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Comparison of partial least squares and random forests for evaluating relationship between phenolics and bioactivities of Neptunia oleracea

Lee SY, Mediani A, Maulidiani M, Khatib A, Ismail IS, Zawawi N, et al.

J Sci Food Agric, 2018 Jan;98(1):240-252.
PMID: 28580581 DOI: 10.1002/jsfa.8462

BACKGROUND: Neptunia oleracea is a plant consumed as a vegetable and which has been used as a folk remedy for several diseases. Herein, two regression models (partial least squares, PLS; and random forest, RF) in a metabolomics approach were compared and applied to the evaluation of the relationship between phenolics and bioactivities of N. oleracea. In addition, the effects of different extraction conditions on the phenolic constituents were assessed by pattern recognition analysis.
RESULTS: Comparison of the PLS and RF showed that RF exhibited poorer generalization and hence poorer predictive performance. Both the regression coefficient of PLS and the variable importance of RF revealed that quercetin and kaempferol derivatives, caffeic acid and vitexin-2-O-rhamnoside were significant towards the tested bioactivities. Furthermore, principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) results showed that sonication and absolute ethanol are the preferable extraction method and ethanol ratio, respectively, to produce N. oleracea extracts with high phenolic levels and therefore high DPPH scavenging and α-glucosidase inhibitory activities.
CONCLUSION: Both PLS and RF are useful regression models in metabolomics studies. This work provides insight into the performance of different multivariate data analysis tools and the effects of different extraction conditions on the extraction of desired phenolics from plants. © 2017 Society of Chemical Industry.
Effect of storage time on metabolite profile and alpha-glucosidase inhibitory activity of Cosmos caudatus leaves - GCMS based metabolomics approach

Javadi N, Abas F, Mediani A, Abd Hamid A, Khatib A, Simoh S, et al.

J Food Drug Anal, 2015 Sep;23(3):433-441.
PMID: 28911700 DOI: 10.1016/j.jfda.2015.01.005

Cosmos caudatus, which is a commonly consumed vegetable in Malaysia, is locally known as "Ulam Raja". It is a local Malaysian herb traditionally used as a food and medicinal herb to treat several maladies. Its bioactive or nutritional constituents consist of a wide range of metabolites, including glucosinolates, phenolics, amino acids, organic acids, and sugars. However, many of these metabolites are not stable and easily degraded or modified during storage. In order to investigate the metabolomics changes occurring during post-harvest storage, C. caudatus samples were subjected to seven different storage times (0 hours, 2 hours, 4 hours, 6 hours, 8 hours, 10 hours, and 12 hours) at room temperature. As the model experiment, the metabolites identified by gas chromatography-mass spectrometry (GC-MS) were correlated with α-glucosidase inhibitory activity analyzed with multivariate data analysis (MVDA) to find out the variation among samples and metabolites contributing to the activity. Orthogonal partial least squares (OPLS) analysis was applied to investigate the metabolomics changes. A profound chemical alteration, both in primary and secondary metabolites, was observed. The α-tocopherol, catechin, cyclohexen-1-carboxylic acid, benzoic acid, myo-inositol, stigmasterol, and lycopene compounds were found to be the discriminating metabolites at early storage; however, sugars such as sucrose, α-d-galactopyranose, and turanose were detected, which was attributed to the discriminating metabolites for late storage. The result shows that the MVDA method is a promising technique to identify biomarker compounds relative to storage at different times.
Fulltext Study of sexual dimorphism of Malaysian crania: an important step in identification of the skeletal remains

Ibrahim A, Alias A, Nor FM, Swarhib M, Abu Bakar SN, Das S

Anat Cell Biol, 2017 Jun;50(2):86-92.
PMID: 28713610 DOI: 10.5115/acb.2017.50.2.86

Sex determination is one of the main steps in the identification of human skeletal remains. It constitutes an initial step in personal identification from the skeletal remains. The aim of the present study was to provide the population-specific sex discriminating osteometric standards to aid human identification. The present study was conducted on 87 (174 sides) slices of crania using postmortem computed tomography in 45 males and 42 females, aged between 18 and 75 years. About 22 parameters of crania were measured using Osirix software 3-D Volume Rendering. Results showed that all parameters were significantly higher in males than in females except for orbital height of the left eye by independent t test (P<0.01). By discriminant analysis, the classification accuracy was 85.1%, and by regression, the classification accuracy ranged from 78.2% to 86.2%. In conclusion, cranium can be used to distinguish between males and females in the Malaysian population. The results of the present study can be used as a forensic tool for identification of unknown crania.
Fulltext Metabolite characterization of different palm date varieties and the correlation with their NO inhibitory activity, texture and sweetness

Abdul-Hamid NA, Mediani A, Maulidiani M, Shadid K, Ismail IS, Abas F, et al.

J Food Sci Technol, 2018 Apr;55(4):1541-1551.
PMID: 29606769 DOI: 10.1007/s13197-018-3073-6

The aim of this study was to examine the variation in metabolite constituents of five commercial varieties of date fruits; Ajwa, Safawi and Ambar which originated from Madinah, the Iranian Bam and Tunisian Deglet Noor. The differences of metabolome were investigated using proton nuclear magnetic resonance (1H NMR) spectroscopy combined with multivariate data analysis (MVDA). Principal Component Analysis (PCA) revealed clear separation between the date varieties. The Tunisian Deglet Noor demonstrated distinct cluster from the rest of the palm date samples based on the metabolite composition as shown by the pattern observed in Hierarchical Clustering Analysis (HCA) and PCA. Deglet Noor exhibited a significant higher level of sucrose (δ 5.40) and fructose (δ 4.16) in comparison with the other four varieties which can be associated with the distinctive sweet taste of this variety. Dates originated from Madinah and Tunisia exhibited a contrast manner in the amount of xylose and moisture content. These two aspects may contribute towards the soft texture of Tunisian dates. All Madinah dates were found to contain phenolic compounds which were well established as great antioxidant and anti-inflammatory agent. Ajwa dates exerted greater effect in inhibiting the generation of nitric oxide (NO) from the stimulated RAW264.7 cells at 95.37% inhibition. Succinic acid was suggested to have the most significant correlation with the trend of NO inhibitory shown by the selected date palm varieties.
Fully automated segmentation of the left ventricle in cine cardiac MRI using neural network regression

Tan LK, McLaughlin RA, Lim E, Abdul Aziz YF, Liew YM

J Magn Reson Imaging, 2018 07;48(1):140-152.
PMID: 29316024 DOI: 10.1002/jmri.25932

BACKGROUND: Left ventricle (LV) structure and functions are the primary assessment performed in most clinical cardiac MRI protocols. Fully automated LV segmentation might improve the efficiency and reproducibility of clinical assessment.
PURPOSE: To develop and validate a fully automated neural network regression-based algorithm for segmentation of the LV in cardiac MRI, with full coverage from apex to base across all cardiac phases, utilizing both short axis (SA) and long axis (LA) scans.
STUDY TYPE: Cross-sectional survey; diagnostic accuracy.
SUBJECTS: In all, 200 subjects with coronary artery diseases and regional wall motion abnormalities from the public 2011 Left Ventricle Segmentation Challenge (LVSC) database; 1140 subjects with a mix of normal and abnormal cardiac functions from the public Kaggle Second Annual Data Science Bowl database.
FIELD STRENGTH/SEQUENCE: 1.5T, steady-state free precession.
ASSESSMENT: Reference standard data generated by experienced cardiac radiologists. Quantitative measurement and comparison via Jaccard and Dice index, modified Hausdorff distance (MHD), and blood volume.
STATISTICAL TESTS: Paired t-tests compared to previous work.
RESULTS: Tested against the LVSC database, we obtained 0.77 ± 0.11 (Jaccard index) and 1.33 ± 0.71 mm (MHD), both metrics demonstrating statistically significant improvement (P < 0.001) compared to previous work. Tested against the Kaggle database, the signed difference in evaluated blood volume was +7.2 ± 13.0 mL and -19.8 ± 18.8 mL for the end-systolic (ES) and end-diastolic (ED) phases, respectively, with a statistically significant improvement (P < 0.001) for the ED phase.
DATA CONCLUSION: A fully automated LV segmentation algorithm was developed and validated against a diverse set of cardiac cine MRI data sourced from multiple imaging centers and scanner types. The strong performance overall is suggestive of practical clinical utility.
LEVEL OF EVIDENCE: 3 Technical Efficacy: Stage 2 J. Magn. Reson. Imaging 2018.
Urinary metabolic profiling of cisplatin nephrotoxicity and nephroprotective effects of Orthosiphon stamineus leaves elucidated by 1H NMR spectroscopy

Pariyani R, Ismail IS, Azam A, Khatib A, Abas F, Shaari K, et al.

J Pharm Biomed Anal, 2017 Feb 20;135:20-30.
PMID: 27987392 DOI: 10.1016/j.jpba.2016.12.010

Orthosiphon stamineus (OS) is a popular medicinal herb used in traditional Chinese medicine as a diuretic agent and for renal system disorders. This study employed 1H NMR based metabolomics approach to investigate the possible protective activity of OS in cisplatin induced nephrotoxicity owing to its diuretic and antioxidant activities. Aqueous (OSAE) and 50% aqueous ethanolic (OSFE) extracts of OS leaves were orally administered at 400mg/kg BW doses to rats which were then intraperitoneally injected with cisplatin at 5mg/kg BW dose. The 1H NMR profile of the urine samples collected on day 5 after cisplatin administration were analyzed by multivariate pattern recognition techniques, whereby 19 marker metabolites suggestive in the involvement of TCA cycle, disturbed energy metabolism, altered gut microflora and BCAA metabolism pathways were identified. It was observed that OSFE caused significant changes (p<0.05) in the levels of 8 markers namely leucine, acetate, hippurate, lysine, valine, 2-oxoglutarate, 3-HBT and acetoacetate resulting in a moderate ameliorative effect, however, it did not completely protect from nephrotoxicity. OSAE did not demonstrate significant down regulatory effects on any markers, albeit, it potentiated the cisplatin nephrotoxicity by inducing significant increase in glucose, glycine, creatinine, citrate, TMAO, acetate and creatine levels. A Principal Component Analysis (PCA) of the 1H NMR spectra of OS extracts identified that OSFE had higher concentrations of the secondary metabolites such as caffeic acid, chlorogenic acid, protocatechuic acid and orthosiphol, among others. Whereas, OSAE was characterized by higher concentrations of acetate, lactate, succinic acid, valine and phosphatidylcholine. This research denotes the first comprehensive analysis to identify the effects of OS extracts on cisplatin nephrotoxicity.
Fulltext Chronic care model in primary care: can it improve health-related quality of life?

Aryani FMY, Lee SWH, Chua SS, Kok LC, Efendie B, Paraidathathu T

Integr Pharm Res Pract, 2016;5:11-17.
PMID: 29354534 DOI: 10.2147/IPRP.S92448

Purpose: Chronic diseases such as hypertension, diabetes mellitus, and hyperlipidemia are public health concerns. However, little is known about how these affect patient-level health measures. The aim of the study was to examine the impact of a chronic care model (CCM) on the participant's health-related quality of life (QoL).
Patients and methods: Participants received either usual care or CCM by a team of health care professionals including pharmacists, nurses, dietitians, and general practitioners. The participants in the intervention group received medication counseling, adherence, and dietary advice from the health care team. The QoL was measured using the EQ-5D (EuroQoL-five dimension, health-related quality of life questionnaire) and comparison was made between usual care and intervention groups at the beginning and end of the study at 6 months.
Results: Mean (standard deviation) EQ-5D index scores improved significantly in the intervention group (0.92±0.10 vs 0.95±0.08; P≤0.01), but not in the usual care group (0.94±0.09 vs 0.95±0.09; P=0.084). Similarly, more participants in the intervention group reported improvements in their QoL compared with the usual care group, especially in the pain/discomfort and anxiety/depression dimensions.
Conclusion: The implementation of the CCM resulted in significant improvement in QoL. An interdisciplinary team CCM approach should be encouraged, to ultimately result in behavior changes and improve the QoL of the patients.
Automatic localization of the left ventricular blood pool centroid in short axis cardiac cine MR images

Tan LK, Liew YM, Lim E, Abdul Aziz YF, Chee KH, McLaughlin RA

Med Biol Eng Comput, 2018 Jun;56(6):1053-1062.
PMID: 29147835 DOI: 10.1007/s11517-017-1750-7

In this paper, we develop and validate an open source, fully automatic algorithm to localize the left ventricular (LV) blood pool centroid in short axis cardiac cine MR images, enabling follow-on automated LV segmentation algorithms. The algorithm comprises four steps: (i) quantify motion to determine an initial region of interest surrounding the heart, (ii) identify potential 2D objects of interest using an intensity-based segmentation, (iii) assess contraction/expansion, circularity, and proximity to lung tissue to score all objects of interest in terms of their likelihood of constituting part of the LV, and (iv) aggregate the objects into connected groups and construct the final LV blood pool volume and centroid. This algorithm was tested against 1140 datasets from the Kaggle Second Annual Data Science Bowl, as well as 45 datasets from the STACOM 2009 Cardiac MR Left Ventricle Segmentation Challenge. Correct LV localization was confirmed in 97.3% of the datasets. The mean absolute error between the gold standard and localization centroids was 2.8 to 4.7 mm, or 12 to 22% of the average endocardial radius. Graphical abstract Fully automated localization of the left ventricular blood pool in short axis cardiac cine MR images.
Fulltext Metabolite profiling, antioxidant, and α-glucosidase inhibitory activities of germinated rice: nuclear-magnetic-resonance-based metabolomics study

Pramai P, Abdul Hamid NA, Mediani A, Maulidiani M, Abas F, Jiamyangyuen S

J Food Drug Anal, 2018 01;26(1):47-57.
PMID: 29389588 DOI: 10.1016/j.jfda.2016.11.023

In an attempt to profile the metabolites of three different varieties of germinated rice, specifically black (GBR), red, and white rice, a 1H-nuclear-magnetic-resonance-based metabolomics approach was conducted. Multivariate data analysis was applied to discriminate between the three different varieties using a partial least squares discriminant analysis (PLS-DA) model. The PLS model was used to evaluate the relationship between chemicals and biological activities of germinated rice. The PLS-DA score plot exhibited a noticeable separation between the three rice varieties into three clusters by PC1 and PC2. The PLS model indicated that α-linolenic acid, γ-oryzanol, α-tocopherol, γ-aminobutyric acid, 3-hydroxybutyric acid, fumaric acid, fatty acids, threonine, tryptophan, and vanillic acid were significantly correlated with the higher bioactivities demonstrated by GBR that was extracted in 100% ethanol. Subsequently, the proposed biosynthetic pathway analysis revealed that the increased quantities of secondary metabolites found in GBR may contribute to its nutritional value and health benefits.
Fulltext Effect of Functionalised and Non-Functionalised Carbon Nanotubes-Urea Fertilizer on the Growth of Paddy

Yatim NM, Shaaban A, Dimin MF, Yusof F, Razak JA

Trop Life Sci Res, 2018 Mar;29(1):17-35.
PMID: 29644013 MyJurnal DOI: 10.21315/tlsr2018.29.1.2

The roles of multi-walled carbon nanotubes (MWNTs) and functionalised multiwalled carbon nanotubes (fMWNTs) in enhancing the efficacy of urea fertilizer (UF) as plant nutrition for local MR219 paddy variety was investigated. The MWNTs and fMWNTs were grafted onto UF to produce UF-MWNTs fertilizer with three different conditions, coded as FMU1 (0.6 wt. % fMWNTs), FMU2 (0.1 wt. % fMWNTs) and MU (0.6 wt. % MWNTs. The batches of MR219 paddy were systematically grown in accordance to the general practice performed by the Malaysian Agricultural Research and Development Institute (MARDI). The procedure was conducted using a pot under exposure to natural light at three different fertilization times; after a certain number of days of sowing (DAS) at 14, 35 and 55 days. Interestingly, it was found that the crop growth of plants treated with FMU1 and FMU2 significantly increased by 22.6% and 38.5% compared to plants with MU addition. Also, paddy treated with FMU1 produced 21.4% higher number of panicles and 35% more grain yield than MU while paddy treated with FMU2 gave 28.6% more number of panicles and 36% higher grain yield than MU, which implies the advantage of fMWNTs over MWNTs to be combined with UF as plant nutrition. The chemical composition and morphology of UF-MWNTs fertilizers which is further characterised by FTiR and FESEM confirmed the successful and homogeneous grafting of UF onto the fMWNTs.
Stability of a concentrated oil-in-water emulsion model prepared using palm olein-based diacylglycerol/virgin coconut oil blends: Effects of the rheological properties, droplet size distribution and microstructure

Ng SP, Lai OM, Abas F, Lim HK, Tan CP

Food Res Int, 2014 Oct;64:919-930.
PMID: 30011735 DOI: 10.1016/j.foodres.2014.08.045

The rheological properties, microstructure, textural properties, colour and droplet size distribution of mayonnaise-like emulsion models prepared using 10-30wt.% of palm olein-based diacylglycerol (POL-DAG) oil were compared with those of the control (100wt.% VCO) model. There were significant (P<0.05) differences in the particle size distribution of the oil droplets, the textural properties, and the rheological properties of the various emulsion models. The rheological analysis included the determination of the flow curves, yield stress, thixotropy, apparent viscosity, and viscoelastic parameters. The concentrated oil-in-water (O/W) emulsion with 30wt.% POL-DAG substitution exhibited high thixotropy. The POL-DAG content had a substantial effect on the rheological properties of yield stress, storage modulus (G') and loss modulus (G″). The pseudoplastic behaviour of the emulsions was demonstrated. The size of the particles in the 30% POL-DAG-substituted emulsion was dramatically increased after one day and 30days of storage. All of the emulsion samples with POL-DAG substituted for VCO showed a relatively non-uniform bimodal droplet size distribution after one day of storage. In general, substitution of 10-20wt.% POL-DAG oil is appropriate for preparing O/W emulsions that had flow curves and textural properties similar to those of the control sample.
Fulltext Metabolite Profiling of the Microalgal Diatom Chaetoceros Calcitrans and Correlation with Antioxidant and Nitric Oxide Inhibitory Activities via ¹H NMR-Based Metabolomics

Azizan A, Ahamad Bustamam MS, Maulidiani M, Shaari K, Ismail IS, Nagao N, et al.

Mar Drugs, 2018 May 07;16(5).
PMID: 29735927 DOI: 10.3390/md16050154

Microalgae are promising candidate resources from marine ecology for health-improving effects. Metabolite profiling of the microalgal diatom, Chaetoceros calcitrans was conducted by using robust metabolomics tools, namely ¹H nuclear magnetic resonance (NMR) spectroscopy coupled with multivariate data analysis (MVDA). The unsupervised data analysis, using principal component analysis (PCA), resolved the five types of extracts made by solvents ranging from polar to non-polar into five different clusters. Collectively, with various extraction solvents, 11 amino acids, cholesterol, 6 fatty acids, 2 sugars, 1 osmolyte, 6 carotenoids and 2 chlorophyll pigments were identified. The fatty acids and both carotenoid pigments as well as chlorophyll, were observed in the extracts made from medium polar (acetone, chloroform) and non-polar (hexane) solvents. It is suggested that the compounds were the characteristic markers that influenced the separation between the clusters. Based on partial least square (PLS) analysis, fucoxanthin, astaxanthin, violaxanthin, zeaxanthin, canthaxanthin, and lutein displayed strong correlation to 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging and nitric oxide (NO) inhibitory activity. This metabolomics study showed that solvent extractions are one of the main bottlenecks for the maximum recovery of bioactive microalgal compounds and could be a better source of natural antioxidants due to a high value of metabolites.
Inhibition of UVB-induced pro-inflammatory cytokines and MMP expression by Zanthoxylum rhetsa bark extract and its active constituent hesperidin

Santhanam RK, Fakurazi S, Ahmad S, Abas F, Ismail IS, Rukayadi Y, et al.

Phytother Res, 2018 Aug;32(8):1608-1616.
PMID: 29672974 DOI: 10.1002/ptr.6092

The antiphoto aging property of Zanthoxylum rhetsa obtained from Pangkor Island, Malaysia, was evaluated. Solvent fractions of different polarity obtained from the methanolic extract of the bark material were initially tested for anticollagenase and antielastase activities. The ethyl acetate fraction showed bioactivity against the protease enzymes. Hence, it was subjected to further purification via column chromatography, to yield a major constituent, hesperidin. Subsequently, the ethyl acetate fraction and hesperidin were tested for their effects against UVB-induced cytotoxicity and expressions of inflammatory cytokines (IL-6, IL-1β, and TNF-α), NF-κB, and MMPs (MMP1, 3, and 9) in human dermal fibroblasts (HDF). Both fraction and pure compound prevented UVB-induced cytotoxicity in HDF cells, in a dose dependent manner. Moreover, the ethyl acetate fraction inhibited the increase of pro-inflammatory cytokines induced by UVB to a level similar to the control (without UV treatment). Additionally, the fraction significantly inhibited the expressions of NF-κB, MMP 1, MMP 3, and MMP 9 in HDF cells treated with UVB. Similar effects were observed with hesperidin. The results obtained suggested that the ethyl acetate fraction of Z. rhetsa and its bioactive constituent, hesperidin, have the potential to be used as active ingredients in sunscreen and antiphoto aging formulations.
Fulltext The immunohistochemical and urodynamic evaluation towards the collagen-coated and non-coated polypropylene meshes implanted in the pelvic wall of the rats

Lo TS, Lin YH, Yusoff FM, Chu HC, Hsieh WC, Uy-Patrimonio MC

Sci Rep, 2016 12 19;6:38960.
PMID: 27991501 DOI: 10.1038/srep38960

Our aim is to study the inflammatory response towards the collagen-coated and non-coated polypropylene meshes in rats and the urodynamic investigation post-operatively. Forty-two female Sprague Dawley were divided into 7 groups of 6 rats; Control, Day 7 and 30 for Sham, Avaulta Plus (MPC), Perigee (MP). UDS were taken at days 7 and 30. Mesh with the vagina and bladder wall was removed and sent for immunohistochemical examination. Results showed intense inflammatory reaction on day 7 in the study groups which decreased on day 30. IL-1, TNF-α, MMP-2 and CD31 were observed to decrease from day 7 to day 30. NGF was almost normal on day 30 in all groups. UDS showed no difference in voiding pressure. Both Study and Sham groups had shorter voiding interval (VI) on day 7 but significantly lower in MPC. VI had significantly increased on day 30 in all groups. Voided volume was significantly lower in the mesh groups even when an increase was seen on day 30. In conclusion, the higher levels of IL-1, TNF-α and MMP-2 in collagen-coated polypropylene mesh imply greater inflammation than the non-coated polypropylene mesh. Mesh implantation can lead to shorter voiding interval and smaller bladder capacity.
Graphene-magnetite as adsorbent for magnetic solid phase extraction of 4-hydroxybenzoic acid and 3,4-dihydroxybenzoic acid in stingless bee honey

Musa M, Wan Ibrahim WA, Mohd Marsin F, Abdul Keyon AS, Rashidi Nodeh H

Food Chem, 2018 Nov 01;265:165-172.
PMID: 29884368 DOI: 10.1016/j.foodchem.2018.04.020

Graphene-magnetite composite (G-Fe3O4) was successfully synthesized and applied as adsorbent for magnetic solid phase extraction (MSPE) of two phenolic acids namely 4-hydroxybenzoic acid (4-HB) and 3,4-dihydroxybenzoic acid (3,4-DHB) from stingless bee honey prior to analysis using high performance liquid chromatography with ultraviolet-visible detection (HPLC-UV/Vis). Several MSPE parameters affecting extraction of these two acids were optimized. Optimum MSPE conditions were 50 mg of G-Fe3O4 adsorbent, 5 min extraction time at 1600 rpm, 30 mL sample volume, sample solution pH 0.5, 200 µL methanol as desorption solvent (5 min sonication assisted) and 5% w/v NaCl. The LODs (3 S/N) calculated for 4-HB and 3,4-DHB were 0.08 and 0.14 µg/g, respectively. Good relative recoveries (72.6-110.6%) and reproducibility values (RSD 
1H NMR and antioxidant profiles of polar and non-polar extracts of persimmon (Diospyros kaki L.) - Metabolomics study based on cultivars and origins

Maulidiani M, Mediani A, Abas F, Park YS, Park YK, Kim YM, et al.

Talanta, 2018 Jul 01;184:277-286.
PMID: 29674043 DOI: 10.1016/j.talanta.2018.02.084

Persimmon (Diospyros kaki L.) is one of the most important fruits that has been consumed for its medicinal properties due to the presence of some active metabolites, particularly polyphenols and carotenoids. Previously described methods, including HPLC, were limited in the determination of metabolites in different persimmon varieties. The present study shows the evaluation and the differences among persimmon polar and non-polar extracts by 1H NMR-based metabolomics approach. The hierarchical clustering analysis (HCA) based on score values of principal component analysis (PCA) model was used to analyze the important compounds in investigated fruits. The 1H NMR spectrum of persimmon chloroform (CDCl3) extracts showed different types of compounds as compared to polar methanol-water (CD3OD-D2O) ones. Persimmons growing in Israel were clustered different from those growing in Korea with the abundance of phenolic compounds (gallic, caffeic and protocathecuic acids), carotenoids (β-cryptoxanthin, lutein, and zeaxanthin), amino acids (alanine), maltose, uridine, and fatty acids (myristic and palmitoleic acids). Glucose, choline and formic acid were more prominent in persimmon growing in Korea. In CD3OD-D2O and CDCl3 persimmon extracts, 43 metabolites were identified. The metabolic differences were shown as well on the results of bioactivities and antioxidant capacities determined by ABTS, FRAP, CUPRAC and DPPH assays. The presented methods can be widely used for quantitation of multiple compounds in many plant and biological samples especially in vegetables and fruits.
Assessing regional left ventricular thickening dysfunction and dyssynchrony via personalized modeling and 3D wall thickness measurements for acute myocardial infarction

Khalid A, Lim E, Chan BT, Abdul Aziz YF, Chee KH, Yap HJ, et al.

J Magn Reson Imaging, 2019 04;49(4):1006-1019.
PMID: 30211445 DOI: 10.1002/jmri.26302

BACKGROUND: Existing clinical diagnostic and assessment methods could be improved to facilitate early detection and treatment of cardiac dysfunction associated with acute myocardial infarction (AMI) to reduce morbidity and mortality.
PURPOSE: To develop 3D personalized left ventricular (LV) models and thickening assessment framework for assessing regional wall thickening dysfunction and dyssynchrony in AMI patients.
STUDY TYPE: Retrospective study, diagnostic accuracy.
SUBJECTS: Forty-four subjects consisting of 15 healthy subjects and 29 AMI patients.
FIELD STRENGTH/SEQUENCE: 1.5T/steady-state free precession cine MRI scans; LGE MRI scans.
ASSESSMENT: Quantitative thickening measurements across all cardiac phases were correlated and validated against clinical evaluation of infarct transmurality by an experienced cardiac radiologist based on the American Heart Association (AHA) 17-segment model.
STATISTICAL TEST: Nonparametric 2-k related sample-based Kruskal-Wallis test; Mann-Whitney U-test; Pearson's correlation coefficient.
RESULTS: Healthy LV wall segments undergo significant wall thickening (P 50% transmurality) underwent remarkable wall thinning during contraction (thickening index [TI] = 1.46 ± 0.26 mm) as opposed to healthy myocardium (TI = 4.01 ± 1.04 mm). For AMI patients, LV that showed signs of thinning were found to be associated with a significantly higher percentage of dyssynchrony as compared with healthy subjects (dyssynchrony index [DI] = 15.0 ± 5.0% vs. 7.5 ± 2.0%, P
Fulltext A Comprehensive Review on Phytochemistry and Pharmacological Activities of Clinacanthus nutans (Burm.f.) Lindau

Khoo LW, Audrey Kow S, Lee MT, Tan CP, Shaari K, Tham CL, et al.

Evid Based Complement Alternat Med, 2018;2018:9276260.
PMID: 30105077 DOI: 10.1155/2018/9276260

Clinacanthus nutans (Burm.f.) Lindau (Acanthaceae), commonly known as Sabah snake grass, is a vegetable and a well-known herb that is considered an alternative medicine for insect bites, skin rashes, herpes infection, inflammation, and cancer and for health benefits. Current review aims to provide a well-tabulated repository of the phytochemical screening, identification and quantification, and the pharmacological information of C. nutans according to the experimental design and the plant preparation methods which make it outstanding compared to existing reviews. This review has documented valuable data obtained from all accessible library databases and electronic searches. For the first time we analyzed the presence of flavonoids, triterpenoids, steroids, phytosterols, and glycosides in C. nutans based on the results from phytochemical screening which are then further confirmed by conventional phytochemical isolation methods and advanced spectroscopic techniques. Phytochemical quantification further illustrated that C. nutans is a good source of phenolics and flavonoids. Pharmacological studies on C. nutans revealed that its polar extract could be a promising anti-inflammation, antiviral, anticancer, immune and neuromodulating, and plasmid DNA protective agent; that its semipolar extract could be a promising antiviral, anticancer, and wound healing agent; and that its nonpolar extract could be an excellent anticancer agent.
Fulltext Hits-to-Lead Optimization of the Natural Compound 2,4,6-Trihydroxy-3-geranyl-acetophenone (tHGA) as a Potent LOX Inhibitor: Synthesis, Structure-Activity Relationship (SAR) Study, and Computational Assignment

Ng CH, Rullah K, Abas F, Lam KW, Ismail IS, Jamaludin F, et al.

Molecules, 2018 Sep 30;23(10).
PMID: 30274341 DOI: 10.3390/molecules23102509

A new series of 2,4,6-trihydroxy-3-geranyl-acetophenone (tHGA) analogues were synthesized and evaluated for their lipoxygenase (LOX) inhibitory activity. Prenylated analogues 4a⁻g (half maximal inhibitory concentration (IC50) values ranging from 35 μ M to 95 μ M) did not exhibit better inhibitory activity than tHGA (3a) (IC50 value: 23.6 μ M) due to the reduction in hydrophobic interaction when the alkyl chain length was reduced. One geranylated analogue, 3d, with an IC50 value of 15.3 μ M, exhibited better LOX inhibitory activity when compared to tHGA (3a), which was in agreement with our previous findings. Kinetics study showed that the most active analogue (3e) and tHGA (3a) acted as competitive inhibitors. The combination of in silico approaches of molecular docking and molecular dynamic simulation revealed that the lipophilic nature of these analogues further enhanced the LOX inhibitory activity. Based on absorption, distribution, metabolism, excretion, and toxicity (ADMET) and toxicity prediction by komputer assisted technology (TOPKAT) analyses, all geranylated analogues (3a⁻g) showed no hepatotoxicity effect and were biodegradable, which indicated that they could be potentially safe drugs for treating inflammation.
EQ-5D-5L Valuation for the Malaysian Population

Shafie AA, Vasan Thakumar A, Lim CJ, Luo N, Rand-Hendriksen K, Md Yusof FA

Pharmacoeconomics, 2019 05;37(5):715-725.
PMID: 30535779 DOI: 10.1007/s40273-018-0758-7

OBJECTIVES: The aim of this study was to develop an EQ-5D-5L value set reflecting the health preferences of the Malaysian adult population.
METHODS: Respondents were sampled with quotas for urbanicity, gender, age, and ethnicity to ensure representativeness of the Malaysian population. The study was conducted using a standardized protocol involving the EuroQol Valuation Technology (EQ-VT) computer-assisted interview system. Respondents were administered ten composite time trade-off (C-TTO) tasks and seven discrete choice experiment (DCE) tasks. Both linear main effects and constrained non-linear regression models of C-TTO-only data and hybrid models combining C-TTO and DCE data were explored to determine an efficient and informative model for value set prediction.
RESULTS: Data from 1125 respondents representative of the Malaysian population were included in the analysis. Logical consistency was present in all models tested. Using cross-validation, eight-parameter models for C-TTO only and C-TTO + DCE hybrid data displayed greater out-of-sample predictive accuracy than their 20-parameter, main-effect counterparts. The hybrid eight-parameter model was chosen to represent the Malaysian value set, as it displayed greater out-of-sample predictive accuracy over C-TTO data than the C-TTO-only model, and produced more precise estimates. The estimated value set ranged from - 0.442 to 1.
CONCLUSIONS: The constrained eight-parameter hybrid model demonstrated the best potential in representing the Malaysian value set. The presence of the Malaysian EQ-5D-5L value set will facilitate its application in research and health technology assessment activities.

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