Dataset of NIR, MIR and FIR spectroscopy of fuels in maritime cases and biodiesel–diesel blends B7 and B10 from Malaysia

The dataset contains Fourier-transform infrared (FTIR) spectroscopic analysis of fuels in maritime cases and biodiesel–diesel blends B7 and B10 from Malaysia. Fuels in maritime cases were donated by Agensi Penguatkuasaan Maritim Malaysia (APMM) in March 2023. The crime-related oil samples originated from maritime crime scenes located within Terengganu and Johor, Malaysia. Meanwhile, B7(DE5) and B10(D0) samples were obtained from pump stations in 2021. They are fuels used in Malaysian transportation system. The FTIR analysis was acquired in the full regions of FTIR (6000–80 cm−1) which are near-infrared (NIR), mid-infrared (MIR), and far-infrared (FIR). The IR spectra were recorded using Bruker Invenio-R (Universiti Putra Malaysia) spectrometer equipped with attenuated total reflection (ATR) (2 mm) diamond with an accumulation of 64 scans at a spectral resolution of 4 cm−1. Spectral analysis was carried out by OPUS 8.7.41. The data highlights the potential of NIR, MIR, and FIR spectroscopy as a powerful tool for forensic analysis in maritime crime investigations. This includes the potential of utilizing the Hierarchical Clustering Analysis (HCA) to discriminate between type of fuels in forensic cases.


a b s t r a c t
The dataset contains Fourier-transform infrared (FTIR) spectroscopic analysis of fuels in maritime cases and biodieseldiesel blends B7 and B10 from Malaysia.Fuels in maritime cases were donated by Agensi Penguatkuasaan Maritim Malaysia (APMM) in March 2023.The crime-related oil samples originated from maritime crime scenes located within Terengganu and Johor, Malaysia.Meanwhile, B7(DE5) and B10(D0) samples were obtained from pump stations in 2021.They are fuels used in Malaysian transportation system.The FTIR analysis was acquired in the full regions of FTIR (60 0 0-80 cm −1 ) which are near-infrared (NIR), mid-infrared (MIR), and far-infrared (FIR).The IR spectra were recorded using Bruker Invenio-R (Universiti Putra Malaysia) spectrometer equipped with attenuated total reflection (ATR) (2 mm) diamond with an accumulation of 64 scans at a spectral resolution of 4 cm −1 .Spectral analysis was carried out by OPUS 8.7.41.The data highlights the potential of NIR, MIR, and FIR spectroscopy as a powerful tool for forensic analysis in maritime crime investigations.This includes the potential of utilizing the Hierarchical Clustering Analysis (HCA) to discriminate between type of fuels in forensic cases.

Value of the Data
• These analyses offered deep insights into the characteristics of the recent crime-related fuels in 2023.• These analyses provide deep insights into the characterization of the 30 samples of B7 and B10 fuel.• The data may be used for the characterization of the 15 crime-related samples in Johor and Terengganu, Malaysia.• The data may be used for the characterization of B7 and B10 fuel samples.
• Chemists in the forensic industry and research areas have the advantage of the easily accessing information.• The data may be used to identify either the fuel samples are originated from Malaysia or foreign country.• The data may be used to identify the type of crime-related fuel samples after clustering method of HCA.• Experimental data are useful for the validation of spectra with quantum and mechanical calculations.

Background
These datasets (15 samples) [ 1 ] originated from the crime-related smuggling of oil in Terengganu and Johor, Malaysia, as obtained from Agensi Penguatkuasaan Maritim Malaysia (APMM).Meanwhile, the datasets [ 2 ] cover 30 fuel samples of B7 and B10 obtained from two major cities in Malaysia and the sample collection was performed directly from the fuel pump nozzle.Authors will utilize these data to for multivariate analysis in different FTIR spectral region which are near-infrared, mid-infrared, and far-infrared spectroscopy.Additionally, the spectroscopic dataset contributes valuable information to the characterization of spectra within the near-infrared (NIR), mid-infrared (MIR), and far-infrared (FIR) spectroscopy regions.In future data analysis, chemometric techniques such as Hierarchical Clustering Analysis (HCA) with the utilization of effect of spectral range will be employed to differentiate between various fuel blends, specifically B7 and B10.Additionally, these techniques will be used to distinguish between fuel samples collected in Malaysia and forensic samples.Also, for the spectral library of fuels in Malaysia.

Data Description
Table 1 shows 15 samples of crime-related fuel donated by the Agensi Penguatkuasaan Maritim Malaysia (APMM).These samples were seized from criminal activities in Johor and Terengganu.In February 2023, APMM successfully retrieved oil from the several boats and lorry trucks in Johor and Terengganu.The lot numbers assigned by APMM have been modified to facilitate the researchers understanding and project requirements.
As shown in Table 2 , 10 samples of B7 (DE5) and 20 samples of B10 (D0) samples obtained from Mersing and Seri Kembangan, Malaysia.For each sample, the shipping point is included based on the last delivery order and they were supplied on the same month.The raw data files can be accessed at https://data.mendeley.com/datasets/kwm6bf95yt/1 .
As shown in Fig. 1 until Fig. 45 , the FT-IR spectra were acquired using a Bruker Invenio-R (Universiti Putra Malaysia) spectrometer equipped with an attenuated total reflection (ATR) (2 mm) diamond.The spectra acquisition involved 64 scans with a spectral resolution of 4 cm −1 and the spectra were processed using OPUS 8.7.41.The FT-IR spectra are also stored in

Experimental Design, Materials and Methods
At the beginning of the sampling process at the fuel pump station, cleaned and dried 1-l dark glass bottles were used, each labelled with a Lot Number for identification.To ensure the bottles were free of contaminants, the internal surfaces were rinsed with a small amount of the same fuel being sampled, and this initial wash was discarded.Subsequently, at least one liter of fuel was pumped directly from the fuel pump nozzle into the prepared bottles.To prevent sample adulteration from sunlight exposure, the storage bottles were wrapped in black plastic wrapping.The sealed samples were then transported to the UPM laboratory and stored at room temperature until they were ready for infrared (IR) analysis.The seals were only removed immediately prior to analysis to prevent any potential contamination.For this study, 30 biodiesel samples from Malaysia were analyzed.Upon receipt, the samples were assigned Lot Numbers by Agensi Penguatkuasaan Maritim Malaysia (APMM), which were subsequently modified to facilitate researcher understanding and to meet project requirements.Each sample was carefully documented and labelled according to the modified Lot Numbers.Proper precautions were maintained throughout the storage period to preserve the integrity of the samples.The dark glass bottles and black plastic wrapping provided protection from light, and the bottles remained sealed until the time of analysis ( Figs. 2 , 7 and 8 ).
For the forensic study, 15 samples of Illegal, Unreported, and Unregulated (IUU) fuel, seized by the (APMM) from criminal activities in Johor and Terengganu, Malaysia, were analyzed.These samples, obtained in March 2023, were retrieved by APMM in February 2023 from apprehended vessels.All collected samples were stored at room temperature in the UPM laboratory, with specific precautions taken to prevent contamination and degradation.The use of dark glass bottles and black plastic wrapping ensured minimal exposure to light, maintaining sample integrity.The sealed samples were only unsealed at the time of analysis.No sample pretreatment was applied to any samples before IR analysis.
As shown in Fig. 46 , the FT-IR spectra were acquired using a Bruker Invenio-R (Universiti Putra Malaysia) spectrometer equipped with attenuated total reflection (ATR) (2 mm) diamond.The  spectra acquisition involved 64 scans with a spectral resolution of 4 cm −1 and the spectra were processed using OPUS 8.7.41.With a temperature control unit, the temperature is maintained at room temperature ∼26 °C during the acquisition of the IR spectra.Before the IR spectra of the sample were acquired, acetone was wiped on the ATR to remove contaminants from the previous sample which evaporated to dryness.The background spectrum is collected, which will subtract any unwanted residual peaks from the sample spectrum and avoid the contaminants reading.Then, the samples spectra were recorded immediately on the ATR and analyzed by OPUS 8.7.41.The configurations and numerical values of the advanced parameters (such as resolution, sample scan time, background scan time, and spectral range) are saved [ 3 ].

the
Mendeley depository.The transmittance spectra (in percentage transmittance,%T) were acquired for each sample between 80 and 60 0 0 cm −1 covering near-infrared (NIR), mid-infrared (MIR), and far-infrared (FIR) spectra region.The crime-related fuel samples spectra from Johor are shown in Fig. 1 until Fig. 5 .Meanwhile, crime-related sample spectra from Terengganu are shown in Fig. 6 until Fig. 15 .The B7 sample spectra are shown in Fig. 16 until Fig. 25 .Meanwhile, B10 sample spectra are shown in Fig. 26 until Fig. 45 .

Fig. 47 .
Fig. 47.Configurations and numerical values of the advanced parameters (such as resolution, sample scan time, background scan time, and spectral range).
Fig. 47 shows the configurations and numerical values of the advanced parameters (such as resolution, sample scan time, background scan time, and spectral range).Additionally, the phase resolution is stored within the Fourier transform and the optical parameters are also displayed under these experimental conditions in and Figs.48 and 49 , respectively ( Figs. 1-45 ).

Fig. 48 .
Fig. 48.Configurations and numerical values of the advanced parameters of the phase resolution.

Fig. 49 .
Fig. 49.Configurations and numerical values of the optical parameters.

Table 1
List of 15 crime-related fuel samples donated by Agensi Penguatkuasaan Maritim Malaysia (APMM) in Johor and Terengganu, Malaysia that acquired from tank of boats and trucks.