Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition

article

Aseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture ⬇️

artículo científico publicado en 2015

Assessment of adaptive focused acoustics versus manual vortex/freeze-thaw for intracellular metabolite extraction from Streptomyces lividans producing recombinant proteins using GC-MS and multi-block principal component analysis

article

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

artículo científico publicado en 2011

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

scientific article published in 2011

Biochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought

artículo científico publicado en 2016

Biofluids and other techniques: general discussion.

artículo científico publicado en 2016

Biomarkers of dietary energy restriction in women at increased risk of breast cancer.

artículo científico publicado en 2009

COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

artículo científico publicado en 2015

Characterisation and identification of bacteria using SERS.

scientific article published on 26 March 2008

Characterisation of intact microorganisms using electrospray ionisation mass spectrometry

scholarly article by Roy Goodacre published in July 1999

Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics

scientific article published on 01 February 2004

Chemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy

artículo científico publicado en 2008

Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry.

artículo científico publicado en 2003

Chicken, beams, and Campylobacter: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry

artículo científico publicado en 2015

Classification of Bacillus and Brevibacillus species using rapid analysis of lipids by mass spectrometry

artículo científico publicado en 2016

Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods

Clinical Spectroscopy: general discussion.

artículo científico publicado en 2016

Clinical applications of infrared and Raman spectroscopy: state of play and future challenges

artículo científico publicado en 2018

Combining Raman and FT-IR spectroscopy with quantitative isotopic labeling for differentiation of E. coli cells at community and single cell levels

artículo científico publicado en 2015

Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir

artículo científico publicado en 2010

Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks".

artículo científico publicado en 2017

Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity

artículo científico publicado en 2020

Comparing root exudate collection techniques: An improved hybrid method

artículo científico publicado en 2021

Comparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria

scientific article published on 04 October 2004

Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis

artículo científico publicado en 2007

Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population

artículo científico publicado en 2020

Compositional equivalence of grain from multi-trait drought-tolerant maize hybrids to a conventional comparator: univariate and multivariate assessments.

artículo científico publicado en 2014

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

artículo científico publicado en 2017

Correction: Clinical applications of infrared and Raman spectroscopy: state of play and future challenges

artículo científico publicado en 2018

Corrigendum to "Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery" [Drug Discov. Today 19 (2014), 171-182.

artículo científico publicado en 2014

Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples

artículo científico publicado en 2023

DRASTIC(Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction

Data standards can boost metabolomics research, and if there is a will, there is a way

artículo científico publicado en 2016

Detection and quantification of bacterial spoilage in milk and pork meat using MALDI-TOF-MS and multivariate analysis.

artículo científico publicado en 2012

Detection and quantification of exhaled volatile organic compounds in mechanically ventilated patients - comparison of two sampling methods

scientific article published on 26 October 2020

Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering.

artículo científico publicado en 2015

Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering

artículo científico publicado en 2016

Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions ⬇️

artículo científico publicado en 2015

Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy

artículo científico publicado en 2017

Development and Performance of a Gas Chromatography−Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum

article

Differentiation of Micromonospora isolates from a coastal sediment in Wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique

artículo científico publicado en 2004

Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy

artículo científico publicado en 1998

Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction

Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins

artículo científico publicado en 2006

Discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus using pyrolysis mass spectrometry and artificial neural networks.

artículo científico publicado en 1998

Discrimination of Aerobic Endospore-forming Bacteria via Electrospray-Ionization Mass Spectrometry of Whole Cell Suspensions

scientific article published on 01 September 2001

Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics

artículo científico publicado en 2008

Discrimination of bacteria using surface-enhanced Raman spectroscopy

artículo científico publicado en 2004

Discrimination of bacteria using whole organism fingerprinting: the utility of modern physicochemical techniques for bacterial typing

artículo científico publicado en 2020

Dual metabolomics: A novel approach to understanding plant–pathogen interactions

article

Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing

artículo científico publicado en 2012

Dupuytren's: a systems biology disease

artículo científico publicado en 2011

Effective quenching processes for physiologically valid metabolite profiling of suspension cultured Mammalian cells

artículo científico publicado en 2009

Electrochemical modulation of SERS at the liquid/liquid interface

artículo científico publicado en 2014

Electronic cigarette exposure triggers neutrophil inflammatory responses.

artículo científico publicado en 2016

Enhancing surface enhanced Raman scattering (SERS) detection of propranolol with multiobjective evolutionary optimization.

artículo científico publicado en 2012

Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

scholarly article published in Metabolomics

Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men.

artículo científico publicado en 2017

Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of Streptomyces lividans TK24

scientific article published on 22 September 2020

Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait

artículo científico publicado en 2016

Evidence that multiple defects in lipid regulation occur before hyperglycemia during the prodrome of type-2 diabetes.

artículo científico publicado en 2014

Exhaled Volatile Organic Compounds of Infection: A Systematic Review

artículo científico publicado en 2017

Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis

artículo científico publicado en 2017

Explanatory Optimization of Protein Mass Spectrometry via Genetic Search

artículo científico publicado en 2003

Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates

artículo científico publicado en 2009

Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells

artículo científico publicado en 2015

Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics.

artículo científico publicado en 2011

FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in Arabidopsis thaliana

artículo científico publicado en 2016

Fingerprinting food: current technologies for the detection of food adulteration and contamination

artículo científico publicado en 2012

Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification

artículo científico publicado en 2002

Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections

artículo científico publicado en 2002

Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification

artículo científico publicado en 2012

Fourier transform infrared and Raman spectroscopies for the rapid detection, enumeration, and growth interaction of the bacteria Staphylococcus aureus and Lactococcus lactis ssp. cremoris in milk

artículo científico publicado en 2011

Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species.

artículo científico publicado en 2010

Fourier transform infrared spectroscopy as a metabolite fingerprinting tool for monitoring the phenotypic changes in complex bacterial communities capable of degrading phenol.

artículo científico publicado en 2010

Fractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols.

artículo científico publicado en 2016

From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy

artículo científico publicado en 2017

Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block.

artículo científico publicado en 2015

Functional genomics via metabolic footprinting: monitoring metabolite secretion by Escherichia coli tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry

artículo científico publicado en 2003

Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data

artículo científico publicado en 2004

Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry

scholarly article by David I Broadhurst et al published August 1997 in Analytica Chimica Acta

Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites.

artículo científico publicado en 2008

Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies.

artículo científico publicado en 2018

Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS.

artículo científico publicado en 2017

High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation

artículo científico publicado en 2015

High-throughput phenotyping of uropathogenic E. coli isolates with Fourier transform infrared spectroscopy.

artículo científico publicado en 2013

Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays

artículo científico publicado en 2013

Identification and discrimination of oral asaccharolytic Eubacterium spp. by pyrolysis mass spectrometry and artificial neural networks.

artículo científico

Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics

artículo científico publicado en 2005

Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool

artículo científico publicado en 2013

Imaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma

artículo científico publicado en 2008

Impact of silver(I) on the metabolism of Shewanella oneidensis

artículo científico publicado en 2009

Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic Escherichia coli.

artículo científico publicado en 2014

Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins

artículo científico publicado en 2018

Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism

artículo científico publicado en 2017

Influence of missing values substitutes on multivariate analysis of metabolomics data

artículo científico publicado en 2014

Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection.

artículo científico publicado en 2013

Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook

artículo científico publicado en 2011

Intelligent systems for the characterization and quantification of microbial systems from advanced analytical techniques

Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics.

artículo científico publicado en 2009

Intermittent energy restriction induces changes in breast gene expression and systemic metabolism

artículo científico publicado en 2016

Investigating plant–plant interference by metabolic fingerprinting

article

Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer

article

Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts

artículo científico publicado en 2016

Laser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation

artículo científico publicado en 2007

Liquid chromatography-mass spectrometry calibration transfer and metabolomics data fusion

artículo científico publicado en 2012

MALDI-MS and multivariate analysis for the detection and quantification of different milk species.

artículo científico publicado en 2011

MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis.

artículo científico publicado en 2014

Making colourful sense of Raman images of single cells

artículo científico publicado en 2015

Making sense of the metabolome using evolutionary computation: seeing the wood with the trees

artículo científico publicado en 2004

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

artículo científico publicado en 2012

Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics

artículo científico publicado en 2009

Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses

artículo científico publicado en 2006

Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork

artículo científico publicado en 2016

Metabolic Fingerprinting of Pseudomonas putida DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene

artículo científico publicado en 2016

Metabolic Profiling of Geobacter sulfurreducens during Industrial Bioprocess Scale-Up.

artículo científico publicado en 2015

Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit

artículo científico publicado en 2009

Metabolic analysis of the response of Pseudomonas putida DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry

artículo científico publicado en 2016

Metabolic fingerprinting as a diagnostic tool.

artículo científico publicado en 2007

Metabolic fingerprinting as a tool to monitor whole-cell biotransformations

artículo científico publicado en 2010

Metabolic fingerprinting for bio-indication of nitrogen responses in Calluna vulgaris heath communities

article

Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy.

artículo científico publicado en 2006

Metabolic fingerprinting of salt-stressed tomatoes.

artículo científico publicado en 2003

Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links

artículo científico publicado en 2006

Metabolic footprinting as a tool for discriminating between brewing yeasts

article

Metabolic profiling of meat: assessment of pork hygiene and contamination with Salmonella typhimurium

artículo científico publicado en 2010

Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells

artículo científico publicado en 2015

Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils

artículo científico publicado en 2002

Metabolic profiling: pathways in discovery

artículo científico publicado en 2004

Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification

artículo científico publicado en 2015

Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling ⬇️

artículo científico publicado el 28 de julio de 2011

Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness

artículo científico publicado en 2015

Metabolite profiling of recombinant CHO cells: designing tailored feeding regimes that enhance recombinant antibody production

artículo científico publicado en 2011

Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in Shewanella oneidensis

Metabolomic analysis of riboswitch containing E. coli recombinant expression system

artículo científico publicado en 2015

Metabolomic analysis of the interaction between plants and herbivores

article

Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against Botrytis cinerea

article

Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses byBrachypodium distachyonto challenge byMagnaporthe grisea

artículo científico publicado en 2006

Metabolomic technologies and their application to the study of plants and plant-host interactions

artículo científico publicado en 2008

Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of Pseudomonas putida DOT-T1E Cells to Challenge with Propranolol

artículo científico publicado en 2016

Metabolomics and metabolite profiling

artículo científico publicado en 2013

Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery

artículo científico publicado en 2014

Metabolomics by numbers: acquiring and understanding global metabolite data

artículo científico publicado en 2004

Metabolomics for the masses: The future of metabolomics in a personalized world

artículo científico publicado en 2017

Metabolomics in melon: a new opportunity for aroma analysis.

artículo científico publicado en 2014

Metabolomics investigation of recombinant mTNFα production in Streptomyces lividans

artículo científico publicado en 2015

Metabolomics of a superorganism

artículo científico publicado en 2007

Metabolomics reveals the physiological response of Pseudomonas putida KT2440 (UWC1) after pharmaceutical exposure

artículo científico publicado en 2016

Metabolomics shows the way to new discoveries

artículo científico publicado en 2005

Metabolomics-assisted synthetic biology.

artículo científico publicado en 2011

Metabolomics: current technologies and future trends.

artículo científico publicado en 2006

Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide

artículo científico publicado en 2005

Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device

artículo científico publicado en 2012

Molecular phenotyping of a UK population: defining the human serum metabolome

artículo científico publicado en 2015

Monitoring antibody aggregation in early drug development using Raman spectroscopy and perturbation-correlation moving windows

article

Monitoring guanidinium-induced structural changes in ribonuclease proteins using Raman spectroscopy and 2D correlation analysis.

artículo científico publicado en 2013

Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: application to gibberellic acid production

artículo científico publicado en 2002

Monitoring the effects of chiral pharmaceuticals on aquatic microorganisms by metabolic fingerprinting

artículo científico publicado en 2010

Monitoring the glycosylation status of proteins using Raman spectroscopy

artículo científico publicado en 2011

Monitoring the mode of action of antibiotics using Raman spectroscopy: investigating subinhibitory effects of amikacin on Pseudomonas aeruginosa

artículo científico publicado en 2005

Multiobjective evolutionary optimisation for surface-enhanced Raman scattering

artículo científico publicado en 2010

Multiple metabolomics of uropathogenic E. coli reveal different information content in terms of metabolic potential compared to virulence factors

artículo científico publicado en 2014

Multiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS).

artículo científico publicado en 2008

Neural networks and olive oil

artículo científico publicado en 1992

New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. ⬇️

artículo científico publicado en 2015

Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers

article

Noninvasive, On-Line Monitoring of the Biotransformation by Yeast of Glucose to Ethanol Using Dispersive Raman Spectroscopy and Chemometrics

Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds

artículo científico publicado en 2010

On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning

scientific article published on 29 October 2018

On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks

article

Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of Bacillus and Brevibacillus species

artículo científico publicado en 2014

Optimization of parameters for the quantitative surface-enhanced Raman scattering detection of mephedrone using a fractional factorial design and a portable Raman spectrometer

artículo científico publicado en 2012

Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency.

artículo científico publicado en 2015

PYCHEM: a multivariate analysis package for python

artículo científico publicado en 2006

Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding

artículo científico publicado en 2016

Phenotypic Characterisation of Shewanella oneidensis MR-1 Exposed to X-Radiation

artículo científico publicado en 2015

Phenotypic characterization of Shewanella oneidensis MR-1 under aerobic and anaerobic growth conditions by using fourier transform infrared spectroscopy and high-performance liquid chromatography analyses

artículo científico publicado en 2010

Phenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature

artículo científico publicado en 2010

Plant metabolomics and its potential for systems biology research background concepts, technology, and methodology

artículo científico

Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks

article

Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis – moving out of the laboratory and into the food supply chain

article

Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified DNA

artículo científico publicado en 2019

Portable, quantitative detection of Bacillus bacterial spores using surface-enhanced Raman scattering

artículo científico publicado en 2013

Predicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting

artículo científico publicado en 2007

Present and Future of Surface-Enhanced Raman Scattering

scientific article published on 08 October 2019

Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques

artículo científico publicado en 2017

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

article

Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions.

artículo científico publicado en 2015

Progress in Chemometrics and Biostatistics for Plant Applications, or: A Good Red Wine is a Bad White Wine

article

Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis

article

Proposed minimum reporting standards for chemical analysis

artículo científico publicado en 2007

Proposed minimum reporting standards for data analysis in metabolomics

article

Pyrolysis mass spectrometry and its applications in biotechnology.

artículo científico publicado en 1996

Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy

artículo científico publicado en 2007

Quantification of protein glycation using vibrational spectroscopy

scientific article published on 22 April 2020

Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites

artículo científico publicado en 2017

Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering.

artículo científico publicado en 2009

Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics

Quantitative analysis of the pyrolysis—mass spectra of complex mixtures using artificial neural networks: Application to amino acids in glycogen

scholarly article by Royston Goodacre et al published August 1993 in Journal of Analytical and Applied Pyrolysis

Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering via adaptation of the isotopic labelling principle

artículo científico publicado en 2017

Quantitative detection of isotopically enriched E. coli cells by SERS.

artículo científico publicado en 2017

Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix

artículo científico publicado en 2007

Quantitative online liquid chromatography-surface-enhanced Raman scattering of purine bases

artículo científico publicado en 2014

Raman activated cell ejection for isolation of single cells

artículo científico publicado en 2013

Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells

artículo científico publicado en 2010

Raman spectroscopy: lighting up the future of microbial identification.

artículo científico publicado en 2011

Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats

artículo científico publicado en 2019

Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphy

article

Rapid analysis of the expression of heterologous proteins in Escherichia coli using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics: application to alpha 2-interferon production.

artículo científico publicado en 1999

Rapid and quantitative analysis and bioprocesses using pyrolysis mass spectrometry and neural networks: application to indole production

article

Rapid and quantitative analysis of metabolites in fermentor broths using pyrolysis mass spectrometry with supervised learning: application to the screening of Penicillium chrysogenum fermentations for the overproduction of penicillins

Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics

artículo científico publicado en 2008

Rapid and quantitative detection of the microbial spoilage of meat by fourier transform infrared spectroscopy and machine learning

artículo científico publicado en 2002

Rapid assessment of the adulteration of virgin olive oils by other seed oils using pyrolysis mass spectrometry and artificial neural networks

scholarly article by Royston Goodacre et al published 1993 in Journal of the Science of Food and Agriculture

Rapid characterization of N-linked glycans from secreted and gel-purified monoclonal antibodies using MALDI-ToF mass spectrometry.

artículo científico publicado en 2010

Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy

artículo científico publicado en 2006

Rapid identification of closely related muscle foods by vibrational spectroscopy and machine learning.

artículo científico publicado en 2005

Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy

artículo científico publicado en 2005

Rapid monitoring of recombinant antibody production by mammalian cell cultures using fourier transform infrared spectroscopy and chemometrics

artículo científico publicado en 2010

Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics

Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics

artículo científico publicado en 2003

Rapid reagentless quantification of alginate biosynthesis in Pseudomonas fluorescens bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression.

artículo científico publicado en 2012

Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy

scientific article published on 01 December 2018

Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering

artículo científico publicado en 2016

Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms via multiple vibrational spectroscopic fingerprinting

artículo científico publicado en 2016

Real-Time Monitoring of Enzyme-Catalysed Reactions using Deep UV Resonance Raman Spectroscopy.

artículo científico publicado en 2017

Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes

artículo científico publicado en 2017

Relatedness of medically important strains of Saccharomyces cerevisiae as revealed by phylogenetics and metabolomics

artículo científico publicado en 2008

Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level

artículo científico publicado en 2016

Root functional traits explain root exudation rate and composition across a range of grassland species

artículo científico publicado en 2021

SERS Detection of Multiple Anti-microbial Resistant Pathogens using Nanosensors

artículo científico publicado en 2017

SERS in biology/biomedical SERS: general discussion

artículo científico publicado en 2017

SERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective dose

artículo científico publicado en 2016

SYNBIOCHEM-a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals

artículo científico publicado en 2016

Sample preparation in matrix-assisted laser desorption/ionization mass spectrometry of whole bacterial cells and the detection of high mass (>20 kDa) proteins

artículo científico publicado en 2002

Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: influence of instrumental settings and implications for proteomics

artículo científico publicado en 2004

Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in Arabidopsis

artículo científico publicado en 2014

Separating the Inseparable: The Metabolomic Analysis of Plant–Pathogen Interactions

article

Shining light on the microbial world the application of Raman microspectroscopy

scientific article published on 06 March 2010

Simultaneous Raman and Infrared Spectroscopy of Stable Isotope Labelled Escherichia coli

artículo científico publicado en 2022

Simultaneous Raman and infrared spectroscopy: a novel combination for studying bacterial infections at the single cell level

scientific article published in 2022

Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering

artículo científico publicado en 2015

Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering.

artículo científico publicado en 2014

Simultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis

artículo científico publicado en 2015

Single cell analysis/data handling: general discussion

artículo científico publicado en 2016

Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on Micrasterias hardyi.

artículo científico publicado en 2008

Spectral Pathology: general discussion.

artículo científico publicado en 2016

Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.

artículo científico publicado en 2011

Subsurface biomolecular imaging of Streptomyces coelicolor using secondary ion mass spectrometry.

artículo científico publicado en 2008

Surface Enhanced Raman Spectroscopy for Quantitative Analysis: Results of a Large-Scale European Multi-Instrument Interlaboratory Study

scientific article published on 21 February 2020

Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World.

artículo científico publicado en 2018

Surface-Enhanced Raman Scattering from Intracellular and Extracellular Bacterial Locations

artículo científico publicado en 2008

Surface-enhanced Raman scattering for the rapid discrimination of bacteria

artículo científico publicado en 2006

Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface

artículo científico publicado en 2004

Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study.

artículo científico publicado en 2015

Systems biology guided by XCMS Online metabolomics

artículo científico publicado en 2017

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

artículo científico publicado en 2010

TARDIS-based microbial metabolomics: time and relative differences in systems

artículo científico publicado en 2011

TD/GC-MS analysis of volatile markers emitted from mono- and co-cultures of Enterobacter cloacae and Pseudomonas aeruginosa in artificial sputum.

artículo científico publicado en 2018

Taking your breath away: metabolomics breathes life in to personalized medicine.

artículo científico publicado en 2014

The challenge of applying Raman spectroscopy to monitor recombinant antibody production.

artículo científico publicado en 2013

The dogs that did not bark.

artículo científico publicado en 1994

The importance of protonation in the investigation of protein phosphorylation using Raman spectroscopy and Raman optical activity

artículo científico publicado en 2011

The metabolomics standards initiative (MSI)

artículo científico publicado en 2007

The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper

artículo científico publicado en 2012

The rapid identification of Acinetobacter species using Fourier transform infrared spectroscopy.

artículo científico publicado en 2004

The role of metabolites and metabolomics in clinically applicable biomarkers of disease.

scientific article published on 16 October 2010

The role of reporting standards for metabolite annotation and identification in metabolomic studies

scientific article published on 16 October 2013

Theory of SERS enhancement: general discussion.

artículo científico publicado en 2017

Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device.

artículo científico publicado en 2017

Towards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach

artículo científico publicado en 2016

Towards quantitatively reproducible substrates for SERS.

artículo científico publicado en 2008

Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins.

artículo científico publicado en 2018

Two Glycerol-3-Phosphate Dehydrogenases from Chlamydomonas Have Distinct Roles in Lipid Metabolism

artículo científico publicado en 2017

UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines

article

UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis

scientific journal article

Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria

artículo científico publicado en 2004

Ultrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor

artículo científico publicado en 2019

Ultrasensitive and towards single molecule SERS: general discussion

artículo científico publicado en 2017

Untargeted metabolic profiling identifies altered serum metabolites of type 2 diabetes mellitus in a prospective, nested case control study

article by Dagmar Drogan et al published March 2015 in Clinical Chemistry

VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork

artículo científico publicado en 2010

Volatile organic compound signature from co-culture of lung epithelial cell line with Pseudomonas aeruginosa

scientific article published on 07 June 2018

Whole-organism fingerprinting of the genus Carnobacterium using Fourier transform infrared spectroscopy (FT-IR)

artículo científico publicado en 2004

pH plays a role in the mode of action of trimethoprim on Escherichia coli

artículo científico publicado en 2018

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