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Various lung diseases exist and affect hundreds of millions of people of all ages worldwide. The available treatments usually focus only on decreasing the symptoms rather than thoroughly treating the disease. The aim of this study is to implement and optimise a comprehensive and robust method to discover potential metabolites that could lead to more targeted treatments. In this regard, HS-SPME-GC×GC-ToFMS was optimised for the analysis of bronchoalveolar lavages (BAL) from patients diagnosed with various lung diseases, using a mixture of BAL samples (i.e., pooled QC BALF). This study highlighted that the normal column combination (Rxi®-5ms × Rxi®-17Sil MS) is the most suitable configuration due to its comprehensive extraction performance. Owing to its multiple phases allowing the extraction of a wider range of molecular weights and volatilities, the PDMS/CAR/DVB fibre gave the most accurate results in comparison with the five-assessed SPME fibres. Finally, 40 °C and 30 min were found to be the best compromise between extraction time and incubation temperature. This optimal response was reached by implementing a design of experiment based on a central composite design approach. Moreover, an exploratory statistical analysis was performed on the analysed samples using the optimised method. The outcome of such statistical evaluation was the determination of potentially significant metabolites associated with each investigated disease.
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Wine is a widely consumed beverage due to its unique and pleasant sensory properties. Wine is composed of more than one thousand chemical compounds (e.g., alcohols, esters, acids, terpenoids, phenolic compounds, flavonoids, anthocyanins, minerals, and vitamins, among others) resulting from several chemical and biochemical processes. Microextraction techniques in tandem with high-resolution analytical instruments have been applied by wine researchers to expand the knowledge of wine’s chemical composition with the purposes of improving wine quality, supporting winemaker decisions related to the winemaking process, and guaranteeing the authenticity of wine. As a result, we proposed “Chemical/Instrumental Approaches to the Evaluation of Wine Chemistry” as a topic for a Special Issue in Molecules. This Special Issue aims to provide an update on state-of-the-art extraction procedures (e.g., solid-phase microextraction (SPME)) and analytical tools (e.g., nuclear magnetic resonance (NMR), inductively coupled plasma mass spectrometry (ICP-MS), ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS)), emphasizing their use as suitable platforms for the establishment of the chemical composition of wine (volatomic profile, antioxidants, phenolic pattern, and elemental composition, among others). Information related to wine sensorial properties, contaminants, authenticity, and chemometric tools used for data treatment are described in this Issue.
n/a --- nanoparticle tracking analysis --- sweeteners --- health risk assessment --- metals --- volatile phenols --- aggregation --- cyclodextrins --- antioxidant activity --- seed tannin --- trace elements --- sherry wine --- HS–SPME --- atomic absorption --- Bee pollen --- photo-diode array detector (PDA) --- biological aging --- triterpenoid saponins --- VOCs --- gas chromatography-mass spectrometry --- charged aerosol detection (CAD) --- anthocyanins --- health potential --- dessert wine --- hydrogels --- potential odorants --- nuclear magnetic resonance --- GC–qMS --- Primula veris L. --- mannoprotein --- Brettanomyces --- ionic exchange resin --- Chinese wine --- arabinogalactan --- ICP-MS --- activator --- flavonoids --- smoke taint --- wine --- cowslip --- white spirits --- estimated daily intake --- HS-SPME --- GC-qMS
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This book represents a collection of contributions in the field of the synthesis and characterization of chemical compounds, natural products, chemical reactivity, and computational chemistry. Among its contents, the reader will find high-quality, peer-reviewed research and review articles that were published in the open access journal Compounds by members of the Editorial Board and the authors invited by the Editorial Office and Editor-in-Chief.
Technology: general issues --- Chemical engineering --- atropisomerism --- 4,4′-bipyridine --- pyridine N-oxidation --- halogenation --- halogen bond --- cyanation --- Finkelstein reaction --- Suzuki coupling --- Orchis --- scent --- gas chromatography --- mass spectrometry --- solid-phase microextraction --- quantum chemistry --- computational chemistry --- molecular dynamics --- modeling --- open-source software --- proprietary software --- Himantoglossum --- solid phase microextraction --- iodination --- alkanes --- alkenes --- alkynes --- alkyl carbonyls --- elemental iodine --- iodides --- Zutano variety --- avocado oil --- Soxhlet extraction --- ultrasound-assisted extraction --- volatiles --- ripening --- over-ripe --- HS-SPME–GC–MS --- Basilicata --- Barlia robertiana --- Himantoglossum robertianum --- mantel test --- Orchidaceae --- pollination syndrome --- Italy --- volatile compounds --- solvolysis --- aryldiazonium ions --- perchlorate anions --- silicon carbide (SiC) --- 3C-SiC powder --- 4H-SiC crystal --- impurities --- photoluminescence --- pnictogen bonding --- nitrogen as pnictogen bond donor --- geometries --- crystal structure analysis --- ICSD and CSD database analyses --- MESP characterizations --- sum of the van der Waals radii concept --- Dactylorhiza --- volatile organic compounds --- thiosemicarbazone --- metal complexes --- DNA interactions --- biological activity --- thiazolidinedione --- microwave synthesis --- compound library --- rosiglitazone --- Knoevangel condensation --- biodiesel production --- crude glycerin --- carbon materials --- n/a --- 4,4'-bipyridine --- HS-SPME-GC-MS
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This book represents a guide to the academic, scientific and clinical applications of saliva as a diagnostic fluid. This volume is written by leaders in multiple fields and fulfills a demand for a broad understanding of saliva across a range of disciplines.
Medicine --- salivary biomarkers --- oral neoplasia --- periodontal disease/periodontitis --- smoking --- ethanol consumption --- real-time quantitative PCR --- enzyme-linked immune-sorbent assay --- immunohistochemistry --- bacteria --- HS-SPME-GC-MS --- MALDI-TOF MS --- silver nanoparticles --- VOCs --- obesity --- periodontitis --- cytokine --- inflammation --- saliva --- biomarkers --- oral cancer --- oral lichen planus --- psoriasis --- oral diseases --- oxidative stress --- antioxidants --- plaque psoriasis --- salivary glands --- cytokines --- nitrosative stress --- IgA --- alpha-amylase --- uric acid --- stress --- dental implants --- corrosion --- titanium --- metallic ions --- human papillomavirus --- oropharyngeal cancer --- meta-analysis --- salivary biomarkers --- oral neoplasia --- periodontal disease/periodontitis --- smoking --- ethanol consumption --- real-time quantitative PCR --- enzyme-linked immune-sorbent assay --- immunohistochemistry --- bacteria --- HS-SPME-GC-MS --- MALDI-TOF MS --- silver nanoparticles --- VOCs --- obesity --- periodontitis --- cytokine --- inflammation --- saliva --- biomarkers --- oral cancer --- oral lichen planus --- psoriasis --- oral diseases --- oxidative stress --- antioxidants --- plaque psoriasis --- salivary glands --- cytokines --- nitrosative stress --- IgA --- alpha-amylase --- uric acid --- stress --- dental implants --- corrosion --- titanium --- metallic ions --- human papillomavirus --- oropharyngeal cancer --- meta-analysis
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This book represents a guide to the academic, scientific and clinical applications of saliva as a diagnostic fluid. This volume is written by leaders in multiple fields and fulfills a demand for a broad understanding of saliva across a range of disciplines.
salivary biomarkers --- oral neoplasia --- periodontal disease/periodontitis --- smoking --- ethanol consumption --- real-time quantitative PCR --- enzyme-linked immune-sorbent assay --- immunohistochemistry --- bacteria --- HS-SPME-GC-MS --- MALDI-TOF MS --- silver nanoparticles --- VOCs --- obesity --- periodontitis --- cytokine --- inflammation --- saliva --- biomarkers --- oral cancer --- oral lichen planus --- psoriasis --- oral diseases --- oxidative stress --- antioxidants --- plaque psoriasis --- salivary glands --- cytokines --- nitrosative stress --- IgA --- alpha-amylase --- uric acid --- stress --- dental implants --- corrosion --- titanium --- metallic ions --- human papillomavirus --- oropharyngeal cancer --- meta-analysis --- n/a
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Given the continuous consumer demand for products of high quality and specific origin, there is a great tendency toward the application of multiple instrumental techniques for the complete characterization of foodstuffs or related natural products. Spectrometric techniques usually offer a full and rapid screenshot of a product’s composition and properties by the determination of specific biomolecules such as sugars, minerals, polyphenols, volatile compounds, amino acids, and organic acids. The present Special Issue aimed firstly to enhance the advances of the application of spectrometric techniques such as gas chromatography coupled to mass spectrometry (GC-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), isotope-ratio mass spectrometry (IRMS), nuclear magnetic resonance (NMR), Raman spectroscopy, or any other spectrometric technique, in the analysis of foodstuffs such as meat, milk, cheese, potatoes, vegetables, fruits/fruit juices, honey, olive oil, chocolate, and other natural products. An additional goal was to fill the gap between food composition/food properties/natural product properties and food/natural product authenticity, using supervised and nonsupervised chemometrics.
Research & information: general --- characterization --- beekeepers’ honey --- minerals --- inductively coupled plasma optical emission spectrometry (ICP-OES) --- chemometrics --- HPTLC --- LC–HRMS --- PCA --- metabolomics --- Arbutus unedo --- antioxidant activities --- honey variety --- honey code --- HS-SPME/GC-MS --- data handling --- data bank --- fluorescence --- rapeseed oil --- multiway analysis --- parallel factor analysis (PARAFAC) --- multivariate regression --- caffeine --- 16-O-methylcafestol --- kahweol --- furfuryl alcohol --- tetramethylsilane (TMS) --- magnetic resonance spectroscopy --- validation studies --- hyperspectral imaging --- jowl meat --- minced pork --- meat adulteration --- visualization --- oilseeds --- Caatinga --- native --- spectrometry --- honey --- adulteration --- feature variable --- partial least square regression --- laser-induced breakdown spectroscopy --- mushroom --- Pleurotus --- glucan --- ergosterol --- mid-infrared spectroscopy --- FTIR --- spectroscopy --- prediction --- coffee --- meat --- Pleurotus mushrooms
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Given the continuous consumer demand for products of high quality and specific origin, there is a great tendency toward the application of multiple instrumental techniques for the complete characterization of foodstuffs or related natural products. Spectrometric techniques usually offer a full and rapid screenshot of a product’s composition and properties by the determination of specific biomolecules such as sugars, minerals, polyphenols, volatile compounds, amino acids, and organic acids. The present Special Issue aimed firstly to enhance the advances of the application of spectrometric techniques such as gas chromatography coupled to mass spectrometry (GC-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), isotope-ratio mass spectrometry (IRMS), nuclear magnetic resonance (NMR), Raman spectroscopy, or any other spectrometric technique, in the analysis of foodstuffs such as meat, milk, cheese, potatoes, vegetables, fruits/fruit juices, honey, olive oil, chocolate, and other natural products. An additional goal was to fill the gap between food composition/food properties/natural product properties and food/natural product authenticity, using supervised and nonsupervised chemometrics.
characterization --- beekeepers’ honey --- minerals --- inductively coupled plasma optical emission spectrometry (ICP-OES) --- chemometrics --- HPTLC --- LC–HRMS --- PCA --- metabolomics --- Arbutus unedo --- antioxidant activities --- honey variety --- honey code --- HS-SPME/GC-MS --- data handling --- data bank --- fluorescence --- rapeseed oil --- multiway analysis --- parallel factor analysis (PARAFAC) --- multivariate regression --- caffeine --- 16-O-methylcafestol --- kahweol --- furfuryl alcohol --- tetramethylsilane (TMS) --- magnetic resonance spectroscopy --- validation studies --- hyperspectral imaging --- jowl meat --- minced pork --- meat adulteration --- visualization --- oilseeds --- Caatinga --- native --- spectrometry --- honey --- adulteration --- feature variable --- partial least square regression --- laser-induced breakdown spectroscopy --- mushroom --- Pleurotus --- glucan --- ergosterol --- mid-infrared spectroscopy --- FTIR --- spectroscopy --- prediction --- coffee --- meat --- Pleurotus mushrooms
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This Special Issue, “Research as a Development Perspective”, is dedicated to data presented at the first Conference in Chemistry for Graduate/Postgraduate Students and PhD candidates at Aristotle University of Thessaloniki, which was the outcome of research conducted by young chemists in Northern Greece. The conference was organized by the Chemistry Department at Aristotle University of Thessaloniki, the Association of Greek Chemists-Division of Central and Western Macedonia, and the Association of Chemists in Northern Greece. The scope of this conference was to provide young chemists (but also last year’s students) with the opportunity to be well prepared for their next career steps in an increasingly demanding job market. Moreover, they had the possibility of presenting their scientific results to a large audience, which strengthened their soft skills. Lastly, the active engagement of students in the organization of the conference enhanced their teamwork abilities, a highly valuable when developing professional maturity.
HPLC-DAD --- bisphenol A --- 4-Hydroxybenzoic Acid --- 4-Hydroxyacetophenone hydroquinone --- Lactococcus lactis --- reversed-phase liquid chromatography --- ionizable and non-ionizable analytes --- isocratic and gradient elution in different eluent pHs --- computer-assisted separation optimization --- visualization of predicted chromatograms --- silk fibroin --- drug delivery --- magnetic silk fibroin --- bovine serum albumin --- food --- sample preparation techniques --- sulfonamides --- high-performance liquid chromatography --- HPLC --- ultra-high-performance liquid chromatography --- UHPLC --- Derveni --- Ancient Macedonia --- micro-XRF --- XRD --- HS-SPME/GC-MS --- ancient medicines --- ancient pharmaceuticals --- shellfish purple --- porphyra --- high-tin bronzes --- bronzes --- phosphorus --- boron --- inductively coupled plasma --- atomic emission spectrometry --- fertilizers --- acid dissolution --- wet digestion --- NSAIDs --- derivatization --- GC-MS --- serum
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Given the continuous consumer demand for products of high quality and specific origin, there is a great tendency toward the application of multiple instrumental techniques for the complete characterization of foodstuffs or related natural products. Spectrometric techniques usually offer a full and rapid screenshot of a product’s composition and properties by the determination of specific biomolecules such as sugars, minerals, polyphenols, volatile compounds, amino acids, and organic acids. The present Special Issue aimed firstly to enhance the advances of the application of spectrometric techniques such as gas chromatography coupled to mass spectrometry (GC-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), isotope-ratio mass spectrometry (IRMS), nuclear magnetic resonance (NMR), Raman spectroscopy, or any other spectrometric technique, in the analysis of foodstuffs such as meat, milk, cheese, potatoes, vegetables, fruits/fruit juices, honey, olive oil, chocolate, and other natural products. An additional goal was to fill the gap between food composition/food properties/natural product properties and food/natural product authenticity, using supervised and nonsupervised chemometrics.
Research & information: general --- characterization --- beekeepers’ honey --- minerals --- inductively coupled plasma optical emission spectrometry (ICP-OES) --- chemometrics --- HPTLC --- LC–HRMS --- PCA --- metabolomics --- Arbutus unedo --- antioxidant activities --- honey variety --- honey code --- HS-SPME/GC-MS --- data handling --- data bank --- fluorescence --- rapeseed oil --- multiway analysis --- parallel factor analysis (PARAFAC) --- multivariate regression --- caffeine --- 16-O-methylcafestol --- kahweol --- furfuryl alcohol --- tetramethylsilane (TMS) --- magnetic resonance spectroscopy --- validation studies --- hyperspectral imaging --- jowl meat --- minced pork --- meat adulteration --- visualization --- oilseeds --- Caatinga --- native --- spectrometry --- honey --- adulteration --- feature variable --- partial least square regression --- laser-induced breakdown spectroscopy --- mushroom --- Pleurotus --- glucan --- ergosterol --- mid-infrared spectroscopy --- FTIR --- spectroscopy --- prediction --- coffee --- meat --- Pleurotus mushrooms --- characterization --- beekeepers’ honey --- minerals --- inductively coupled plasma optical emission spectrometry (ICP-OES) --- chemometrics --- HPTLC --- LC–HRMS --- PCA --- metabolomics --- Arbutus unedo --- antioxidant activities --- honey variety --- honey code --- HS-SPME/GC-MS --- data handling --- data bank --- fluorescence --- rapeseed oil --- multiway analysis --- parallel factor analysis (PARAFAC) --- multivariate regression --- caffeine --- 16-O-methylcafestol --- kahweol --- furfuryl alcohol --- tetramethylsilane (TMS) --- magnetic resonance spectroscopy --- validation studies --- hyperspectral imaging --- jowl meat --- minced pork --- meat adulteration --- visualization --- oilseeds --- Caatinga --- native --- spectrometry --- honey --- adulteration --- feature variable --- partial least square regression --- laser-induced breakdown spectroscopy --- mushroom --- Pleurotus --- glucan --- ergosterol --- mid-infrared spectroscopy --- FTIR --- spectroscopy --- prediction --- coffee --- meat --- Pleurotus mushrooms
Choose an application
This Special Issue, “Research as a Development Perspective”, is dedicated to data presented at the first Conference in Chemistry for Graduate/Postgraduate Students and PhD candidates at Aristotle University of Thessaloniki, which was the outcome of research conducted by young chemists in Northern Greece. The conference was organized by the Chemistry Department at Aristotle University of Thessaloniki, the Association of Greek Chemists-Division of Central and Western Macedonia, and the Association of Chemists in Northern Greece. The scope of this conference was to provide young chemists (but also last year’s students) with the opportunity to be well prepared for their next career steps in an increasingly demanding job market. Moreover, they had the possibility of presenting their scientific results to a large audience, which strengthened their soft skills. Lastly, the active engagement of students in the organization of the conference enhanced their teamwork abilities, a highly valuable when developing professional maturity.
Research & information: general --- HPLC-DAD --- bisphenol A --- 4-Hydroxybenzoic Acid --- 4-Hydroxyacetophenone hydroquinone --- Lactococcus lactis --- reversed-phase liquid chromatography --- ionizable and non-ionizable analytes --- isocratic and gradient elution in different eluent pHs --- computer-assisted separation optimization --- visualization of predicted chromatograms --- silk fibroin --- drug delivery --- magnetic silk fibroin --- bovine serum albumin --- food --- sample preparation techniques --- sulfonamides --- high-performance liquid chromatography --- HPLC --- ultra-high-performance liquid chromatography --- UHPLC --- Derveni --- Ancient Macedonia --- micro-XRF --- XRD --- HS-SPME/GC-MS --- ancient medicines --- ancient pharmaceuticals --- shellfish purple --- porphyra --- high-tin bronzes --- bronzes --- phosphorus --- boron --- inductively coupled plasma --- atomic emission spectrometry --- fertilizers --- acid dissolution --- wet digestion --- NSAIDs --- derivatization --- GC-MS --- serum --- HPLC-DAD --- bisphenol A --- 4-Hydroxybenzoic Acid --- 4-Hydroxyacetophenone hydroquinone --- Lactococcus lactis --- reversed-phase liquid chromatography --- ionizable and non-ionizable analytes --- isocratic and gradient elution in different eluent pHs --- computer-assisted separation optimization --- visualization of predicted chromatograms --- silk fibroin --- drug delivery --- magnetic silk fibroin --- bovine serum albumin --- food --- sample preparation techniques --- sulfonamides --- high-performance liquid chromatography --- HPLC --- ultra-high-performance liquid chromatography --- UHPLC --- Derveni --- Ancient Macedonia --- micro-XRF --- XRD --- HS-SPME/GC-MS --- ancient medicines --- ancient pharmaceuticals --- shellfish purple --- porphyra --- high-tin bronzes --- bronzes --- phosphorus --- boron --- inductively coupled plasma --- atomic emission spectrometry --- fertilizers --- acid dissolution --- wet digestion --- NSAIDs --- derivatization --- GC-MS --- serum
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