News from LabRulezICPMS Library - Week 23, 2025
LabRulez: News from LabRulezICPMS Library - Week 23, 2025
Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 2nd June 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!
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This week we bring you application notes by Agilent Technologies, LECO and Shimadzu and technical note by Thermo Fisher Scientific!
1. Agilent Technologies: Measuring Total Naphthalene Hydrocarbons in Aviation Fuels by UV-Vis Spectroscopy
Optimizing photometric accuracy and streamlining data handling with the Agilent Cary 3500 UV-Vis
- Application note
- Full PDF for download
UV-Vis spectroscopy can be used to provide a simple and quick qualitative analysis of aviation engine performance by measuring the concentration of component hydrocarbons in turbine fuel samples.
One method of evaluating aviation engine performance includes characterizing fuel combustion. Naphthalene, a hydrocarbon composed of two aromatic rings and classified as a polycyclic aromatic hydrocarbon1, is commonly used as a fuel additive in kerosene. Low levels of acenaphthene and alkylated derivatives of these hydrocarbons may also be present in jet fuels. Although these naphthalenes constitute only a small percentage of a fuel sample's volume, they disproportionately contribute to the level of particulate matter in engine exhaust.2 They also contribute soot, smoke, and thermal radiation as a result of incomplete combustion.3 Since these combustion properties indicate lower fuel efficiency and a higher risk of pollutant emissions4, it is essential to calculate the total concentration of naphthalene hydrocarbons in aviation fuel.
Through qualitative absorbance measurements and quantitative calculations, the total concentration of naphthalene in a jet fuel sample can be determined by UV-Vis spectroscopy. This application note demonstrates the benefits of the Agilent Cary 3500 UV-Vis spectrophotometer and Agilent Cary UV Workstation v1.6 for determining the total concentration of naphthalene hydrocarbons in three Jet A-1 fuel samples.
Experimental
Instrumentation
Once the solvent control and sample cells had been prepared, the absorbance was measured using an Agilent Cary 3500 Multicell UV-Vis (Figure 1), using the parameters listed in Table 1. The Multicell module enables a user to measure up to seven samples and a reference simultaneously. In this experiment, the three fuel samples were measured altogether, and absorbance spectra were collected on one graph. The absorbance measurements of the samples were then compared to the spectroscopic isooctane (solvent control) at 285 nm.
Results and discussion
Qualitative and quantitative analysis of samples
The Cary UV Workstation v1.6 includes functional tools that help users produce and analyze results within a single program, simplifying the analysis. Both the operating parameters and calculation methods were set up using a new batch within the Scan application program. Users can choose to collect absorbance over a wavelength range or at a specified wavelength or wavelengths. In this study, the 240 to 350 nm wavelength region was scanned so that the shape of the absorbance spectrum could be analyzed.
To evaluate the concentration of total naphthalene present within the jet fuel samples, three calculations were input into the "end of sequence analysis" feature, as shown in Figure 2. Analysis 1 was used to calculate the volume percentage (volume %) of naphthalenes in the samples, using mass percentage (mass %), and relative density values of the naphthalenes (1) and fuel (0.8).5
Analysis 2 was used to calculate the mass percentage (mass %) of naphthalenes in the jet fuel samples using the absorbance value at 285 nm (A), mass of respective sample in grams (W), and two constants, 0.10 (K) and the average absorptivity of the C10 to C13 naphthalenes at 285 nm, 33.7 L/g·cm.3 Weight was added into the sequence analysis setup, using the customizable parameters feature, which allows the user to tailor the variable and unit to their choice (Figure 2).
Analysis 3 was used to find the absorbance (Abs) at 285 nm, using the "value at (285)" equation.
Conclusion
The Agilent Cary 3500 Multicell UV-Vis spectrophotometer and Agilent Cary UV Workstation v1.6 software enabled an efficient and straightforward analysis of the total concentration of naphthalene hydrocarbons in jet turbine fuels. The reliability of the Cary 3500 was demonstrated through its precise and repeatable absorbance measurements. Retrieving saved methods and using automated in-sequence calculations in the software streamlined data collection and analysis, eliminating the need for manual input, offline calculations, or external software. Also, the integrated reporting functionality within the software ensured efficient result consolidation and facilitated easy information review. The Cary 3500 Multicell UV-Vis with Cary UV Workstation v1.6 provides a fast, reliable, robust, and user-friendly methodology for fuel quality assessment.
2. LECO: Determination of Carbon and Nitrogen in Coal and Coke
- Application note
- Full PDF for download
Carbon and Nitrogen determination is part of the ultimate analysis of coal and coke fuel material, aiding in characterizing the material and providing information that can be utilized in calculating material/energy balances and efficiencies, as well as emission potentials for the coal and coke fuel. The Carbon and Nitrogen results for a coal material are also utilized to evaluate the reactivity potential for its use in a liquefaction or gasification process.
Instrument Model and Configuration
The LECO CN928 is a macro combustion Carbon and Nitrogen determinator that utilizes a pure Oxygen environment in a high-temperature horizontal ceramic combustion furnace, utilizing ceramic boats designed to handle macro sample masses. A thermoelectric cooler removes moisture from the combustion gases before they are collected in a ballast. The gases equilibrate and mix in the ballast before a representative aliquot (3 cm3 or 10 cm3 volume) of the gas is extracted and introduced into a flowing stream of inert carrier gas (Helium or Argon) for analysis. The aliquot of gas is carried through a heated reduction tube, filled with Copper, to convert Nitrogen Oxide combustion gas species (NOx) to Nitrogen (N2). The aliquot of gas is then carried to a non-dispersive infrared (NDIR) cell for the detection of Carbon (as CO2) and a thermal conductivity cell (TC) for the detection of Nitrogen (N2).
Thermal conductivity detectors work by detecting changes in the thermal conductivity of the analyte gas compared to a reference/carrier gas. The greater the difference between the thermal conductivity of the carrier gas and the analyte gas, the greater the sensitivity of the detector. The CN928 supports either the use of Helium or Argon as the instrument's carrier gas. When used as a carrier gas, Helium provides the highest sensitivity, and the best performance at the lower limit of the Nitrogen range. The thermal conductivity difference between Argon and Nitrogen is not as great as the thermal conductivity difference between Helium and Nitrogen, therefore the detector is inherently less sensitive when using Argon as a carrier gas.
The LECO CN928 offers the additional advantage of 3 3 utilizing either a 10 cm3 aliquot loop or a 3 cm3 aliquot loop within the instrument's gas collection and handling system. The 10 cm3 aliquot loop optimizes the system for the lowest 3 Nitrogen range and provides the best precision. The 3 cm3 aliquot loop extends reagent life expectancy by approximately three-fold when compared to the 10 cm3 aliquot loop, while providing the lowest cost-per-analysis with minimal impact on practical application performance.
TYPICAL RESULTS
Data was generated in compliance with ASTM D5373, utilizing a linear, full regression calibration for Carbon determination and a linear, force through origin calibration for Nitrogen determination, using fractional masses (0.17 g to 0.30 g) of LECO 502-642 (Lot 1020) LCRM Phenylalanine (65.45% C, 8.46% N). The calibrations were verified using LECO 502-896 (Lot 1007) LCRM EDTA (41.14% C, 9.59% N). Coal and coke samples were analyzed as received and corrected for moisture in accordance with ASTM D5373. Samples were weighed and analyzed at ~0.20 grams.
3. Shimadzu: FTIR Analysis of Kidney Stone Using IRSpirit-TX
- Application note
- Full PDF for download
User Benefits
- FTIR analysis of kidney stones can be easily performed with minimal sample preparation using QATR -S.
- Quick identification of kidney stone composition is possible with LabSolutionsTM IR software by searching the measured
spectrum against the IR Kidney Stones Library
In the field of nephrology, FTIR analysis of kidney stones is a critical tool for studying nephrolithiasis etiology. The primary purpose of this analysis is to accurately identify the chemical composition of kidney stones, which can vary significantly among individuals. Thisinformation may provide insightsinto underlying metabolic disorders or dietary factors.
By employing FTIR spectroscopy, researchers can obtain detailed spectral data that enablesthe precise classification ofstones,such as calcium oxalate, uric acid, struvite, or cystine [1]. This information can be beneficial for understanding the characteristics of kidney stones, potentially informing future research directions. Furthermore, FTIR analysis requires only a small volume of sample, allowing analysts to reserve more samples for other analytical techniques such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, thermogravimetry and differential scanning calorimetry.
This Application News describes the simple workflow of kidney stone sample preparation and measurement by attenuated total reflection (ATR) method, followed by composition identification through a library search with the IR Kidney Stones Library.
Analysis Conditions
The pulverized sample was measured using IRSpirit-TX and QATR-S accessory (Fig. 1) with a zinc selenide (ZnSe) prism. A spatula of the powdered sample was pressed on the prism and measured under the analysis conditions specified in Table 1.
Compositional Analysis of Kidney Stone
ATR correction was performed on the acquired sample spectrum for better matching since the IR Kidney Stones Library is based on transmission spectra. Based on the search results as shown in Fig. 3, the sample spectrum closely resembles a mixture of carbonate apatite and struvite.
Conclusion
In this application news, the ATR technique using IRSpirit-TX is presented as a quick and easy solution for kidney stone characterization. This method provides valuable information that can enhance the understanding of the various factors associated with nephrolithiasis, potentially informing future research and studies in this area.
4. Thermo Fisher Scientific: Reaching sub-ppm limits of detection for carbon, nitrogen and oxygen with the Element GD Plus GD-MS
- Technical note
- Full PDF for download
Manufacturers of semiconductor materials and high purity metals use a number of different analytical techniques to assess the purity of the materials that they produce. Glow discharge mass spectrometry (GD-MS) is a popular tool for analyzing a wide range of metallic and non-metallic impurities. However, the quantification of gas phase elements like trace carbon, nitrogen and oxygen within materials has traditionally been accomplished through combustion techniques, requiring a second analytical instrument.
The fast flow source of the Thermo Scientific™ Element™ GD Plus GD Mass Spectrometer is well suited for analyzing gas phase elements like C, N and O. This is because the high discharge gas flow can rapidly remove water, carbon dioxide, nitrogen and oxygen which could be adsorbed on surfaces. However, achieving low detection limits for carbon, nitrogen and oxygen requires a sufficiently clean argon discharge gas.
In this technical note, we introduce the CNO option for the Element GD Plus GD-MS. The CNO option cleans the argon discharge gas through purification units adsorbing moisture, carbon dioxide and nitrogen traces from the argon gas supplied. This allows sub-ppm limits of detection to be achieved for carbon, nitrogen and oxygen.
What is the CNO option?
The CNO option of the Element GD Plus GD-MS provides the tools to analyze ppm and sub-ppm levels of atmospheric gas elements in samples. The fast-flow source of the Element GD Plus GD-MS is uniquely suited for the analysis of gas phase elements. The high discharge gas flow removes atmospheric contaminants, mainly H2O and CO2 , and N2 and O2 that have been adsorbed onto the surfaces. The CNO option cleans the incoming discharge gas, allowing low levels of detection for carbon, nitrogen and oxygen.
The CNO option offers an alternative gas line for the discharge argon gas (Figure 1). Argon gas is led to the source through a moisture trap and a gas purifier before entering the instrument via a mechanical valve. This is used when low carbon, nitrogen and oxygen backgrounds are required. The CNO option consists of four key components (Figure 1, blue line):
- Moisture trap: which acts as a pre-filter for C (CO2) and O (H2O)
- Heated gas purifier: which traps C, N and O
- Mechanically adjustable valve: high purity valve to regulate the flow of purified argon
- High purity, high quality steel capillaries: avoiding any polymer sealings and keeping the number of connections to a minimum
Conclusion
We have demonstrated how the CNO option for the Element GD Plus GD-MS increases its versatility, allowing trace amounts of carbon, nitrogen and oxygen to be quantified simultaneously with a wide range of metallic and non-metallic impurities. The low LoDs for carbon (0.05 ppm), nitrogen (0.12 ppm) and oxygen (0.5 ppm) enable a wide range of samples to be screened for impurities. Coupled with the fast analysis times and sample loading times, the CNO option makes the Element GD Plus GD-MS the instrument of choice for trace elemental analysis of semiconductor materials and high purity metals.
