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4th Centro de Química Estrutural (CQE) Days Meeting 2022
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4th Centro de Química Estrutural (CQE) Days Meeting 2022

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: closed (30 April 2023) | Viewed by 2180

Special Issue Editors

Dr. Ana M. de Matos

E-Mail Website1 Website2
Guest Editor
Centro de Química Estrutural, Institute of Molecular Sciences, Faculdade de Ciências da Universidade de Lisboa, 1749-016 Lisboa, Portugal
Interests: carbohydrate chemistry; organic chemistry; medicinal chemistry; sugar-based drug discovery; antimicrobial resistance; antibiotic research; membrane-targeting drugs; drug-lipid interactions
Special Issues, Collections and Topics in MDPI journals
Dr. Nuno Neng

E-Mail Website
Guest Editor
Centro de Química e Bioquímica, Centro de Química Estrutural, Faculdade de Ciências, Universidade de Lisboa, Lisboa, Portugal
Interests: analytical chemistry; sample preparation; microextraction techniques; chromatography; hyphenated techniques (GC-MS and LC-MS); environmental analysis; biological analysis
Special Issues, Collections and Topics in MDPI journals
Dr. Ana Sofia S. Mestre

E-Mail Website
Guest Editor
Centro de Química Estrutural, Institute of Molecular Sciencies, Departamento de Química e Bioquímica, Faculdade Ciências, Universidade Lisboa, Lisboa, Portugal
Interests: biomass valorization; chars; nanoporous materials; pharmaceutical compounds removal; natural organic matter removal; water treatment; advanced oxidation processes; adsorption; characterization; separation & purification processes; kinetic & equilibrium studies; assays at pilot and full scale
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The Centro de Química Estrutural (CQE) is one of the oldest chemical research units in Portugal. Ranked as Excellent, it integrates the Institute for Molecular Sciences, a recently created Associated Laboratory. Its multi- and interdisciplinary research is organized around four Thematic Lines, linked to major societal challenges: (1) Synthesis, Catalysis and Reactivity; (2) Materials, Soft Matter and NanoChemistry; (3) Sustainable Chemistry for the Environment, Energy, and Manufacturing; (4) Medicinal and Biological Chemistry for Health.

This Special Issue will cover the research performed at Centro de Química Estrutural (CQE) mostly during the 4th edition of the CQE Days meeting, with the intent of sharing the most recent research findings. The list of topics is not confined to those presented in the meeting, and manuscripts discussing advances in methodologies and effects on chemical or biological processes, including experimental, computational, and/or simulation studies are welcomed. Synthesis, catalysis, materials, nanochemistry, chemistry for the environment, energy, and medicinal and biological studies are topics of interest to this issue.

Dr. Ana M. de Matos
Dr. Nuno Neng
Dr. Ana S. Mestre
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • advances in methodologies
  • effects on chemical or biological processes
  • experimental and computational chemistry
  • simulation studies
  • synthesis
  • catalysis
  • materials
  • nanochemistry
  • chemistry for the environment
  • energy
  • medicinal and biological studies

Published Papers (1 paper)

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Research

15 pages, 2528 KiB  
Article
HS-BAμE: A New Alternative Approach for VOCs Analysis—Application for Monitoring Biogenic Emissions from Tree Species
by Oriana C. Gonçalves, Jéssica S. R. F. Cerqueira, Ana S. Mestre, Nuno R. Neng and José M. F. Nogueira
Molecules 2023, 28(3), 1179; https://doi.org/10.3390/molecules28031179 - 25 Jan 2023
Cited by 1 | Viewed by 1444
Abstract
In this work, a new analytical approach is proposed for monitoring biogenic volatile organic compounds (BVOCs) by combining headspace bar adsorptive microextraction (HS-BAμE) with gas chromatography–mass spectrometry (GC-MS). The HS-BAμE methodology was developed, optimized, validated and applied for the analysis of BVOCs emitted [...] Read more.
In this work, a new analytical approach is proposed for monitoring biogenic volatile organic compounds (BVOCs) by combining headspace bar adsorptive microextraction (HS-BAμE) with gas chromatography–mass spectrometry (GC-MS). The HS-BAμE methodology was developed, optimized, validated and applied for the analysis of BVOCs emitted from two tree species (Eucalyptus globulus Labill. and Pinus pinaster Aiton) and compared with headspace solid phase microextraction (HS-SPME), commonly accepted as a reference technique. To achieve optimum experimental conditions, numerous assays were carried out by both methodologies, studying the release of the five major monoterpenoids (α-pinene, β-pinene, myrcene, limonene and 1,8-cineole) from the leaves of the tree species, whereas the maximum selectivity and efficiency were obtained using an activated carbon and PDMS/DVB fiber as sorbent phases for HS-BAμE and HS-SPME, respectively. Under optimized experimental conditions, both methodologies showed similar profiling and proportional responses, although the latter present a higher sensitivity in the analytical configuration used. For the five monoterpenoids studied, acceptable detection limits (LODs = 5.0 μg L−1) and suitable linear dynamic ranges (20.0–100.0 mg L−1; r2 ≥ 0.9959) were achieved, and intra- and inter-day studies proved that both methodologies exhibited good results (RSD and %RE ≤ 19.9%), which indicates a good fit for the assessment of BVOCs by the HS-BAμE/GC-MS methodology. Assays performed on sampled leaves by both optimized and validated methodologies showed high levels of the five major BVOCs released from E. globulus Labill. (10.2 ± 1.3 to 7828.0 ± 40.0 μg g−1) and P. pinaster Aiton (9.2 ± 1.4 to 3503.8 ± 396.3 μg g−1), which might act as potential fuel during forest fire’s propagation, particularly under extreme atmospheric conditions. This is the first time that BAμE technology was applied in the HS sampling mode, and, in addition to other advantages, it has proven to be an effective and promising analytical alternative for monitoring VOCs, given its great simplicity, easy handling and low cost. Full article
(This article belongs to the Special Issue 4th Centro de Química Estrutural (CQE) Days Meeting 2022)
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