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1064 nm Nd:YAG laser light affects transmembrane mitochondria respiratory chain complexes

Ravera S, Ferrando S, Agas D, De Angelis N, Raffetto M, Sabbieti MG, et al.

J Biophotonics, 2019 09;12(9):e201900101.
PMID: 31033186 DOI: 10.1002/jbio.201900101

Photobiomodulation (PBM) is a non-plant-cell manipulation through a transfer of energy by means of light sources at the non-ablative or thermal intensity. Authors showed that cytochrome-c-oxidase (complex IV) is the specific chromophore's target of PBM at the red (600-700 nm) and NIR (760-900 nm) wavelength regions. Recently, it was suggested that the infrared region of the spectrum could influence other chromospheres, despite the interaction by wavelengths higher than 900 nm with mitochondrial chromophores was not clearly demonstrated. We characterized the interaction between mitochondria respiratory chain, malate dehydrogenase, a key enzyme of Krebs cycle, and 3-hydroxyacyl-CoA dehydrogenase, an enzyme involved in the β-oxidation (two mitochondrial matrix enzymes) with the 1064 nm Nd:YAG (100mps and 10 Hz frequency mode) irradiated at the average power density of 0.50, 0.75, 1.00, 1.25 and 1.50 W/cm2 to generate the respective fluences of 30, 45, 60, 75 and 90 J/cm2 . Our results show the effect of laser light on the transmembrane mitochondrial complexes I, III, IV and V (adenosine triphosphate synthase) (window effects), but not on the extrinsic mitochondrial membrane complex II and mitochondria matrix enzymes. The effect is not due to macroscopical thermal change. An interaction of this wavelength with the Fe-S proteins and Cu-centers of respiratory complexes and with the water molecules could be supposed.

Matched MeSH terms: Spectroscopy, Near-Infrared
Use of UV-vis-NIR spectroscopy to monitor label-free interaction between molecular recognition elements and erythropoietin on a gold-coated polycarbonate platform

Citartan M, Gopinath SC, Tominaga J, Chen Y, Tang TH

Talanta, 2014 Aug;126:103-9.
PMID: 24881539 DOI: 10.1016/j.talanta.2014.03.043

Label-free-based detection is pivotal for real-time monitoring of biomolecular interactions and to eliminate the need for labeling with tags that can occupy important binding sites of biomolecules. One simplest form of label-free-based detection is ultraviolet-visible-near-infrared (UV-vis-NIR) spectroscopy, which measure changes in reflectivity as a means to monitor immobilization and interaction of biomolecules with their corresponding partners. In biosensor development, the platform used for the biomolecular interaction should be suitable for different molecular recognition elements. In this study, gold (Au)-coated polycarbonate was used as a platform and as a proof-of-concept, erythropoietin (EPO), a doping substance widely abused by the athletes was used as the target. The interaction of EPO with its corresponding molecular recognition elements (anti-EPO monoclonal antibody and anti-EPO DNA aptamer) is monitored by UV-vis-NIR spectroscopy. Prior to this, to show that UV-vis-NIR spectroscopy is a suitable method for measuring biomolecular interaction, the interaction between biotin and streptavidin was demonstrated via this strategy and reflectivity of this interaction decreased by 25%. Subsequent to this, interaction of the EPO with anti-EPO monoclonal antibody and anti-EPO DNA aptamer resulted in the decrease of reflectivity by 5% and 10%, respectively. The results indicated that Au-coated polycarbonate could be an ideal biosensor platform for monitoring biomolecular interactions using UV-vis-NIR spectroscopy. A smaller version of the Au-coated polycarbonate substrates can be derived from the recent set-up, to be applied towards detecting EPO abuse among atheletes.

Matched MeSH terms: Spectroscopy, Near-Infrared/methods*
Fulltext Neurodevelopmental effects of childhood malnutrition: A neuroimaging perspective

Galler JR, Bringas-Vega ML, Tang Q, Rabinowitz AG, Musa KI, Chai WJ, et al.

Neuroimage, 2021 05 01;231:117828.
PMID: 33549754 DOI: 10.1016/j.neuroimage.2021.117828

Approximately one in five children worldwide suffers from childhood malnutrition and its complications, including increased susceptibility to inflammation and infectious diseases. Due to improved early interventions, most of these children now survive early malnutrition, even in low-resource settings (LRS). However, many continue to exhibit neurodevelopmental deficits, including low IQ, poor school performance, and behavioral problems over their lifetimes. Most studies have relied on neuropsychological tests, school performance, and mental health and behavioral measures. Few studies, in contrast, have assessed brain structure and function, and to date, these have mainly relied on low-cost techniques, including electroencephalography (EEG) and evoked potentials (ERP). The use of more advanced methods of neuroimaging, including magnetic resonance imaging (MRI) and functional near-infrared spectroscopy (fNIRS), has been limited by cost factors and lack of availability of these technologies in developing countries, where malnutrition is nearly ubiquitous. This report summarizes the current state of knowledge and evidence gaps regarding childhood malnutrition and the study of its impact on neurodevelopment. It may help to inform the development of new strategies to improve the identification, classification, and treatment of neurodevelopmental disabilities in underserved populations at the highest risk for childhood malnutrition.

Matched MeSH terms: Spectroscopy, Near-Infrared
Functional brain imaging of walking while talking - An fNIRS study

Metzger FG, Ehlis AC, Haeussinger FB, Schneeweiss P, Hudak J, Fallgatter AJ, et al.

Neuroscience, 2017 02 20;343:85-93.
PMID: 27915210 DOI: 10.1016/j.neuroscience.2016.11.032

Since functional imaging of whole body movements is not feasible with functional magnetic resonance imaging (fMRI), the present study presents in vivo functional near-infrared spectroscopy (fNIRS) as a suitable technique to measure body movement effects on fronto-temporo-parietal cortical activation in single- and dual-task paradigms. Previous fNIRS applications in studies addressing whole body movements were typically limited to the assessment of prefrontal brain areas. The current study investigated brain activation in the frontal, temporal and parietal cortex of both hemispheres using functional near-infrared spectroscopy (fNIRS) with two large 4×4 probe-sets with 24 channels each during single and dual gait tasks. 12 young healthy adults were measured using fNIRS walking on a treadmill: the participants performed two single-task (ST) paradigms (walking at different speeds, i.e. 3 and 5km/h) and a dual task (DT) paradigm where a verbal fluency task (VFT) had to be executed while walking at 3km/h. The results show an increase of activation in Broca's area during the more advanced conditions (ST 5km/h vs. ST 3km/h, DT vs. ST 3km/h, DT vs. 5km/h), while the corresponding area on the right hemisphere was also activated. DT paradigms including a cognitive task in conjunction with whole body movements elicit wide-spread cortical activation patterns across fronto-temporo-parietal areas. An elaborate assessment of these activation patterns requires more extensive fNIRS assessments than the traditional prefrontal investigations, e.g. as performed with portable fNIRS devices.

Matched MeSH terms: Spectroscopy, Near-Infrared
Fulltext Validating a functional near-infrared spectroscopy diagnostic paradigm for Major Depressive Disorder

Husain SF, Yu R, Tang TB, Tam WW, Tran B, Quek TT, et al.

Sci Rep, 2020 06 16;10(1):9740.
PMID: 32546704 DOI: 10.1038/s41598-020-66784-2

Reduced haemodynamic response in the frontotemporal cortices of patients with major depressive disorder (MDD) has been demonstrated using functional near-infrared spectroscopy (fNIRS). Most notably, changes in cortical oxy-haemoglobin during a Japanese phonetic fluency task can differentiate psychiatric patients from healthy controls (HC). However, this paradigm has not been validated in the English language. Therefore, the present work aimed to distinguish patients with MDD from HCs, using haemodynamic response measured during an English letter fluency task. One hundred and five HCs and 105 patients with MDD took part in this study. NIRS signals during the verbal fluency task (VFT) was acquired using a 52-channel system, and changes in oxy-haemoglobin in the frontal and temporal regions were quantified. Depression severity, psychosocial functioning, pharmacotherapy and psychiatric history were noted. Patients with MDD had smaller changes in oxy-haemoglobin in the frontal and temporal cortices than HCs. In both regions of interest, oxy-haemoglobin was not associated with any of the clinical variables studied. 75.2% and 76.5% of patients with MDD were correctly classified using frontal and temporal region oxy-haemoglobin, respectively. Haemodynamic response measured by fNIRS during an English letter fluency task is a promising biomarker for MDD.

Matched MeSH terms: Spectroscopy, Near-Infrared/methods*
Fulltext Muscle oxygenation during hybrid arm and functional electrical stimulation-evoked leg cycling after spinal cord injury

Hasnan N, Mohamad Saadon NS, Hamzaid NA, Teoh MX, Ahmadi S, Davis GM

Medicine (Baltimore), 2018 Oct;97(43):e12922.
PMID: 30412097 DOI: 10.1097/MD.0000000000012922

This study compared muscle oxygenation (StO2) during arm cranking (ACE), functional electrical stimulation-evoked leg cycling (FES-LCE), and hybrid (ACE+FES-LCE) exercise in spinal cord injury individuals. Eight subjects with C7-T12 lesions performed exercises at 3 submaximal intensities. StO2 was measured during rest and exercise at 40%, 60%, and 80% of subjects' oxygen uptake (VO2) peak using near-infrared spectroscopy. StO2 of ACE showed a decrease whereas in ACE+FES-LCE, the arm muscles demonstrated increasing StO2 from rest in all of VO2) peak respectively. StO2 of FES-LCE displayed a decrease at 40% VO2 peak and steady increase for 60% and 80%, whereas ACE+FES-LCE revealed a steady increase from rest at all VO2 peak. ACE+FES-LCE elicited greater StO2 in both limbs which suggested that during this exercise, upper- and lower-limb muscles have higher blood flow and improved oxygenation compared to ACE or FES-LCE performed alone.

Matched MeSH terms: Spectroscopy, Near-Infrared/methods
The past, present, and prospective on UV-VIS-NIR skin photonics and spectroscopy-a wavelength guide

Poh AH, Adikan FRM, Moghavvemi M

Med Biol Eng Comput, 2020 Jun;58(6):1159-1175.
PMID: 32319030 DOI: 10.1007/s11517-019-02077-9

The study and applications of in vivo skin optics have been openly documented as early as the year 1954, or possibly earlier. To date, challenges in analyzing the complexities of this field remain, with wide scopes requiring more scrutiny. Recent advances in spectroscopic research and multivariate analytics allow a closer look into applications potentially for detecting or monitoring diseases. One of the challenges in this field is in establishing a reference for applications which correspond to certain bandwidths. This article reviews the scope on past research on skin spectroscopy, and the clinical aspects which have or may have applications on disease detection or enhancing diagnostics. A summary is supplied on the technicalities surrounding the measurements reported in literature, focused towards the wavelength-dependent applications in themes central to the respective research. Analytics on the topology of the papers' data cited in this work is also provided for a statistical perspective. In short, this paper strives to immediately inform the reader with possible applications via the spectroscopic devices at hand. Graphical Abstract .

Matched MeSH terms: Spectroscopy, Near-Infrared/methods
Fulltext Cortical haemodynamic response measured by functional near infrared spectroscopy during a verbal fluency task in patients with major depression and borderline personality disorder

Husain SF, Tang TB, Yu R, Tam WW, Tran B, Quek TT, et al.

EBioMedicine, 2020 Jan;51:102586.
PMID: 31877417 DOI: 10.1016/j.ebiom.2019.11.047

BACKGROUND: Functional near infrared spectroscopy (fNIRS) provides a direct and quantitative assessment of cortical haemodynamic function during a cognitive task. This functional neuroimaging modality may be used to elucidate the pathophysiology of psychiatric disorders, and identify neurophysiological differences between co-occurring psychiatric disorders. However, fNIRS research on borderline personality disorder (BPD) has been limited. Hence, this study aimed to compare cerebral haemodynamic function in healthy controls (HC), patients with major depressive disorder (MDD) and patients with BPD.
METHODS: fNIRS signals during a verbal fluency task designed for clinical assessment was recorded for all participants. Demographics, clinical history and symptom severity were also noted.
FINDINGS: Compared to HCs (n = 31), both patient groups (MDD, n = 31; BPD, n = 31) displayed diminished haemodynamic response in the frontal, temporal and parietal cortices. Moreover, haemodynamic response in the right frontal cortex is markedly lower in patients with MDD compared to patients with BPD.
INTERPRETATION: Normal cortical function in patients with BPD is disrupted, but not as extensively as in patients with MDD. These results provide further neurophysiological evidence for the distinction of patients with MDD from patients with BPD.

Matched MeSH terms: Spectroscopy, Near-Infrared*
Development of an optical biosensor for the detection of Trypanosoma evansi and Plasmodium berghei

Theint HT, Walsh JE, Wong ST, Voon K, Shitan M

Spectrochim Acta A Mol Biomol Spectrosc, 2019 Jul 05;218:348-358.
PMID: 31026712 DOI: 10.1016/j.saa.2019.04.008

A laboratory prototype system that correlates murine blood absorbance with degree of infection for Plasmodium berghei and Trypanosoma avensi has been designed, constructed and tested. A population (n = 6) of control uninfected, Plasmodium infected and Trypanosoma infected BALB/c mice were developed and spectral absorption measurements pre and post infection were made every 3 days. A fibre optic spectrometer set-up was used as the basis of a laboratory prototype biosensor that uses the Beer Lambert Law to relate Ultraviolet-Visible-Near-infrared absorbance data to changes in murine blood chemistry post infection. Spectral absorption results indicate a statistically relevant correlation at a 650 nm with infection for Plasmodium from between 4 and 7 sampling days' post infection, in spite of significant standard deviations among the sample populations for control and infected mice. No significant spectral absorption change for Trypanosoma infection was been detected from the current data. Corresponding stained slides of control and infected blood at each sampling date were taken with related infected cell counts determined and these correlate well for Plasmodium absorbance at 650 nm.

Matched MeSH terms: Spectroscopy, Near-Infrared/instrumentation
Near-infrared spectroscopy (NIRS) and chemometric analysis of Malaysian and UK paracetamol tablets: a spectral database study

Said MM, Gibbons S, Moffat AC, Zloh M

Int J Pharm, 2011 Aug 30;415(1-2):102-9.
PMID: 21645600 DOI: 10.1016/j.ijpharm.2011.05.057

The influx of medicines from different sources into healthcare systems of developing countries presents a challenge to monitor their origin and quality. The absence of a repository of reference samples or spectra prevents the analysis of tablets by direct comparison. A set of paracetamol tablets purchased in Malaysian pharmacies were compared to a similar set of sample purchased in the UK using near-infrared spectroscopy (NIRS). Additional samples of products containing ibuprofen or paracetamol in combination with other actives were added to the study as negative controls. NIR spectra of the samples were acquired and compared by using multivariate modeling and classification algorithms (PCA/SIMCA) and stored in a spectral database. All analysed paracetamol samples contained the purported active ingredient with only 1 out of 20 batches excluded from the 95% confidence interval, while the negative controls were clearly classified as outliers of the set. Although the substandard products were not detected in the purchased sample set, our results indicated variability in the quality of the Malaysian tablets. A database of spectra was created and search methods were evaluated for correct identification of tablets. The approach presented here can be further developed as a method for identifying substandard pharmaceutical products.

Matched MeSH terms: Spectroscopy, Near-Infrared/methods*
Biogas potential from forbs and grass-clover mixture with the application of near infrared spectroscopy

Wahid R, Ward AJ, Møller HB, Søegaard K, Eriksen J

Bioresour Technol, 2015 Dec;198:124-32.
PMID: 26386414 DOI: 10.1016/j.biortech.2015.08.154

This study investigated the potentials of forbs; caraway, chicory, red clover and ribwort plantain as substrates for biogas production. One-, two- and four-cut systems were implemented and the influence on dry matter yields, chemical compositions and methane yields were examined. The two- and four-cut systems resulted in higher dry matter yields (kg [total solid, TS] ha(-1)) compared to the one-cut system. The effect of plant compositions on biogas potentials was not evident. Cumulative methane yields (LCH4kg(-1) [volatile solid, VS]) were varied from 279 to 321 (chicory), 279 to 323 (caraway), 273 to 296 (ribwort plantain), 263 to 328 (red clover) and 320 to 352 (grass-clover mixture), respectively. Methane yield was modelled by modified Gompertz equation for comparison of methane production rate. Near infrared spectroscopy showed potential as a tool for biogas and chemical composition prediction. The best prediction models were obtained for methane yield at 29 days (99 samples), cellulose, acid detergent fibre, neutral detergent fibre and crude protein, (R(2)>0.9).

Matched MeSH terms: Spectroscopy, Near-Infrared
Fulltext Bimodal Data Fusion of Simultaneous Measurements of EEG and fNIRS during Lower Limb Movements

Al-Quraishi MS, Elamvazuthi I, Tang TB, Al-Qurishi M, Adil SH, Ebrahim M

Brain Sci, 2021 May 27;11(6).
PMID: 34071982 DOI: 10.3390/brainsci11060713

Electroencephalography (EEG) and functional near-infrared spectroscopy (fNIRS) have temporal and spatial characteristics that may complement each other and, therefore, pose an intriguing approach for brain-computer interaction (BCI). In this work, the relationship between the hemodynamic response and brain oscillation activity was investigated using the concurrent recording of fNIRS and EEG during ankle joint movements. Twenty subjects participated in this experiment. The EEG was recorded using 20 electrodes and hemodynamic responses were recorded using 32 optodes positioned over the motor cortex areas. The event-related desynchronization (ERD) feature was extracted from the EEG signal in the alpha band (8-11) Hz, and the concentration change of the oxy-hemoglobin (oxyHb) was evaluated from the hemodynamics response. During the motor execution of the ankle joint movements, a decrease in the alpha (8-11) Hz amplitude (desynchronization) was found to be correlated with an increase of the oxyHb (r = -0.64061, p < 0.00001) observed on the Cz electrode and the average of the fNIRS channels (ch28, ch25, ch32, ch35) close to the foot area representation. Then, the correlated channels in both modalities were used for ankle joint movement classification. The result demonstrates that the integrated modality based on the correlated channels provides a substantial enhancement in ankle joint classification accuracy of 93.01 ± 5.60% (p < 0.01) compared with single modality. These results highlight the potential of the bimodal fNIR-EEG approach for the development of future BCI for lower limb rehabilitation.

Matched MeSH terms: Spectroscopy, Near-Infrared
Ion-Imprinted Polymer for Selective Separation of Cerium(III) Ions from Rare Earth Mixture

Rahman ML, Puah PY, Sarjadi MS, Arshad SE, Musta B, Sarkar SM

J Nanosci Nanotechnol, 2019 09 01;19(9):5796-5802.
PMID: 30961741 DOI: 10.1166/jnn.2019.16538

Ion-imprinting polymers (IIPs) materials draw the great recognition because of the powerful selectivity to the desired metal ions. Therefore, the ion-imprinting polymer (Ce-IIP) was prepared by using cerium metal with amidoxime ligand as the complexing agent, in addition ethylene glycol dimethacrylate (EGDMA) and 2,2-azobisisobutyronitrile (AIBN) are crosslinking agent and free radical initiator, respectively. Aqueous HCl was applied to leach the cerium ions from the imprinted polymer for the creation of cavities of template, which is utilized for further cerium ions adsorption with high selectivity. The Ce-IIP was characterized by using ICP-MS, FE-SEM and also solid state analysis by UV-vis NIR spectroscopy. FT-IR study confirmed the complexation of the Ce-IIP was successful. The optimum pH was found to be 6 and the highest adsorption capacity was estimated about 145 mg g-1. Thus, the prepared Ce-IIP gave very good selectivity to cerium ions in the presence of lanthanide ions and also Ce-IIP can be reused 10 times without a substantial loss in adsorption capacity.

Matched MeSH terms: Spectroscopy, Near-Infrared
Deposition and characterization of SnSe and CuInSe2 thin films by thermal evaporation technique from synthesized SnSe and CuInSe2 sources

Nordin Sabli, Zainal Abidin Talib, Chang CB, Wan Mahmood Mat Yunus, Zulkarnain Zainal, Hikmat S. Hilal, et al.

Sains Malaysiana, 2014;43:1061-1067.

Tin selenide (SnSe) and copper indium diselenide (CuInSe2) compounds were synthesized by high temperature reaction method using combination of sealed ampoule (at relatively low pressure ~10-1 Pa without inert gas) and heating at specific temperature profile in rocking furnace. Powder X-Ray diffraction analysis showed that the products involved only single phases of SnSe and of CuInSe2 only. Using the reaction products as source materials, the SnSe and CuInSe2 thin films were vacuum-deposited on glass substrates at room temperature. Structural, elemental, surface morphological and optical properties of the as-deposited films were studied by X-Ray diffraction (XRD), energy dispersive X-Ray (EDX) analysis, field emission scanning electron microscopy (FESEM) and UV-Vis-NIR spectroscopy. Single phase of SnSe and CuInSe2 films were obtained by thermal evaporation technique from synthesized SnSe and CuInSe2 compound without further treatment.

Matched MeSH terms: Spectroscopy, Near-Infrared
Fulltext Visualizing hyperactivation in neurodegeneration based on prefrontal oxygenation: a comparative study of mild alzheimer's disease, mild cognitive impairment, and healthy controls

Yap KH, Ung WC, Ebenezer EGM, Nordin N, Chin PS, Sugathan S, et al.

Front Aging Neurosci, 2017;9:287.
PMID: 28919856 DOI: 10.3389/fnagi.2017.00287

Background: Cognitive performance is relatively well preserved during early cognitive impairment owing to compensatory mechanisms. Methods: We explored functional near-infrared spectroscopy (fNIRS) alongside a semantic verbal fluency task (SVFT) to investigate any compensation exhibited by the prefrontal cortex (PFC) in Mild Cognitive Impairment (MCI) and mild Alzheimer's disease (AD). In addition, a group of healthy controls (HC) was studied. A total of 61 volunteers (31 HC, 12 patients with MCI and 18 patients with mild AD) took part in the present study. Results: Although not statistically significant, MCI exhibited a greater mean activation of both the right and left PFC, followed by HC and mild AD. Analysis showed that in the left PFC, the time taken for HC to achieve the activation level was shorter than MCI and mild AD (p = 0.0047 and 0.0498, respectively); in the right PFC, mild AD took a longer time to achieve the activation level than HC and MCI (p = 0.0469 and 0.0335, respectively); in the right PFC, HC, and MCI demonstrated a steeper slope compared to mild AD (p = 0.0432 and 0. 0107, respectively). The results were, however, not significant when corrected by the Bonferroni-Holm method. There was also found to be a moderately positive correlation (R = 0.5886) between the oxygenation levels in the left PFC and a clinical measure [Mini-Mental State Examination (MMSE) score] in MCI subjects uniquely. Discussion: The hyperactivation in MCI coupled with a better SVFT performance may suggest neural compensation, although it is not known to what degree hyperactivation manifests as a potential indicator of compensatory mechanisms. However, hypoactivation plus a poorer SVFT performance in mild AD might indicate an inability to compensate due to the degree of structural impairment. Conclusion: Consistent with the scaffolding theory of aging and cognition, the task-elicited hyperactivation in MCI might reflect the presence of compensatory mechanisms and hypoactivation in mild AD could reflect an inability to compensate. Future studies will investigate the fNIRS parameters with a larger sample size, and their validity as prognostic biomarkers of neurodegeneration.

Matched MeSH terms: Spectroscopy, Near-Infrared
Fulltext NIR spectroscopic properties of aqueous acids solutions

Omar AF, Atan H, Matjafri MZ

Molecules, 2012 Jun 15;17(6):7440-50.
PMID: 22706373 DOI: 10.3390/molecules17067440

Acid content is one of the important quality attributes in determining the maturity index of agricultural product, particularly fruits. Despite the fact that much research on the measurement of acidity in fruits through non-destructive spectroscopy analysis at NIR wavelengths between 700 to 1,000 nm has been conducted, the same response towards individual acids is not well known. This paper presents NIR spectroscopy analysis on aqueous citric, tartaric, malic and oxalic solutions through quantitative analysis by selecting a set of wavelengths that can best be used to measure the pH of the solutions. The aquaphotomics study of the acid solutions has generated R² above 0.9 for the measurement of all acids. The most important wavelengths for pH are located at 918-925 nm and 990-996 nm, while at 975 nm for water.

Matched MeSH terms: Spectroscopy, Near-Infrared*
VIS-NIR spectral signature and quantitative analysis of HeLa and DU145 cell line

Ghani KA, Sudik S, Omar AF, Mail MH, Seeni A

Spectrochim Acta A Mol Biomol Spectrosc, 2019 Nov 05;222:117241.
PMID: 31216502 DOI: 10.1016/j.saa.2019.117241

Cancer is increasing in incidence and the leading cause of death worldwide. Controlling and reducing cancer requires early detection and technique to accurately detect and quantify predictive biomarkers. Optical spectroscopy has shown promising non-destructive ability to display distinctive spectral characteristics between cancerous and normal tissues from different part of human organ. Nonetheless, not many information is available on spectroscopic properties of cancer cell lines. In this research, the visible-near infrared (VIS-NIR) absorbance spectroscopy measurement of cultured cervical cancer (HeLa) and prostate cancer cells (DU145) lines has been performed to develop spectral signature of cancer cells and to generate algorithm to quantify cancer cells. Spectroscopic measurement on mouse skin fibroblast (L929) was also taken for comparative purposes. In visible region, the raw cells' spectra do not produce any noticeable peak absorbance that provides information on color because the medium used for cells is colorless and transparent. NIR wavelength between 950 and 975 nm exhibit significant peak due to water absorbance by the medium. Development of spectral signature for the cells through the application of regression technique significantly enhances the diverse characteristics between L929, HeLa and DU145. The application of multiple linear regression allows high measurement accuracy of the cells with coefficient of determination above 0.94.

Matched MeSH terms: Spectroscopy, Near-Infrared/methods*
Fulltext Robust Wavelength Selection Using Filter-Wrapper Method and Input Scaling on Near Infrared Spectral Data

Silalahi DD, Midi H, Arasan J, Mustafa MS, Caliman JP

Sensors (Basel), 2020 Sep 03;20(17).
PMID: 32899292 DOI: 10.3390/s20175001

The extraction of relevant wavelengths from a large dataset of Near Infrared Spectroscopy (NIRS) is a significant challenge in vibrational spectroscopy research. Nonetheless, this process allows the improvement in the chemical interpretability by emphasizing the chemical entities related to the chemical parameters of samples. With the complexity in the dataset, it may be possible that irrelevant wavelengths are still included in the multivariate calibration. This yields the computational process to become unnecessary complex and decreases the accuracy and robustness of the model. In multivariate analysis, Partial Least Square Regression (PLSR) is a method commonly used to build a predictive model from NIR spectral data. However, in the PLSR method and common commercial chemometrics software, there is no standard wavelength selection procedure applied to screen the irrelevant wavelengths. In this study, a new robust wavelength selection procedure called the modified VIP-MCUVE (mod-VIP-MCUVE) using Filter-Wrapper method and input scaling strategy is introduced. The proposed method combines the modified Variable Importance in Projection (VIP) and modified Monte Carlo Uninformative Variable Elimination (MCUVE) to calculate the scale matrix of the input variable. The modified VIP uses the orthogonal components of Partial Least Square (PLS) in investigating the informative variable in the model by applying the amount of variation both in X and y{SSX,SSY}, simultaneously. The modified MCUVE uses a robust reliability coefficient and a robust tolerance interval in the selection procedure. To evaluate the superiority of the proposed method, the classical VIP, MCUVE, and autoscaling procedure in classical PLSR were also included in the evaluation. Using artificial data with Monte Carlo simulation and NIR spectral data of oil palm (Elaeis guineensis Jacq.) fruit mesocarp, the study shows that the proposed method offers advantages to improve model interpretability, to be computationally extensive, and to produce better model accuracy.

Matched MeSH terms: Spectroscopy, Near-Infrared
Fulltext Monitoring of CO2 Absorption Solvent in Natural Gas Process Using Fourier Transform Near-Infrared Spectrometry

Yusop Nurida M, Norfadilah D, Siti Aishah MR, Zhe Phak C, Saleh SM

Int J Anal Chem, 2020;2020:9830685.
PMID: 32089691 DOI: 10.1155/2020/9830685

The analytical methods for the determination of the amine solvent properties do not provide input data for real-time process control and optimization and are labor-intensive, time-consuming, and impractical for studies of dynamic changes in a process. In this study, the potential of nondestructive determination of amine concentration, CO2 loading, and water content in CO2 absorption solvent in the gas processing unit was investigated through Fourier transform near-infrared (FT-NIR) spectroscopy that has the ability to readily carry out multicomponent analysis in association with multivariate analysis methods. The FT-NIR spectra for the solvent were captured and interpreted by using suitable spectra wavenumber regions through multivariate statistical techniques such as partial least square (PLS). The calibration model developed for amine determination had the highest coefficient of determination (R2) of 0.9955 and RMSECV of 0.75%. CO2 calibration model achieved R2 of 0.9902 with RMSECV of 0.25% whereas the water calibration model had R2 of 0.9915 with RMSECV of 1.02%. The statistical evaluation of the validation samples also confirmed that the difference between the actual value and the predicted value from the calibration model was not significantly different and acceptable. Therefore, the amine, CO2, and water models have given a satisfactory result for the concentration determination using the FT-NIR technique. The results of this study indicated that FT-NIR spectroscopy with chemometrics and multivariate technique can be used for the CO2 solvent monitoring to replace the time-consuming and labor-intensive conventional methods.

Matched MeSH terms: Spectroscopy, Near-Infrared
Classification and quantification of palm oil adulteration via portable NIR spectroscopy

Basri KN, Hussain MN, Bakar J, Sharif Z, Khir MFA, Zoolfakar AS

Spectrochim Acta A Mol Biomol Spectrosc, 2017 Feb 15;173:335-342.
PMID: 27685001 DOI: 10.1016/j.saa.2016.09.028

Short wave near infrared spectroscopy (NIR) method was used to detect the presence of lard adulteration in palm oil. MicroNIR was set up in two different scan modes to study the effect of path length to the performance of spectral measurement. Pure and adulterated palm oil sample were classified using soft independent modeling class analogy (SIMCA) algorithm with model accuracy more than 0.95 reported for both transflectance and transmission modes. Additionally, by employing partial least square (PLS) regression, the coefficient of determination (R2) of transflectance and transmission were 0.9987 and 0.9994 with root mean square error of calibration (RMSEC) of 0.5931 and 0.6703 respectively. In order to remove the uninformative variables, variable selection using cumulative adaptive reweighted sampling (CARS) has been performed. The result of R2 and RMSEC after variable selection for transflectance and transmission were improved significantly. Based on the result of classification and quantification analysis, the transmission mode has yield better prediction model compared to the transflectance mode to distinguish the pure and adulterated palm oil.

Matched MeSH terms: Spectroscopy, Near-Infrared/instrumentation; Spectroscopy, Near-Infrared/methods*

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