ESAS-CSSC 2022 (Day 3)

From 15:00, conference participants could take part in excursions aimed at discovering the beauties of the city of Brno.

A total of three different routes were prepared to choose from with certified guides of the city of Brno on the topic:

• "First time in Brno"
• "Brno legends and curiosities"
• "The best of Brno city centre"

To be continued on Thursday….

💡💡💡 BOOK OF ABSTRACTS ESAS-CSSC 2022

Programme wednesday september 7th

PARALLEL SESSION

MASS SPECTROMETRY

• (Hall P31) CHAIR: WAGNER

8:30 – 9:00 IRMS on the tides of the past

• IL 15: J. ČÁSLAVSKÝ

Isotope ratio mass spectrometry (IRMS) deals with changes in stable isotope ratios; most often, values of δ¹³C (based on the ratio of ¹³C/¹²C) and δ¹⁸O (reflecting the ratio of ¹⁸O/¹⁶O) are evaluated. During the exchanges of carbon and oxygen among the atmosphere, hydrosphere, and biosphere, these isotopic ratios undergo tiny changes, which are referred to as isotopic fractionation, and are also influenced by the current climatic conditions (temperature, precipitation). The actual isotopic ratios are archived in annual tree rings. IRMS could be applied for rediscovering of these values, which are subsequently used for the reconstruction of the paleoclimate in the relevant period.

In this study the values of δ¹³C and δ¹⁸O in the late-wood of oak tree rings (Quercus spp.) from 21 living oaks and from 126 core and disc samples originating from construction timbers, subfossil remains and archaeological excavations of the same genus, dated between 75 BCE and 2018 CE were used for the reconstruction of the paleoclimate in the period mentioned above. All samples were collected in the area of today’s Czech Republic and part of southern Bavaria. The alpha-cellulose was extracted from individual tree rings and analyzed on a VarioPYROcube elemental analyzer connected with Isoprime 100 IRMS. In total, 13,496 δ¹⁸O and 13,584 δ¹³C values from annually resolved and absolutely dated samples were obtained. Based on the proven correlation of the combined inverse δ¹³ C and δ¹⁸O values with Palmer’s drought severity index (1) in June, July, and August during the variability of the period 1901- 2018, the hydroclimate in the last 2110 years was reconstructed with high resolution (2). The results obtained show a constant drying trend during the period under study, together with pluvials around 200, 720 and 1100 and droughts around 40, 590, 950, 1510 and now in the 21 st century. However, the current summer droughts are unprecedented and, with a high probability, are caused by anthropogenic warming.

SSJMM: IRMS on the tides of the past (J. ČÁSLAVSKÝ)

9:00 – 9:20 Stopping efficiency simulation of cryogenic gas stopping cell

• OL 30: A. KOHOUTOVÁ

SSJMM: Stopping efficiency simulation of cryogenic gas stopping cell (A. KOHOUTOVÁ)

9:20 – 9:40 Fluoroproteomics uncovers the effects of fluorinated drugs

• OL 31: E. BULSKA

SSJMM: Fluoroproteomics uncovers the effects of fluorinated drugs (E. BULSKA)

9:40 – 10:00 Structural characterization of hydrophobic hyaluronan derivatives by comprehensive 2D-LC-MS

• OL 32: M. VIDO

SSJMM: Structural characterization of hydrophobic hyaluronan derivatives by comprehensive 2D-LC-MS (M. VIDO)

10:00 – 10:20 The first AMS laboratory in the Czech Republic installed at the Nuclear Physics Institute of the CAS, Řež

• OL 33: J. KUČERA

SSJMM: The first AMS laboratory in the Czech Republic installed at the Nuclear Physics Institute of the CAS, Řež (J. KUČERA)

10:40 – 11:10 COFFEE BREAK

• ATRIUM OF FACULTY OF SOCIAL STUDIES

PARALLEL SESSION

MICROWAVE PLASMA

• (Hall P51) CHAIR: PISONERO

8:30 – 9:00 Optical emission spectrometry coupled with microwave induced plasma – new applications in analytical- and nano-chemistry

• IL 16: M. BOROWSKA

In the last twenty years, optical emission spectrometry coupled with microwave induced plasma (MIP-OES) has become a promising tool in the analytical laboratory for determining different metal species with a high excitation capability and low spectral background. For example, MIP-OES coupled with headspace solid phase microextraction (HS SPME) and thermal desorption (TD) could be applied for determining semi-volatile compounds of analytes after their microwave-assisted extraction. Moreover, MIP-OES could be easily combined with photochemical vapor generation (PCVG), HS SPME and TD for the unified separation and preconcentration of analytes such as mercury compounds. Interestingly, the generation efficiency of Hg vapor in batch-mode PCVG-HS SPME system based on photochemical reduction was improved by thermal reduction effect (1). Thus, this method is a viable alternative to continuous PCVG for the determination of trace-level mercury in real-life samples (1, 2) and could be used in nanomaterial science for characterization of nanoparticle-analyte interaction including kinetics of adsorption of analyte on nanoparticle surface.

One of the most promising approach based on MIP-OES is a newly developed system operating in a single particle mode (SP). SP-MIP-OES is a real-time fast detection mode that allows capture of the light radiation events occurring when individual nanoparticles are vaporized, atomized and excited in the plasma. This technique has been developed for characterizing powder nanomaterials, providing information about their size, dispersity and agglomeration (3). The use of multi-element specific detection by MIP-OES give the possibility to provide multi- dimensional information about size-dependent chemical composition of nanoparticles. Thus, SP-MIP-OES technique enables identifying organic compounds present on the NPs surface and examining the molecular interaction between nanoparticles and other analytes. The nanoparticle-analyte conjugates are characterized by observation of synchronous signals from different particle components.

SSJMM: Optical emission spectrometry coupled with microwave induced plasma – new applications in analytical- and nano-chemistry (M. BOROWSKA)

9:00 – 9:20 Microwave plasma atomic emission spectrometry for metallomics of bioactive rhenium compounds

• OL 34: I. MACHADO

SSJMM: Microwave plasma atomic emission spectrometry for metallomics of bioactive rhenium compounds (I. MACHADO)

9:20 – 9:40 Heavy metals fractions analysis in sewage sludge ash obtained on laboratory scale and from industrial origin

• OL 35: B. CIEŚLIK

SSJMM: Heavy metals fractions analysis in sewage sludge ash obtained on laboratory scale and from industrial origin (B. CIEŚLIK)

9:40 – 10:00 Time travel with honeys - The MP-AES analysis coupled with AMS age determination of Hungarian acacia samples

• OL 36: A. RAGYÁK

SSJMM: Time travel with honeys - The MP-AES analysis coupled with AMS age determination of Hungarian acacia samples (A. RAGYÁK)

10:00 – 10:20 Advances in mercury determination by CV – MIP OES with nitrogen plasma, in drinking and surface water

• OL 37: A. MOLLO

SSJMM: Advances in mercury determination by CV – MIP OES with nitrogen plasma, in drinking and surface water (A. MOLLO)

10:20 – 10:40 Time travel with honeys - The MP-AES analysis coupled with AMS age determination of Hungarian rape, sunflower and multifloral samples

• OL 38: Z. SAJTOS

SSJMM: Time travel with honeys - The MP-AES analysis coupled with AMS age determination of Hungarian rape, sunflower and multifloral samples (Z. SAJTOS)

10:40 – 11:10 COFFEE BREAK

• ATRIUM OF FACULTY OF SOCIAL STUDIES

PARALLEL SESSION

SPECIAL SPECTROSCOPY 1

• (Hall P31) CHAIR: KANTNEROVÁ

11:10 – 11:40 High frequency rapid scan electron spin resonance spectroscopy

• IL 17: P. NEUGEBAUER

From its discovery, electron paramagnetic resonance (EPR) is a constantly developing technique following technological advances in generating and detecting microwaves, creating strong magnetic fields, and fast digitalization, among others. In the talk, I will discuss developments in the field of high-frequency EPR (HFEPR) with a special focus on experiments in the frequency domain compared to the traditional field domain EPR. I will report on the recent development of a high-frequency rapid scan electron spin resonance (FRASCAN) spectrometer at the Brno University of Technology. The basic principle of frequency rapid scan will be explained and compared to conventional methods. I will present significant progress in the experimental determination of Zeeman diagrams (frequency vs. field EPR maps) and discuss the advantages of HFEPR for investigating high-spin systems, particularly single-molecular magnets (SMMs). Besides, we dedicate a section to discuss the advances in the studies of the cyclotron resonance in thin-films and modern solid-state materials like graphene (graphite). Furthermore, the importance of HFEPR for dynamic nuclear polarisation (DNP) is discussed. At last, I will demonstrate the possibility of accessing very short relaxation times (ns) by implementing rapid frequency scans, emphasizing the power of frequency domain EPR. This technique allowed to perform, for the first time, multi-frequency relaxation studies in a single spectrometer at frequencies above 100 GHz.

SSJMM: High frequency rapid scan electron spin resonance spectroscopy (P. NEUGEBAUER)

11:40 – 12:00 Data analysis from catcher foil experiment for cross-sections measurement of 40Ar + 144Sm reaction

• OL 39: A. OPÍCHAL

SSJMM: Data analysis from catcher foil experiment for cross-sections measurement of 40Ar + 144Sm reaction (A. OPÍCHAL)

12:00 – 12:20 Mechanical and gamma-absorption properties of selected heat resistant materials used in development of sealed reaction chambers

• OL 40: M. JIRUŠ

SSJMM: Mechanical and gamma-absorption properties of selected heat resistant materials used in development of sealed reaction chambers (M. JIRUŠ)

12:20 – 12:40 Correlative high-resolution optical and chemical imaging of CsPbBr3 nanocrystals

• OL 41: P. LIŠKA

12:40 – 14:30 LUNCH

• MU RECTORATE

15:00 EXCURSION

• SEE DETAILS IN SOCIAL PROGRAMME

PARALLEL SESSION

SPECIAL PLASMA SPECTROSCOPY

• (Hall P51) CHAIR: BOROWSKA

11:10 – 11:40 GD- and LA-ICP- (TOFMS): two powerful spectroscopy techniques for fast high spatially resolved analysis

• IL 18: J. PISONERO

Plasma-based atomic spectroscopy techniques, such as Glow Discharge Mass Spectrometry (GD-MS), or Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS), provide excellent analytical capabilities for the direct elemental characterization of innovative materials, geological samples or biological tissues. These plasma-based techniques provide high sensitivity and high spatial resolution (depth resolution and/or lateral resolution). Moreover, they complement other well-established analytical techniques, including Auger electron spectroscopy (AES) and secondary ion mass spectrometry (SIMS), providing higher sample throughput analysis. (1)

Glow discharges have gained increasing importance as atomization, excitation and ionization plasma-based sources for depth profiling analysis. Although GDs are operated at rough pressure conditions (1-1000 Pa) they exhibit low matrix effects and good limits of detection (in the range of μg/g-ng/g). GD-based techniques can be applied to a high variety of materials; in particular, using radiofrequency (RF) power, both conducting and insulating materials can be analyzed. Coupling pulsed-RF-GD to TOFMS for fast depth profiling analysis of nanolayers is here described.

Complementarily, techniques based on Laser Ablation such as LA-ICP-MS have been widely used, rapidly evolving into well-established, mature powerful tools for direct, high sensitivity and high lateral resolution analysis in numerous fields such as geology, biology, metallurgy, or environmental sciences (2). Significant research and advances continue to thrive for achieving the fastest, most accurate and efficient analysis, as those focused on improvements such as low dispersion setups and cell geometries for the finest control of aerosol trajectories (3). In this context, the combination of a femtosecond laser ablation unit with fast response and novel ICP-TOFMS technology provides one of the top-most interesting analytical methods for high spatial resolution determination -imaging- in samples of different matrices and nature. In the present work, the potential of this novel ICP-TOFMS is investigated for fast elemental imaging applications and for single spot multielemental analysis. Additionally, the option of configuring the attenuation of the ion signals at different levels in multi-segmented methods allows for the analysis of very highly abundant isotopes next to other low abundant/trace ones boosting the dynamic range of LA-ICP-MS at the low micrometric scale.

11:40 – 12:10 Excitation in a glow discharge and an inductively coupled plasma: similarities and differences

• IL 19: Z. WEISS

SSJMM: Excitation in a glow discharge and an inductively coupled plasma - similarities and differences (Z. WEISS)

12:10 – 12:30 Next generation of dielectric barrier discharge atomizers for ultratrace element analysis

• OL 42: J. KRATZER

SSJMM: Next generation of dielectric barrier discharge atomizers for ultratrace element analysis (J. KRATZER)

12:40 – 14:30 LUNCH

• MU RECTORATE

SSJMM: LUNCH MU RECTORATE

15:00 EXCURSION

• SEE DETAILS IN SOCIAL PROGRAMME