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The number of people suffering from type 2 diabetes has rapidly increased. Taking into account, that elevated intracellular lipid concentrations, as well as their metabolism, are correlated with diminished insulin sensitivity, in this study we would like to show lipids spectroscopy markers of diabetes. For this purpose, serum collected from rats (animal model of diabetes) was analyzed using Fourier Transformed Infrared-Attenuated Total Reflection (FTIR-ATR) spectroscopy. Analyzed spectra showed that rats with diabetes presented higher concentration of phospholipids and cholesterol in comparison with non-diabetic rats. Moreover, the analysis of second (II nd ) derivative spectra showed no structural changes in lipids. Machine learning methods showed higher accuracy for II nd derivative spectra (from 65 % to 89 %) than for absorbance FTIR spectra (53-65 %). Moreover, it was possible to identify significant wavelength intervals from II nd derivative spectra using random forest-based feature selection algorithm, which further increased the accuracy of the classification (up to 92 % for phospholipid region). Moreover decision tree based on the selected features showed, that peaks at 1016 cm -1 and 2936 cm -1 can be good candidates of lipids marker of diabetes., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier B.V.)

Atherosclerotic carotid stenosis (ACS) is a recognized risk factor for ischemic stroke. Currently, the gold diagnostic standard is Doppler ultrasound, the results of which do not provide certainty whether a given person should be qualified for surgery or not, because in some patients, carotid artery stenosis, for example at the level of 70 %, does not cause ischemic stroke in others yes. Therefore, there is a need for new methods that will clearly indicate the marker qualifying the patient for surgery. In this article we used Fourier Transform InfraRed Attenuated Total Reflectance (FTIR-ATR) spectra of serum collected from healthy and patients suffering from ACS, which had surgery were analyzed by machine learning and Principal Component Analysis (PCA) to determine chemical differences and spectroscopy marker of ACS. PCA demonstrated clearly differentiation between serum collected from healthy and non-healthy patients. Obtained results showed that in serum collected from ACS patients, higher absorbances of PO 2- stretching symmetric, CH 2 and CH 3 symmetric and asymmetric and amide I vibrations were noticed than in control group. Moreover, lack of peak at 1106 cm -1 was observed in spectrum of serum from non-control group. As a result of spectral shifts analysis was found that the most important role in distinguishing between healthy and unhealthy patients is played by FTIR ranges caused by vibrations of PO 2- phospholipids, amides III, II and CO lipid vibrations. Continuing, peaks at 1636 cm -1 and 2963 cm -1 were proposed as a potential spectroscopy markers of ACS. Finally, accuracy of obtained results higher than 90 % suggested, that FTIR-ATR can be used as an additional diagnostic tool in ACS qualifying for surgery., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Prostate cancer represents the second most prevalent form of cancer in males globally. In the diagnosis of prostate cancer, the most commonly utilised biomarker is prostate-specific antigen (PSA). It is unfortunate that approximately 25 % of men with elevated PSA levels do not have cancer, and that approximately 20 % of patients with prostate cancer have normal serum PSA levels. Accordingly, a more sensitive methodology must still be identified. It is imperative that new diagnostic methods should be non-invasive, cost-effective, rapid, and highly sensitive. Fourier transform infrared spectroscopy (FTIR) is a technique that fulfils all of the aforementioned criteria. Consequently, the present study used FTIR to assess dried serum samples obtained from a cohort of prostate cancer patients (n = 53) and a control group of healthy individuals (n = 40). Furthermore, this study proposes FTIR markers of prostate cancer obtained from serum. For this purpose, FTIR spectra of dried serum were measured and analysed using statistical, chemometric and machine learning (ML) algorithms including decision trees C5.0, Random Forest (RF), k-Nearest Neighbours (kNN) and Support Vector Machine (SVM). The FTIR spectra of serum collected from patients suffering from prostate cancer exhibited a reduced absorbance values of peaks derived from phospholipids, amides, and lipids. However, these differences were not statistically significant. Furthermore, principal component analysis (PCA) demonstrated that it is challenging to distinguish serum samples from healthy and non-healthy patients. The ML algorithms demonstrated that FTIR was capable of differentiating serum collected from both analysed groups of patients with high accuracy (values between 0.74 and 0.93 for the range from 800 cm -1 to 1800 cm -1 and around 0.70 and 1 for the range from 2800 cm -1 to 3000 cm -1 ), depending on the ML algorithms used. The results demonstrated that the peaks at 1637 cm -1 and 2851 cm -1 could serve as a FTIR marker for prostate cancer in serum samples. Furthermore, the correlation test indicated a clear correlation between these two wavenumbers and four of the five clinical parameters associated with prostate cancer. However, the relatively small number of samples collected only from patients over the age of 60 indicated that the results should be further investigated using a larger number of serum samples collected from a mean age range. In conclusion, this study demonstrated the potential of FTIR for the detection of prostate cancer in serum samples, highlighting the presence of distinctive spectroscopic markers associated with the analysed cancer type., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Atherosclerosis carotid stenosis (ACS) is one of the main causes of stroke. Unfortunately, the highest number of people go to the doctor with an advanced disease or as a result of a stroke, because carotid atherosclerosis does not cause obvious symptoms. Therefore, it is important to find a diagnostic method to detect the disease during routine tests (using blood or serum). Consequently, in this article, Raman spectroscopy was tested as a potential diagnostic method. Indeed, Raman spectra of serum collected from ACS and control patients showed decrease of Raman peak around 1520 cm -1 and increase of peak around 3050 cm -1 in people with ACS. Moreover in people with ACS shift of peaks originating from amides II, I and lipids vibrations were noticed in comparison with control group. Interestingly, decision tree algorithm showed that peaks at 1656 cm -1 and 2957 cm -1 could be a spectroscopy markers of atherosclerotic carotid stenosis. Continuing, Principal Component Analysis (PCA) clearly showed distinguishing between serum collected from ACS and control patients, while machine learning algorithms showed high value of accuracy, sensitivity and selectivity (more than 90 %). Finally, value of area under the curve of Receiver Operating Characteristic (AUC-ROC) showed value of 0.81 for Raman range between 800 cm -1 and 1800 cm -1 and 0.86 for 2800 cm -1 -3000 cm -1 range. Obtained results clearly showed possibility of Raman spectroscopy in detection of ACS from serum., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Brain tumors are one of the most dangerous, because the position of these are in the organ that governs all life processes. Moreover, a lot of brain tumor types were observed, but only one main diagnostic method was used - histopathology, for which preparation of sample was long. Consequently, a new, quicker diagnostic method is needed. In this paper, FT-Raman spectra of brain tissues were analyzed by Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), four different machine learning (ML) algorithms to show possibility of differentiating between glioblastoma G4 and meningiomas, as well as two different types of meningiomas (atypical and angiomatous). Obtained results showed that in meningiomas additional peak around 1503 cm -1 and higher level of amides was noticed in comparison with glioblastoma G4. In the case of meningiomas differentiation, in angiomatous meningiomas tissues lower level of lipids and polysaccharides were visible than in atypical meningiomas. Moreover, PCA analyses showed higher distinction between glioblastoma G4 and meningiomas in the FT-Raman range between 800 cm -1 and 1800 cm -1 and between two types of meningiomas in the range between 2700 cm -1 and 3000 cm -1 . Decision trees showed, that the most important peaks to differentiate glioblastoma and meningiomas were at 1151 cm -1 and 2836 cm -1 while for angiomatous and atypical meningiomas - 1514 cm -1 and 2875 cm -1 . Furthermore, the accuracy of obtained results for glioblastoma G4 and meningiomas was 88 %, while for meningiomas - 92 %. Consequently, obtained data showed possibility of using FT-Raman spectroscopy in diagnosis of different types of brain tumors., (Copyright © 2024. Published by Elsevier Inc.)

Background: Glioblastoma is among the most malignant brain cancer with an average survival rate measured in months. In neurosurgical practice, it is considered impossible to completely remove a glioblastoma because of difficulties in the intraoperative assessment of the boundaries between healthy brain tissue and glioblastoma cells. Therefore, it is important to find a new, quick, cost-effective and useful neurosurgical practice method for the intraoperative differentiation of glioblastoma from healthy brain tissue., Methods: Herein, the features of absorbance at specific wavenumbers considered characteristic of glioblastoma tissues could be markers of this cancer. We used Fourier transform infrared spectroscopy to measure the spectra of tissues collected from control and patients suffering from glioblastoma., Results: The spectrum obtained from glioblastoma tissues demonstrated an additional peak at 1612 cm -1 and a shift of peaks at 1675 cm -1 and 1637 cm -1 . Deconvolution of amide I vibrations showed that in the glioblastoma tissue, the percentage amount of β-sheet is around 20% higher than that in the control. Moreover, the principal component analysis showed that using fingerprint and amide I regions it is possible to distinguish cancer and non-cancer samples. Machine learning methods presented that the accuracy of the results is around 100%. Finally, analysis of the differences in the rate of change of Fourier transform infrared spectroscopy spectra showed that absorbance features between 1053 cm -1 and 1056 cm -1 as well as between 1564 cm -1 and 1588 cm -1 are characteristic of glioblastoma., Conclusion: Calculated features of absorbance at specific wavenumbers could be used as a spectroscopic marker of glioblastoma which may be useful in the future for neuronavigation., Competing Interests: Declaration of Competing Interest The authors declare no competing financial interests., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Colorectal cancer is the second most common cause of cancer-related deaths worldwide. To follow up on the progression of the disease, tumor markers are commonly used. Here, we report serum analysis based on Raman spectroscopy to provide a rapid cancer diagnosis with tumor markers and two new cell adhesion molecules measured using the ELİSA method. Raman spectra showed higher Raman intensities at 1447 cm -1 1560 cm -1 , 1665 cm -1, and 1769 cm -1 , which originated from CH 2 proteins and lipids, amide II and amide I, and CO lipids vibrations. Furthermore, the correlation test showed, that only the CEA colon cancer marker correlated with the Raman spectra. Importantly, machine learning methods showed, that the accuracy of the Raman method in the detection of colon cancer was around 95 %. Obtained results suggest, that Raman shifts at 1302 cm -1 and 1306 cm -1 can be used as spectroscopy markers of colon cancer., Competing Interests: Declaration of competing interest The authors have no disclosures., (Copyright © 2023. Published by Elsevier Inc.)

Herein, we examined the modulatory effects ofApocynum (APO) on Monosodium Glutamate (MSG)-induced oxidative damage on the brain tissue of rats after long-term consumption of blood serum components by biochemical assays, Fourier transform infrared spectroscopy(FTIR), and machine learning methods. Sprague-Dawley male rats were randomly divided into the Control, Control + APO, MSG, and MSG + APO groups (n = 8 per group). All administrations were made by oral gavage saline, MSG, or APO and they were repeated for 28 days of the experiments. Brain tissue and blood serum samples were collected and analyzed for measurement levels ofmalondialdehyde (MDA),glutathione (GSH),myeloperoxidase (MPO), superoxide dismutase (SOD) activity, and Spectroscopic analysis. After 29 days, the results were evaluated using machine learning (ML). The levels of MDA and MPO showed changes in the MSG and MSG + APO groups, respectively. Changes in the proteins and lipids were observed in the FTIR spectra of the MSG groups. Additionally, APO in these animals improved the FTIR spectra to be similar to those in the Control group. The accuracy of the FTIR results calculated by ML was 100%. The findings of this study demonstrate that Apocynin treatment protectsagainst MSG-induced oxidative damage by inhibitingreactive oxygen speciesand upregulatingantioxidant capacity, indicating its potential in alleviatingthe toxic effects of MSG., (Copyright © 2022 Elsevier B.V. All rights reserved.)

The formation of the uterus lining, i.e. the endometrium, outside the uterus (ex. in the abdominal cavity,ovaries,or anywhere in the body) is called endometriosis. The presence of endometrial tissue present in the ovaries, thickens after menstruation, leading to menstrual-like bleeding and to the formation of chocolate cyst (Endometrioma) because of the accumulation of old, brown blood in the ovary. It is still unknown, what triggers the development ofendometrioma. However,it leads to excessive bleeding during menstrual periods or abnormal bleeding between periods and infertility. Endometriosis is often first diagnosed in those who seek medical attention for infertility. Therefore, new markers of endometrioma as well as new methods of its diagnosis are sought. In this study we used Raman spectra of serum collected from 50 healthy women and 50 women suffering from endometriosis. The obtained Raman data were used in multivariateanalysis to determine the Raman range, which can be used for endometriomadiagnostics. Partial Least Square (PLS), Principal Component Analysis (PCA) and Hierarchical Component Analysis (HCA) showed, that it is possible to distinguish between the serum collected from healthy and un-healthy women using the Raman range between 800 cm -1 and 1800 cm -1 and between 2956 cm -1 and 2840 cm -1 , while the first range corresponds to the fingerprint region and the second one to lipids vibrations. Consequently, the Pearson correlation test showeda significantpositive correlation betweenvaluesoflipidintensity in Raman spectra and volume of endometriomas. Summarizing, Raman spectroscopy can be a helpful tool in endometrioma diagnosis and the lipid vibrations are candidates for being a spectroscopic marker of the disease being studied., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

By in vitro fertilization, oocytes can be removed and the embryo can be cultured, and then trans cervically replaced when they reach cleavage or at the blastocyst stage. The characterization of the follicular fluid is important for the treatment process. Women who applied to the Academic Hospital in vitro fertilization (IVF) Center diagnosed with idiopathic female infertility (IFI) were sought in the patient group. Demographics and clinical gonadotropin measurements of the study population were recorded. Of the 116 follicular fluid samples (n=58 male-induced infertility; n=58 control) were analyzed using the FTIR system. To identify FTIR spectral characteristics of follicular fluids associated with an ovarian reserve and reproductive hormone levels from control and IFI, six machine learning methods and multivariate analysis were used. To assess the quantitative information about the total biochemical composition of a follicular fluid across various diagnoses. FTIR spectra showed a higher level of vibrations corresponding to lipids and a lower level of amide vibrations in the IFI group. Furthermore, the T square plot from Partial Last Square (PLS) analysis showed, that these vibrations can be used to distinguish IFI from the control group which was obtained by principal component analysis (PCA). Proteins and lipids play an important role in the development of IFI. The absorption dynamics of FTIR spectra showed wavenumbers with around 100% discrimination probability, which means, that the presented wavenumbers can be used as a spectroscopic marker of IFI. Also, six machine learning methods showed, that classification accuracy for the original set was from 93.75% to 100% depending on the learning algorithm used. These results can inform about IFI women's follicular fluid has biomacromolecular differentiation in their follicular fluid. By using a safe and effective tool for the characterization of changes in follicular fluid during in vitro fertilization, this study builds upon a comprehensive examination of the idiopathic female infertility remodeling process in human studies. We anticipate that this technology will be a valuable adjunct for clinical studies., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Polycystic ovarian syndrome (PCOS) is a disease, which causes infertility in women. The factors for the development of the disease are still not well understood and diagnostic methods need to be improved. Therefore, in this study, Raman spectroscopy as a potential diagnostic tool, was investigated and spectra of blood serum were collected from PCOS and healthy women. The obtained spectra showed distinct changes in intensities as well as shift of peaks for the blood serum collected from PCOS compared to healthy individuals. Partial Last Square (PLS) analysis and Principal Component Analysis (PCA) allowed to determine that Raman shifts of amides (1500 - 1700 cm -1 ) and CH 2 , CH 3 lipid groups (2700 - 3000 cm -1 ), could be thus used as potential PCOS markers. Furthermore, the Pearson correlation test showed a strong correlation between hormones (lutropin (LH), prolactin (PRL), follicle-stimulating (FSH), dehydroepiandrosterone (DHEAS), thyroid-stimulating (TSH), Estradiol) and lipids, as well as between hormones and protein functional groups in PCOS women, compared to the control. These results show, that the lipid and protein balance could be potentially applied as a helpful PCOS marker in Raman spectra., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

The study presented here considers the analysis of a medical dataset for the identification of the stage of onset of COVID-19 coronavirus. These data, presented in previous work by the authors, have been subjected to extensive analysis and additional calculations. The data were obtained by analyzing blood samples of infected individuals at 1, 3, and 6 months after COVID-19 infection. Results were obtained from FTIR spectrometry experiments. The results indicate a very effective ability to identify the different states of infection, and between 1 and 6 months even perfect. Specific spectrometry wavelength ranges can also be distinguished as medical markers., (© 2022 The Author(s). Published by Elsevier B.V.)