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Analysis of dog meat adulteration in beef meatballs using non-targeted UHPLC-Orbitrap HRMS metabolomics and chemometrics for halal authentication study

Windarsih A, Bakar NKA, Rohman A, Erwanto Y

Anal Sci, 2024 Mar;40(3):385-397.
PMID: 38095741 DOI: 10.1007/s44211-023-00470-x

Due to the different price and high quality, halal meat such as beef can be adulterated with non-halal meat with low price to get an economical price. The objective of this research was to develop an analytical method for halal authentication testing of beef meatballs (BM) from dog meat (DM) using a non-targeted metabolomics approach employing liquid chromatography-high-resolution mass spectrometry (LC-HRMS) and chemometrics. The differentiation of authentic BM from that adulterated with DM was successfully performed using partial least square-discriminant analysis (PLS-DA) with high accuracy (R2X = 0.980, and R2Y = 0.980) and good predictivity (Q2 = 0.517). In addition, partial least square (PLS) and orthogonal PLS (OPLS) were successfully used to predict the DM added (% w/w) in BM with high accuracy (R2 > 0.990). A number of metabolites, potential for biomarker candidates, were identified to differentiate BM and that adulterated with DM. It showed that the combination of a non-targeted LC-HRMS Orbitrap metabolomics and chemometrics could detect up to 0.1% w/w of DM adulteration. The developed method was successfully applied for analysis of commercial meatball samples (n = 28). Moreover, pathway analysis revealed that beta-alanine, histidine, and ether lipid metabolism were significantly affected by dog meat adulteration. In summary, this developed method has great potential to be developed and used as an alternative method for analysis of non-halal meats in halal meat products.

Matched MeSH terms: Discriminant Analysis
Discrimination of Dioscorea species (Chinese yam) using FT-IR integrated with chemometric approach

Jingying C, Baocai L, Ying C, Wujun Z, Yunqing Z, Yingzhen H, et al.

Spectrochim Acta A Mol Biomol Spectrosc, 2023 Dec 15;303:123229.
PMID: 37625275 DOI: 10.1016/j.saa.2023.123229

Dioscorea oppositifolia is an important crop and functional food. D. oppositifolia tuber is often adulterated with D. persimilis, D. alata, and D. fordii tuber in the commercial market. This study proposed an integrated Fourier transform infrared spectroscopy (FT-IR) with chemometric approach to differentiate these four Dioscorea species. A total of 107 Dioscorea spp. tuber samples were collected from different locations in China. Principal Component Analysis (PCA), PCA-Class, and Orthogonal Partial Least Square Discriminant Analysis (OPLS-DA) were utilised to classify the FT-IR spectra. In this PCA is unable to differentiate the Dioscorea spp. tuber effectively. However, PCA-Class and OPLS-DA can distinguish spp. these 4 species Dioscorea tuber with high accuracy, sensitivity, and specificity. Additionally, the RMSEE, RMSEP and RMSECV values for OPLS-DA model were low, showing that it is a good model. The combination of FT-IR with the PCA-Class and OPLS-DA is practical in discriminating Dioscorea spp. tubers.

Matched MeSH terms: Discriminant Analysis
Sex estimation of Malaysian sub-adults using craniometrics: A computed tomography study

Syed Mohd Hamdan SN, Rahmat RA, Abdul Razak F, Abd Kadir KA, Mohd Faizal Abdullah ER, Ibrahim N

Leg Med (Tokyo), 2023 Sep;64:102275.
PMID: 37229938 DOI: 10.1016/j.legalmed.2023.102275

Sex estimation is crucial in biological profiling of skeletal human remains. Methods used for sex estimation in adults are less effective for sub-adults due to varied cranium patterns during the growth period. Hence, this study aimed to develop a sex estimation model for Malaysian sub-adults using craniometric measurements obtained through multi-slice computed tomography (MSCT). A total of 521 cranial MSCT dataset of sub-adult Malaysians (279 males, 242 females; 0-20 years old) were collected. Mimics software version 21.0 (Materialise, Leuven, Belgium) was used to construct three-dimensional (3D) models. A plane-to-plane (PTP) protocol was utilised to measure 14 selected craniometric parameters. Discriminant function analysis (DFA) and binary logistic regression (BLR) were used to statistically analyze the data. In this study, low level of sexual dimorphism was observed in cranium below 6 years old. The level was then increased with age. For sample validation data, the accuracy of DFA and BLR in estimating sex improved with age from 61.6% to 90.3%. All age groups except 0-2 and 3-6 showed high accuracy percentage (≥75%) when tested using DFA and BLR. DFA and BLR can be utilised to estimate sex for Malaysian sub-adult using MSCT craniometric measurements. However, BLR showed higher accuracy than DFA in sex estimation of sub-adults.

Matched MeSH terms: Discriminant Analysis
The effects of high-fat diet and metformin on urinary metabolites in diabetes and prediabetes rat models

Lee YF, Sim XY, Teh YH, Ismail MN, Greimel P, Murugaiyah V, et al.

Biotechnol Appl Biochem, 2021 Oct;68(5):1014-1026.
PMID: 32931602 DOI: 10.1002/bab.2021

High-fat diet (HFD) interferes with the dietary plan of patients with type 2 diabetes mellitus (T2DM). However, many diabetes patients consume food with higher fat content for a better taste bud experience. In this study, we examined the effect of HFD on rats at the early onset of diabetes and prediabetes by supplementing their feed with palm olein oil to provide a fat content representing 39% of total calorie intake. Urinary profile generated from liquid chromatography-mass spectrometry analysis was used to construct the orthogonal partial least squares discriminant analysis (OPLS-DA) score plots. The data provide insights into the physiological state of an organism. Healthy rats fed with normal chow (NC) and HFD cannot be distinguished by their urinary metabolite profiles, whereas diabetic and prediabetic rats showed a clear separation in OPLS-DA profile between the two diets, indicating a change in their physiological state. Metformin treatment altered the metabolomics profiles of diabetic rats and lowered their blood sugar levels. For prediabetic rats, metformin treatment on both NC- and HFD-fed rats not only reduced their blood sugar levels to normal but also altered the urinary metabolite profile to be more like healthy rats. The use of metformin is therefore beneficial at the prediabetes stage.

Matched MeSH terms: Discriminant Analysis
Discrimination of Malaysian stingless bee honey from different entomological origins based on physicochemical properties and volatile compound profiles using chemometrics and machine learning

Sharin SN, Sani MSA, Jaafar MA, Yuswan MH, Kassim NK, Manaf YN, et al.

Food Chem, 2021 Jun 01;346:128654.
PMID: 33461823 DOI: 10.1016/j.foodchem.2020.128654

Identification of honey origin based on specific chemical markers is important for honey authentication. This study is aimed to differentiate Malaysian stingless bee honey from different entomological origins (Heterotrigona bakeri, Geniotrigona thoracica and Tetrigona binghami) based on physicochemical properties (pH, moisture content, ash, total soluble solid and electrical conductivity) and volatile compound profiles. The discrimination pattern of 75 honey samples was observed using Principal Component Analysis (PCA), Hierarchical Clustering Analysis (HCA), Partial Least Square-Discriminant Analysis (PLS-DA), and Support Vector Machine (SVM). The profiles of H. bakeri and G. thoracica honey were close to each other, but clearly separated from T. binghami honey, consistent with their phylogenetic relationship. T. binghami honey is marked by significantly higher electrical conductivity, moisture and ash content, and high abundance of 2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde and ethyl 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl carbonate. Copaene was proposed as chemical marker for G. thoracica honey. The potential of different parameters that aid in honey authentication was highlighted.

Matched MeSH terms: Discriminant Analysis
Fulltext Metabolite profiling of endophytic Streptomyces spp. and its antiplasmodial potential

Ahmad SJ, Mohamad Zin N, Mazlan NW, Baharum SN, Baba MS, Lau YL

PeerJ, 2021;9:e10816.
PMID: 33777509 DOI: 10.7717/peerj.10816

Background: Antiplasmodial drug discovery is significant especially from natural sources such as plant bacteria. This research aimed to determine antiplasmodial metabolites of Streptomyces spp. against Plasmodium falciparum 3D7 by using a metabolomics approach.
Methods: Streptomyces strains' growth curves, namely SUK 12 and SUK 48, were measured and P. falciparum 3D7 IC50 values were calculated. Metabolomics analysis was conducted on both strains' mid-exponential and stationary phase extracts.
Results: The most successful antiplasmodial activity of SUK 12 and SUK 48 extracts shown to be at the stationary phase with IC50 values of 0.8168 ng/mL and 0.1963 ng/mL, respectively. In contrast, the IC50 value of chloroquine diphosphate (CQ) for antiplasmodial activity was 0.2812 ng/mL. The univariate analysis revealed that 854 metabolites and 14, 44 and three metabolites showed significant differences in terms of strain, fermentation phase, and their interactions. Orthogonal partial least square-discriminant analysis and S-loading plot putatively identified pavettine, aurantioclavine, and 4-butyldiphenylmethane as significant outliers from the stationary phase of SUK 48. For potential isolation, metabolomics approach may be used as a preliminary approach to rapidly track and identify the presence of antimalarial metabolites before any isolation and purification can be done.

Matched MeSH terms: Discriminant Analysis
Fulltext The classification of movement intention through machine learning models: the identification of significant time-domain EMG features

Mohd Khairuddin I, Sidek SN, P P Abdul Majeed A, Mohd Razman MA, Ahmad Puzi A, Md Yusof H

PeerJ Comput Sci, 2021;7:e379.
PMID: 33817026 DOI: 10.7717/peerj-cs.379

Electromyography (EMG) signal is one of the extensively utilised biological signals for predicting human motor intention, which is an essential element in human-robot collaboration platforms. Studies on motion intention prediction from EMG signals have often been concentrated on either classification and regression models of muscle activity. In this study, we leverage the information from the EMG signals, to detect the subject's intentions in generating motion commands for a robot-assisted upper limb rehabilitation platform. The EMG signals are recorded from ten healthy subjects' biceps muscle, and the movements of the upper limb evaluated are voluntary elbow flexion and extension along the sagittal plane. The signals are filtered through a fifth-order Butterworth filter. A number of features were extracted from the filtered signals namely waveform length (WL), mean absolute value (MAV), root mean square (RMS), standard deviation (SD), minimum (MIN) and maximum (MAX). Several different classifiers viz. Linear Discriminant Analysis (LDA), Logistic Regression (LR), Decision Tree (DT), Support Vector Machine (SVM) and k-Nearest Neighbour (k-NN) were investigated on its efficacy to accurately classify the pre-intention and intention classes based on the significant features identified (MIN and MAX) via Extremely Randomised Tree feature selection technique. It was observed from the present investigation that the DT classifier yielded an excellent classification with a classification accuracy of 100%, 99% and 99% on training, testing and validation dataset, respectively based on the identified features. The findings of the present investigation are non-trivial towards facilitating the rehabilitation phase of patients based on their actual capability and hence, would eventually yield a more active participation from them.

Matched MeSH terms: Discriminant Analysis
Fulltext The classification of motor imagery response: an accuracy enhancement through the ensemble of random subspace k-NN

Rashid M, Bari BS, Hasan MJ, Razman MAM, Musa RM, Ab Nasir AF, et al.

PeerJ Comput Sci, 2021;7:e374.
PMID: 33817022 DOI: 10.7717/peerj-cs.374

Brain-computer interface (BCI) is a viable alternative communication strategy for patients of neurological disorders as it facilitates the translation of human intent into device commands. The performance of BCIs primarily depends on the efficacy of the feature extraction and feature selection techniques, as well as the classification algorithms employed. More often than not, high dimensional feature set contains redundant features that may degrade a given classifier's performance. In the present investigation, an ensemble learning-based classification algorithm, namely random subspace k-nearest neighbour (k-NN) has been proposed to classify the motor imagery (MI) data. The common spatial pattern (CSP) has been applied to extract the features from the MI response, and the effectiveness of random forest (RF)-based feature selection algorithm has also been investigated. In order to evaluate the efficacy of the proposed method, an experimental study has been implemented using four publicly available MI dataset (BCI Competition III dataset 1 (data-1), dataset IIIA (data-2), dataset IVA (data-3) and BCI Competition IV dataset II (data-4)). It was shown that the ensemble-based random subspace k-NN approach achieved the superior classification accuracy (CA) of 99.21%, 93.19%, 93.57% and 90.32% for data-1, data-2, data-3 and data-4, respectively against other models evaluated, namely linear discriminant analysis, support vector machine, random forest, Naïve Bayes and the conventional k-NN. In comparison with other classification approaches reported in the recent studies, the proposed method enhanced the accuracy by 2.09% for data-1, 1.29% for data-2, 4.95% for data-3 and 5.71% for data-4, respectively. Moreover, it is worth highlighting that the RF feature selection technique employed in the present study was able to significantly reduce the feature dimension without compromising the overall CA. The outcome from the present study implies that the proposed method may significantly enhance the accuracy of MI data classification.

Matched MeSH terms: Discriminant Analysis
Fulltext Changes in the urinary metabolites in losartan-treated spontaneously hypertensive rats

Norasikin Ab Azis, Mohd Saleh Ahmad Kamal, Zurain Radjeni, Ahmed Mediani, Renu Agarwal

Journal of Clinical and Health Sciences, 2021;6(1):32-45.
MyJurnal

Introduction: This study examined the association of losartan induced changes in urinary
metabolomic profile with the changes in blood pressure (BP) and renin-angiotensinaldosterone system (RAAS) in spontaneously hypertensive rats (SHR). Methods: Male SHR
were administered with either 0.5 mL of distilled water (control group, n=6) or 10 mg.kg-1 of
losartan (group 2, n=6) daily by oral gavage for 4 weeks. Body weight, BP, food and water
intake were measured weekly. At week 4, urine was collected for urinary electrolyte analysis
and metabolite profiling, after which the animals were euthanised by decapitation and blood
was collected for analysis of components of RAAS and electrolyte concentrations. Urine
metabolite profile of SHR was determined using proton nuclear magnetic resonance (
1H-NMR)
spectrometry combined with multivariate data analysis. Results: At week 4, losartan-treated
SHR had significantly lower BP than non-treated SHR. There were no differences in water
and food intake, body weight, serum and urinary electrolyte concentrations or in their urinary
excretions between the two groups. No differences were evident in the components of RAAS
except that the angiotensinogen level was significantly higher in losartan-treated SHR
compared to non-treated SHR. Orthogonal partial least squares discriminant analysis (OPLSDA) showed clear separation of urinary metabolites between control and losartan-treated
SHR. Losartan-treated SHR group was separated from the control group by changes in the
intermediates involved in glycine, serine and threonine metabolism. Conclusion:
Antihypertensive effect of losartan in SHR seems to be associated with changes in urinary
metabolite profile, particularly involving the metabolism of glycine, serine and threonine.

Matched MeSH terms: Discriminant Analysis
Fulltext Organic cultivation practices enhanced antioxidant activities and secondary metabolites in giant granadilla (Passiflora quadrangularis L.)

Ramaiya SD, Lee HH, Xiao YJ, Shahbani NS, Zakaria MH, Bujang JS

PLoS One, 2021;16(7):e0255059.
PMID: 34310644 DOI: 10.1371/journal.pone.0255059

Passiflora quadrangularis L. belongs to the family Passifloraceae which bears larger fruit with edible juicy mesocarp and pulp known as a good source of phytochemicals. Cultivation and plant management practices are known to influence the phytochemical compositions of agricultural produce. This study aimed to examine the influence of the cultivation practices on the antioxidant activities and secondary metabolites of the organically and conventionally grown P. quadrangularis. Findings revealed organically treated P. quadrangularis plants showed enhancement in their antioxidant properties and secondary metabolites profiles. Among the plant parts, leaves of P. quadrangularis grown organically possessed higher antioxidant activities compared to the conventional in all assays evaluated. The antioxidant activities in the edible parts of the P. quadrangularis fruit have also been enhanced through organic cultivation with significantly higher total phenolic content and DPPH in mesocarp, and the pulp showed higher total flavonoid content, DPPH and FRAP. This observation is supported by a higher level of vitamins and secondary metabolites in the samples. The secondary metabolites profile showed mesocarps were phenolic rich, the pulps were flavonoids rich while leaves showed good composition of phenolics, flavonoids and terpenoids with outstanding antioxidant activities. The common secondary metabolites for organically produced P. quadrangularis in different plant parts include 2-isopropyl-3-methoxycinnamic acid (mesocarp and pulp), myricetin isomers (pulp and leaves), and malvidin-3-O-arabinoside isomers (pulp and leaves). This study confirmed that organic cultivated P. quadrangularis possessed higher antioxidant activities contributed by its vitamins and secondary metabolites.

Matched MeSH terms: Discriminant Analysis
Fulltext Fischer Linear Discrimination and Quadratic Discrimination Analysis-Based Data Mining Technique for Internet of Things Framework for Healthcare

Hasan MK, Ghazal TM, Alkhalifah A, Abu Bakar KA, Omidvar A, Nafi NS, et al.

Front Public Health, 2021;9:737149.
PMID: 34712639 DOI: 10.3389/fpubh.2021.737149

The internet of reality or augmented reality has been considered a breakthrough and an outstanding critical mutation with an emphasis on data mining leading to dismantling of some of its assumptions among several of its stakeholders. In this work, we study the pillars of these technologies connected to web usage as the Internet of things (IoT) system's healthcare infrastructure. We used several data mining techniques to evaluate the online advertisement data set, which can be categorized as high dimensional with 1,553 attributes, and the imbalanced data set, which automatically simulates an IoT discrimination problem. The proposed methodology applies Fischer linear discrimination analysis (FLDA) and quadratic discrimination analysis (QDA) within random projection (RP) filters to compare our runtime and accuracy with support vector machine (SVM), K-nearest neighbor (KNN), and Multilayer perceptron (MLP) in IoT-based systems. Finally, the impact on number of projections was practically experimented, and the sensitivity of both FLDA and QDA with regard to precision and runtime was found to be challenging. The modeling results show not only improved accuracy, but also runtime improvements. When compared with SVM, KNN, and MLP in QDA and FLDA, runtime shortens by 20 times in our chosen data set simulated for a healthcare framework. The RP filtering in the preprocessing stage of the attribute selection, fulfilling the model's runtime, is a standpoint in the IoT industry. Index Terms: Data Mining, Random Projection, Fischer Linear Discriminant Analysis, Online Advertisement Dataset, Quadratic Discriminant Analysis, Feature Selection, Internet of Things.

Matched MeSH terms: Discriminant Analysis
Fulltext Correlation-based common spatial pattern (CCSP): A novel extension of CSP for classification of motor imagery signal

Darvish Ghanbar K, Yousefi Rezaii T, Farzamnia A, Saad I

PLoS One, 2021;16(3):e0248511.
PMID: 33788862 DOI: 10.1371/journal.pone.0248511

Common spatial pattern (CSP) is shown to be an effective pre-processing algorithm in order to discriminate different classes of motor-based EEG signals by obtaining suitable spatial filters. The performance of these filters can be improved by regularized CSP, in which available prior information is added in terms of regularization terms into the objective function of conventional CSP. Variety of prior information can be used in this way. In this paper, we used time correlation between different classes of EEG signal as the prior information, which is clarified similarity between different classes of signal for regularizing CSP. Furthermore, the proposed objective function can be easily extended to more than two-class problems. We used three different standard datasets to evaluate the performance of the proposed method. Correlation-based CSP (CCSP) outperformed original CSP as well as the existing regularized CSP, Principle Component Cnalysis (PCA) and Fisher Discriminate Analysis (FDA) in both two-class and multi-class scenarios. The simulation results showed that the proposed method outperformed conventional CSP by 6.9% in 2-class and 2.23% in multi-class problem in term of mean classification accuracy.

Matched MeSH terms: Discriminant Analysis
Fulltext Metabolic Profile of Scytalidium parasiticum-Ganoderma boninense Co-Cultures Revealed the Alkaloids, Flavonoids and Fatty Acids that Contribute to Anti-Ganoderma Activity

Ahmad R, Lim CK, Marzuki NF, Goh YK, Azizan KA, Goh YK, et al.

Molecules, 2020 Dec 16;25(24).
PMID: 33339375 DOI: 10.3390/molecules25245965

In solving the issue of basal stem rot diseases caused by Ganoderma, an investigation of Scytalidium parasiticum as a biological control agent that suppresses Ganoderma infection has gained our interest, as it is more environmentally friendly. Recently, the fungal co-cultivation has emerged as a promising method to discover novel antimicrobial metabolites. In this study, an established technique of co-culturing Scytalidium parasiticum and Ganoderma boninense was applied to produce and induce metabolites that have antifungal activity against G. boninense. The crude extract from the co-culture media was applied to a High Performance Liquid Chromatography (HPLC) preparative column to isolate the bioactive compounds, which were tested against G. boninense. The fractions that showed inhibition against G. boninense were sent for a Liquid Chromatography-Time of Flight-Mass Spectrometry (LC-TOF-MS) analysis to further identify the compounds that were responsible for the microbicidal activity. Interestingly, we found that eudistomin I, naringenin 7-O-beta-D-glucoside and penipanoid A, which were present in different abundances in all the active fractions, except in the control, could be the antimicrobial metabolites. In addition, the abundance of fatty acids, such as oleic acid and stearamide in the active fraction, also enhanced the antimicrobial activity. This comprehensive metabolomics study could be used as the basis for isolating biocontrol compounds to be applied in oil palm fields to combat a Ganoderma infection.

Matched MeSH terms: Discriminant Analysis
Fulltext Salivary bacterial shifts in oral leukoplakia resemble the dysbiotic oral cancer bacteriome

Gopinath D, Kunnath Menon R, Chun Wie C, Banerjee M, Panda S, Mandal D, et al.

J Oral Microbiol, 2020 Dec 09;13(1):1857998.
PMID: 33391629 DOI: 10.1080/20002297.2020.1857998

Objective: While some oral carcinomas appear to arise de novo, others develop within long-standing conditions of the oral cavity that have malignant potential, now known as oral potentially malignant disorders (OPMDs). The oral bacteriome associated with OPMD has been studied to a lesser extent than that associated with oral cancer. To characterize the association in detail we compared the bacteriome in whole mouth fluid (WMF) in patients with oral leukoplakia, oral cancer and healthy controls. Methods: WMF bacteriome from 20 leukoplakia patients, 31 patients with oral cancer and 23 healthy controls were profiled using the Illumina MiSeq platform. Sequencing reads were processed using DADA2, and taxonomical classification was performed using the phylogenetic placement method. Sparse Partial Least Squares Regression Discriminant Analysis model was used to identify bacterial taxa that best discriminate the studied groups. Results: We found considerable overlap between the WMF bacteriome of leukoplakia and oral cancer while a clearer separation between healthy controls and the former two disorders was observed. Specifically, the separation was attributed to 14 taxa belonging to the genera Megaspheara, unclassified enterobacteria, Prevotella, Porphyromonas, Rothia and Salmonella, Streptococcus, and Fusobacterium. The most discriminative bacterial genera between leukoplakia and oral cancer were Megasphaera, unclassified Enterobacteriae, Salmonella and Prevotella.Conclusion: Oral bacteria may play a role in the early stages of oral carcinogenesis as a dysbiotic bacteriome is associated with oral leukoplakia and this resembles that of oral cancer more than healthy controls. Our findings may have implications for developing oral cancer prevention strategies targeting early microbial drivers of oral carcinogenesis.

Matched MeSH terms: Discriminant Analysis
The Heritability of Palatal Rugae Morphology Among Siblings*, †

Chong JA, Syed Mohamed AMF, Marizan Nor M, Pau A

J Forensic Sci, 2020 Nov;65(6):2000-2007.
PMID: 32692413 DOI: 10.1111/1556-4029.14507

Although there is clinical applicability of the palatal rugae as an identification tool in forensic odontology, controversy exists whether the palatal rugae patterns are stable or variable. The greater the genetic component, the higher the probability that palatal rugae patterns are stable. The aim of this study was to compare the palatal rugae morphology between full siblings and the proportion of variability due to genetic component. This cross-sectional study was conducted on digital models of 162 siblings aged 15-30 years old. The palatal rugae patterns were assessed with Thomas and Kotze (1983) classification using Geomagic Studio software (3D Systems, Rock Hill, SC). The palatal rugae morphology between siblings showed significantly similar characteristics for total number of left rugae (p = 0.001), left primary rugae (p = 0.017), secondary rugae for right (p = 0.024) and left sides (p = 0.001), right straight rugae (p = 0.010), and right convergent rugae (p = 0.005) accounting for at least 6.25%-12.8% of the variability due to heredity. Despite the similarities found, the palatal rugae patterns showed significant differences between siblings of at least 46.9% (p = 0.001). Zero heritability was found in 9 of the 14 rugae patterns. Meanwhile, total number of rugae, primary, backward, and convergent rugae showed moderate heritability (h2 > 0.3) and total number of secondary rugae showed high heritability (h2 > 0.6). In conclusion, despite the individuality characteristics, an appreciable hereditary component is observed with significant similarities found between sibling pairs and the palatal rugae patterns were both environmentally and genetically influenced.

Matched MeSH terms: Discriminant Analysis
Fulltext Complex Chemical Data Classification and Discrimination Using Locality Preserving Partial Least Squares Discriminant Analysis

Aminu M, Ahmad NA

ACS Omega, 2020 Oct 20;5(41):26601-26610.
PMID: 33110988 DOI: 10.1021/acsomega.0c03362

Partial least squares discriminant analysis (PLS-DA) is a well-known technique for feature extraction and discriminant analysis in chemometrics. Despite its popularity, it has been observed that PLS-DA does not automatically lead to extraction of relevant features. Feature learning and extraction depends on how well the discriminant subspace is captured. In this paper, discriminant subspace learning of chemical data is discussed from the perspective of PLS-DA and a recent extension of PLS-DA, which is known as the locality preserving partial least squares discriminant analysis (LPPLS-DA). The objective is twofold: (a) to introduce the LPPLS-DA algorithm to the chemometrics community and (b) to demonstrate the superior discrimination capabilities of LPPLS-DA and how it can be a powerful alternative to PLS-DA. Four chemical data sets are used: three spectroscopic data sets and one that contains compositional data. Comparative performances are measured based on discrimination and classification of these data sets. To compare the classification performances, the data samples are projected onto the PLS-DA and LPPLS-DA subspaces, and classification of the projected samples into one of the different groups (classes) is done using the nearest-neighbor classifier. We also compare the two techniques in data visualization (discrimination) task. The ability of LPPLS-DA to group samples from the same class while at the same time maximizing the between-class separation is clearly shown in our results. In comparison with PLS-DA, separation of data in the projected LPPLS-DA subspace is more well defined.

Matched MeSH terms: Discriminant Analysis
Fulltext Urine Untargeted Metabolomic Profiling Is Associated with the Dietary Pattern of Successful Aging among Malaysian Elderly

Nik Mohd Fakhruddin NNI, Shahar S, Ismail IS, Ahmad Azam A, Rajab NF

Nutrients, 2020 Sep 23;12(10).
PMID: 32977370 DOI: 10.3390/nu12102900

Food intake biomarkers (FIBs) can reflect the intake of specific foods or dietary patterns (DP). DP for successful aging (SA) has been widely studied. However, the relationship between SA and DP characterized by FIBs still needs further exploration as the candidate markers are scarce. Thus, 1H-nuclear magnetic resonance (1H-NMR)-based urine metabolomics profiling was conducted to identify potential metabolites which can act as specific markers representing DP for SA. Urine sample of nine subjects from each three aging groups, SA, usual aging (UA), and mild cognitive impairment (MCI), were analyzed using the 1H-NMR metabolomic approach. Principal components analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) were applied. The association between SA urinary metabolites and its DP was assessed using the Pearson's correlation analysis. The urine of SA subjects was characterized by the greater excretion of citrate, taurine, hypotaurine, serotonin, and melatonin as compared to UA and MCI. These urinary metabolites were associated with alteration in "taurine and hypotaurine metabolism" and "tryptophan metabolism" in SA elderly. Urinary serotonin (r = 0.48, p < 0.05) and melatonin (r = 0.47, p < 0.05) were associated with oat intake. These findings demonstrate that a metabolomic approach may be useful for correlating DP with SA urinary metabolites and for further understanding of SA development.

Matched MeSH terms: Discriminant Analysis
Fulltext Differentiation of ripe and unripe fruit flour using mineral composition data-Statistical assessment

Alkarkhi AFM, Alqaraghuli WAA, Mohamed Zam NR, Manan DMA, Mahmud MN, Huda N

Data Brief, 2020 Jun;30:105414.
PMID: 32258278 DOI: 10.1016/j.dib.2020.105414

Data on the mineral composition and content of one heavy metal measured in three different fruit flours prepared from ripe and unripe fruits (pulp and peel) are presented. The mineral composition (sodium (Na), potassium (K), magnesium (Mg), calcium (Ca), zinc (Zn), copper (Cu), iron (Fe) and manganese (Mn)) and content of one heavy metal (lead (Pb)) of the flours were analyzed by atomic absorption spectrophotometry. The analysis showed that the data can be used for differentiation between different fruits and stages of ripeness, as revealed by discriminant analysis and cluster analysis. The data provided can be used by researchers and scientists in the differentiation of fruits based on major and minor mineral elements.

Matched MeSH terms: Discriminant Analysis
Tracing the geographical origin of rice by stable isotopic analyses combined with chemometrics

Wang J, Chen T, Zhang W, Zhao Y, Yang S, Chen A

Food Chem, 2020 May 30;313:126093.
PMID: 31927205 DOI: 10.1016/j.foodchem.2019.126093

Multivariate stable isotope analysis combined with chemometrics was used to investigate and discriminate rice samples from six rice producing provinces in China (Heilongjiang, Jilin, Jiangsu, Zhejiang, Hunan and Guizhou) and four other Asian rice producing countries (Thailand, Malaysia, Philippines, and Pakistan). The stable isotope characteristics were analyzed for rice of different species cultivated with varied farming methods at different altitudes and latitudes/longitudes. The index groups of δ13C, δ15N, δ18O, 207/206Pb and 208/207Pb were screened and established for the selected samples with different geographical features by means of principal component analysis (PCA) and discriminant analysis (DA), which would provide a sound technical solution for rice traceability and serve as a template for further research on the traceability of other agricultural products, especially plant-derived products.

Matched MeSH terms: Discriminant Analysis
Fulltext A novel investigation of the effect of iterations in sliding semi-landmarks for 3D human facial images

Nazri A, Agbolade O, Yaakob R, Ghani AA, Cheah YK

BMC Bioinformatics, 2020 May 24;21(1):208.
PMID: 32448182 DOI: 10.1186/s12859-020-3497-7

BACKGROUND: Landmark-based approaches of two- or three-dimensional coordinates are the most widely used in geometric morphometrics (GM). As human face hosts the organs that act as the central interface for identification, more landmarks are needed to characterize biological shape variation. Because the use of few anatomical landmarks may not be sufficient for variability of some biological patterns and form, sliding semi-landmarks are required to quantify complex shape.
RESULTS: This study investigates the effect of iterations in sliding semi-landmarks and their results on the predictive ability in GM analyses of soft-tissue in 3D human face. Principal Component Analysis (PCA) is used for feature selection and the gender are predicted using Linear Discriminant Analysis (LDA) to test the effect of each relaxation state. The results show that the classification accuracy is affected by the number of iterations but not in progressive pattern. Also, there is stability at 12 relaxation state with highest accuracy of 96.43% and an unchanging decline after the 12 relaxation state.
CONCLUSIONS: The results indicate that there is a particular number of iteration or cycle where the sliding becomes optimally relaxed. This means the higher the number of iterations is not necessarily the higher the accuracy.

Matched MeSH terms: Discriminant Analysis

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