Displaying publications 1 - 20 of 537 in total

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  1. Nugroho AE, Wong CP, Hirasawa Y, Kaneda T, Tougan T, Horii T, et al.
    J Nat Med, 2023 Jun;77(3):596-603.
    PMID: 37162697 DOI: 10.1007/s11418-023-01706-w
    Ceramicines are a series of limonoids that were isolated from the bark of Malaysian Chisocheton ceramicus (Meliaceae) and were known to show various biological activity. Four new limonoids, ceramicines Q-T (1-4) were isolated from the barks of C. ceramicus, and their structures were determined on the basis of the 1D and 2D NMR analyses in combination with calculated 13C chemical shift data. Ceramicines Q-T (1-4) were established to be new limonoids with a cyclopentanone[α]phenanthren ring system with a β-furyl ring at C-17, and without a tetrahydrofuran ring like ceramicine B, which is characteristic of known ceramicines. Ceramicine R (2) exhibited potent antimalarial activity against Plasmodium falciparum 3D7 strain with IC50 value of 2.8 µM.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  2. Ismail SN, Maulidiani M, Akhtar MT, Abas F, Ismail IS, Khatib A, et al.
    Molecules, 2017 Sep 25;22(10).
    PMID: 28946701 DOI: 10.3390/molecules22101612
    Gaharu (agarwood, Aquilaria malaccensis Lamk.) is a valuable tropical rainforest product traded internationally for its distinctive fragrance. It is not only popular as incense and in perfumery, but also favored in traditional medicine due to its sedative, carminative, cardioprotective and analgesic effects. The current study addresses the chemical differences and similarities between gaharu samples of different grades, obtained commercially, using ¹H-NMR-based metabolomics. Two classification models: partial least squares-discriminant analysis (PLS-DA) and Random Forests were developed to classify the gaharu samples on the basis of their chemical constituents. The gaharu samples could be reclassified into a 'high grade' group (samples A, B and D), characterized by high contents of kusunol, jinkohol, and 10-epi-γ-eudesmol; an 'intermediate grade' group (samples C, F and G), dominated by fatty acid and vanillic acid; and a 'low grade' group (sample E and H), which had higher contents of aquilarone derivatives and phenylethyl chromones. The results showed that ¹H- NMR-based metabolomics can be a potential method to grade the quality of gaharu samples on the basis of their chemical constituents.
    Matched MeSH terms: Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy/methods*
  3. Ying Y, Tu S, Ni J, Lu X, Hu X, Lei P, et al.
    Fitoterapia, 2023 Oct;170:105662.
    PMID: 37648028 DOI: 10.1016/j.fitote.2023.105662
    Two new terrein derivatives asperterreinones A-B (1-2), one new octahydrocoumarin derivative (±)-asperterreinin A (6), along with seventeen known compounds, were isolated from Aspergillus terreus F6-3, a marine fungus associated with Johnius belengerii. The structures of 1, 2, and 6 were established on the basis of 1D and 2D NMR, mass spectroscopy, comparative electronic circular dichroism (ECD) spectra analysis, density functional theory calculation of 13C NMR, and DP4+ probability analysis. Among all the isolates, eurylene (7), a constituent of the Malaysian medicinal plant Eurycoma longifolia, was obtained from a microbial source for first time. In the in vitro bioassay, 11 and 13 showed potent inhibitory activity against the Escherichia coli β-glucuronidase (EcGUS) with IC50 values of 27.75 ± 0.73 and 17.73 ± 0.81 μM, respectively. It was the first time that questinol (11) and (±)-aspertertone B (13) were reported as potent EcGUS inhibitors.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  4. Holmes E, Wist J, Masuda R, Lodge S, Nitschke P, Kimhofer T, et al.
    J Proteome Res, 2021 Jun 04;20(6):3315-3329.
    PMID: 34009992 DOI: 10.1021/acs.jproteome.1c00224
    We present a multivariate metabotyping approach to assess the functional recovery of nonhospitalized COVID-19 patients and the possible biochemical sequelae of "Post-Acute COVID-19 Syndrome", colloquially known as long-COVID. Blood samples were taken from patients ca. 3 months after acute COVID-19 infection with further assessment of symptoms at 6 months. Some 57% of the patients had one or more persistent symptoms including respiratory-related symptoms like cough, dyspnea, and rhinorrhea or other nonrespiratory symptoms including chronic fatigue, anosmia, myalgia, or joint pain. Plasma samples were quantitatively analyzed for lipoproteins, glycoproteins, amino acids, biogenic amines, and tryptophan pathway intermediates using Nuclear Magnetic Resonance (NMR) spectroscopy and mass spectrometry. Metabolic data for the follow-up patients (n = 27) were compared with controls (n = 41) and hospitalized severe acute respiratory syndrome SARS-CoV-2 positive patients (n = 18, with multiple time-points). Univariate and multivariate statistics revealed variable patterns of functional recovery with many patients exhibiting residual COVID-19 biomarker signatures. Several parameters were persistently perturbed, e.g., elevated taurine (p = 3.6 × 10-3 versus controls) and reduced glutamine/glutamate ratio (p = 6.95 × 10-8 versus controls), indicative of possible liver and muscle damage and a high energy demand linked to more generalized tissue repair or immune function. Some parameters showed near-complete normalization, e.g., the plasma apolipoprotein B100/A1 ratio was similar to that of healthy controls but significantly lower (p = 4.2 × 10-3) than post-acute COVID-19 patients, reflecting partial reversion of the metabolic phenotype (phenoreversion) toward the healthy metabolic state. Plasma neopterin was normalized in all follow-up patients, indicative of a reduction in the adaptive immune activity that has been previously detected in active SARS-CoV-2 infection. Other systemic inflammatory biomarkers such as GlycA and the kynurenine/tryptophan ratio remained elevated in some, but not all, patients. Correlation analysis, principal component analysis (PCA), and orthogonal-partial least-squares discriminant analysis (O-PLS-DA) showed that the follow-up patients were, as a group, metabolically distinct from controls and partially comapped with the acute-phase patients. Significant systematic metabolic differences between asymptomatic and symptomatic follow-up patients were also observed for multiple metabolites. The overall metabolic variance of the symptomatic patients was significantly greater than that of nonsymptomatic patients for multiple parameters (χ2p = 0.014). Thus, asymptomatic follow-up patients including those with post-acute COVID-19 Syndrome displayed a spectrum of multiple persistent biochemical pathophysiology, suggesting that the metabolic phenotyping approach may be deployed for multisystem functional assessment of individual post-acute COVID-19 patients.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  5. Darfizzi Derawi, Jumat Salimon
    Sains Malaysiana, 2013;42:1121-1129.
    Sebatian poliol minyak sawit olein (di-hidroksi-POo) (70% hasil) disintesis melalui pembukaan gelang oksirana minyak sawit olein terepoksida (EPOo) secara hidrolisis selanjar dan berkelompok. Hasil optimum pembukaan gelang oksirana (97.2%) bagi kedua-dua tindak balas selama 90 min (tindak balas selanjar) dan 75 min (tindak balas berkelompok) dengan menggunakan mangkin asid perklorik 3% v/wt. Spektrum transformasi Fourier inframerah (FTIR) di-hidroksi-POo menunjukkan kehadiran puncak lebar getaran regangan kumpulan hidroksil pada nombor gelombang 3429 cm-1, menunjukkan sebatian poliol telah berjaya dihasilkan. Spektrum resonan magnetik nukleus-karbon (13C-NMR) di-hidroksi-POo telah menunjukkan kehadiran puncak karbon yang terikat dengan kumpulan hidroksil (74.5 ppm). Spektrum resonan magnetik nukleus-proton (1H-NMR) di-hidroksi-POo telah menunjukkan kehadiran puncak proton yang terikat pada karbon poliol (3.4 ppm) dan proton pada kumpulan hidroksil (4.6 ppm). Kelikatan kinematik produk poliol (nilai hidroksil sebanyak 110.7 mgKOH/g minyak) adalah 1435.2 cSt (40oC) dan 55.2 cSt (100oC) dengan indeks kelikatan 78.
    Matched MeSH terms: Carbon-13 Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  6. Ganesan K, Alias Y
    Int J Mol Sci, 2008 Jun;9(7):1207-13.
    PMID: 19325800 DOI: 10.3390/ijms9071207
    The (1)H-NMR shifts of the imidazolium protons of some novel dimeric ionic liquids were examined in various deuterated solvents. Interactions between the solvent and the imidazolium salt of butyl substituted ionic liquids were observed to give higher chemical shifts than methyl substitution.
    Matched MeSH terms: Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  7. Goh TB, Mordi MN, Mas Haris MR, Mansor SM
    Magn Reson Chem, 2015 Oct;53(10):857-9.
    PMID: 26137893 DOI: 10.1002/mrc.4273
    Matched MeSH terms: Magnetic Resonance Spectroscopy*
  8. Abdul-Hamid NA, Abas F, Maulidiani M, Ismail IS, Tham CL, Swarup S, et al.
    Anal Biochem, 2019 07 01;576:20-32.
    PMID: 30970239 DOI: 10.1016/j.ab.2019.04.001
    The variation in the extracellular metabolites of RAW 264.7 cells obtained from different passage numbers (passage 9, 12 and 14) was examined. The impact of different harvesting protocols (trypsinization and scraping) on recovery of intracellular metabolites was then assessed. The similarity and variation in the cell metabolome was investigated using 1H NMR metabolic profiling modeled using multivariate data analysis. The characterization and quantification of metabolites was performed to determine the passage-related and harvesting-dependent effects on impacted metabolic networks. The trypsinized RAW cells from lower passages gave higher intensities of most identified metabolites, including asparagine, serine and tryptophan. Principal component analysis revealed variation between cells from different passages and harvesting methods, as indicated by the formation of clusters in score plot. Analysis of S-plots revealed metabolites that acted as biomarkers in discriminating cells from different passages including acetate, serine, lactate and choline. Meanwhile lactate, glutamine and pyruvate served as biomarkers for differentiating trypsinized and scraped cells. In passage-dependent effects, glycolysis and TCA cycle were influential, whereas glycerophospholipid metabolism was affected by the harvesting method. Overall, it is proposed that typsinized RAW cells from lower passage numbers are more appropriate when conducting experiments related to NMR metabolomics.
    Matched MeSH terms: Magnetic Resonance Spectroscopy/methods*
  9. Abbasi MA, Ijaz M, Aziz-Ur-Rehman -, Siddiqui SZ, Ali Shah SA, Shahid M, et al.
    Pak J Pharm Sci, 2020 Jul;33(4):1609-1616.
    PMID: 33583794
    In the planned research work, the nucleophilic substitution reaction of 1-[(E)-3-phenyl-2-propenyl]piperazine (1) was carried out with different sulfonyl chlorides (2a-g) at pH 9-10 to synthesize its different N-sulfonated derivatives (3a-g). The structures of the synthesized compounds were characterized by their proton-nuclear magnetic resonance (1H-NMR), carbon-nuclear magnetic resonance (13C-NMR) and Infra Red (IR) spectral data, along with CHN analysis. The inhibition potential of the synthesized molecules was ascertained against two bacterial pathogenic strains i.e. Bacillus subtilis and Escherichia coli. It was inferred from the results that some of the compounds were very suitable inhibitors of these bacterial strains. Moreover, their cytotoxicity was also profiled and it was outcome that most of these molecules possessed moderate cytotoxicity.
    Matched MeSH terms: Carbon-13 Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  10. Athar Abbasi M, Raza H, Aziz-Ur-Rehman, Zahra Siddiqui S, Adnan Ali Shah S, Hassan M, et al.
    Bioorg Chem, 2019 03;83:63-75.
    PMID: 30342387 DOI: 10.1016/j.bioorg.2018.10.018
    Present work aimed to synthesize some unique bi-heterocyclic benzamides as lead compounds for the in vitro inhibition of urease enzyme, followed by in silico studies. These targeted benzamides were synthesized in good yields through a multi-step protocol and their structures were confirmed by IR, 1H NMR, 13C NMR, EI-MS and elemental analysis. The in vitro screening results showed that most of the ligands exhibited good inhibitory potentials against the urease. Chemo-informatics analysis envisaged that all these compounds obeyed the Lipinski's rule. Molecular docking results showed that 7h exhibited good binding energy value (-8.40 kcal/mol) and was bound within the active region of urease enzyme. From the present investigation, it was inferred that some of these potent urease inhibitors might serve as novel templates in drug designing.
    Matched MeSH terms: Carbon-13 Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  11. Asniza M, Issam A, Abdul Khalil H
    Sains Malaysiana, 2011;40:1123-1127.
    A new heterocyclic coupling agent has been produced from the reaction of maleic anhydride and p-aminophenol, namely N-(4-hydroxylpheneyl)maleimide. The coupling agent underwent azo coupling reaction with aromatic amine, which is p-aminophenol to produce a new heterocyclic azo pigment. The pigment was then subjected to solubility, hiding power and light fastness test. Fourier Transform Infrared Spectroscopy (FTIR), Ultraviolet/Visible (UV/Vis) Spectroscopy, and Nuclear Magnetic Resonance Spectroscopy (1H-NMR, 13C-NMR) were used to obtain the characteristics and structural features of the pigment.
    Matched MeSH terms: Carbon-13 Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  12. Chandradevan M, Simoh S, Mediani A, Ismail IS, Abas F
    Plant Foods Hum Nutr, 2020 Jun;75(2):243-251.
    PMID: 32152783 DOI: 10.1007/s11130-020-00805-3
    Gynura procumbens and Cleome gynandra are two herbs commonly used in Malaysia to treat various ailments and are also consumed as salads (ulam) and vegetables. The present study aims to evaluate the relationship between the chemical compositions of both herbs and their antioxidant and anti-inflammatory properties using nuclear magnetic resonance (NMR) metabolomics approach, which is being reported for the first time. Different ethanolic extracts of both herbs were tested for DPPH scavenging and inhibition of nitric oxide (NO) via RAW 264.7 macrophage cell induction. Principal component analysis (PCA) revealed a good separation between the extracts and the corresponding metabolites identified via 1H NMR spectroscopy. The 100% ethanolic extract from both herbs and 20% ethanolic extract of C. gynandra were found to have the best antioxidant and anti-inflammatory activities. Kaempferol, quercetin, caffeoylquinic, dicaffeoylquinic acids, gallic acid, mallic acid, citric acid, phenylalanine, and choline are among the metabolites that contributed to bioactivities. The partial least square (PLS) model for both herbs have an overall acceptable goodness of fit and predictive power, which further strengthens the validity of this study. The present study provides a preliminary reference for the selection of optimum extract and will shed some light on the potential use of G. procumbens and C. gynandra as a phytomedicinal preparation.
    Matched MeSH terms: Magnetic Resonance Spectroscopy; Proton Magnetic Resonance Spectroscopy
  13. Abdulazeez I, Ismail IS, Mohd Faudzi SM, Christianus A, Chong SG
    Drug Chem Toxicol, 2024 Jan;47(1):115-130.
    PMID: 37548163 DOI: 10.1080/01480545.2023.2242005
    Sodium taurocholate (NaT) is a hydrophobic bile salt that exhibits varying toxicity and antimicrobial activity. The accumulation of BSs during their entero-hepatic cycle causes cytotoxicity in the liver and intestine and could also alter the intestinal microbiome leading to various diseases. In this research, the acute toxicity of sodium taurocholate in different concentrations (3000 mg/L, 1500 mg/L, 750 mg/L, 375 mg/L, and 0 mg/L) was investigated on four months old zebrafish by immersion in water for 96 h. The results were determined based on the fish mortality, behavioral response, and NMR metabolomics analysis which revealed LC50 of 1760.32 mg/L and 1050.42 mg/L after 72 and 96 h treatment, respectively. However, the non-lethal NaT concentrations of 750 mg/L and 375 mg/L at 96 h exposure significantly (p ≤ 0.05) decreased the total distance traveled and the activity duration, also caused surface respiration on the zebrafish. Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) revealed that the metabolome of the fish treated with 750 mg/L was discriminated from that of the control by PC1. Major significantly downregulated metabolites by NaT-induction include valine, isoleucine, 2-hydroxyvalerate, glycine, glycerol, choline, glucose, pyruvate, anserine, threonine, carnitine and homoserine. On the contrary, taurine, creatine, lactate, acetate and 3-hydroxybutyrate were upregulated suggesting cellular consumption of lipids, glucose and amino acids for adenosine triphosphate (ATP) generation during immune and inflammatory response. whereby these metabolites were released in the process. In conclusion, the research revealed the toxic effect of NaT and its potential to trigger changes in zebrafish metabolism.
    Matched MeSH terms: Magnetic Resonance Spectroscopy/methods
  14. Sergeev A, Motyakin M, Barashkova I, Zaborova V, Krasulya O, Yusof NSM
    Ultrason Sonochem, 2021 Sep;77:105673.
    PMID: 34311321 DOI: 10.1016/j.ultsonch.2021.105673
    The effect of ultrasound treatment on molecular mobility and organization of the main components in raw goat milk was studied by EPR and NMR spectroscopies. NMR relaxation studies showed an increase in the spin-lattice T1 and spin-spin T2 relaxation times in goat milk products (cream, anhydrous fat) and change in the diffusion of proton-containing molecules during ultrasound treatment. The diffusion became more uniform and could be rather accurately approximated by one effective diffusion coefficient Deff, which indicates homogenization of goat milk components, dispersion of globular and supermicellar formations under sonication. EPR studies have shown that molecular mobility and organization of hydrophobic regions in goat milk are similar to those observed in micellar formations of surfactants with a hydrocarbon chain length C12-C16. Ultrasound treatment did not affect submicellar and protein globule organization. Free radicals arising under ultrasound impact of milk reacted quickly with components of goat milk (triglycerides, proteins, fatty acids) and were not observed by spin trapping method.
    Matched MeSH terms: Magnetic Resonance Spectroscopy*
  15. Ismail UN, Azlan CA, Khairullah S, Azman RR, Omar NF, Md Shah MN, et al.
    J Magn Reson Imaging, 2021 01;53(1):190-198.
    PMID: 33237616 DOI: 10.1002/jmri.27294
    BACKGROUND: β-thalassemia is a genetic disease that causes abnormal production of red blood cells (ineffective erythropoiesis, IE). IE is a condition known to change bone marrow composition.

    PURPOSE: To evaluate the effect of IE on the marrow fat content and fat unsaturation levels in the proximal femur using 1 H-MRS.

    STUDY TYPE: Prospective.

    SUBJECTS: Twenty-three subjects were included in this study, seven control and 16 β-thalassemia subjects.

    FIELD STRENGTH/SEQUENCE: 3.0T; stimulated echo acquisition Mode (STEAM); magnetic resonance spectroscopy (MRS) sequence.

    ASSESSMENT: Multiecho MRS scans were performed in four regions of the proximal left femur of each subject, that is, diaphysis, femoral neck, femoral head, and greater trochanter. The examined regions were grouped into red (diaphysis and femoral neck) and yellow marrow regions (femoral head and greater trochanter).

    STATISTICAL TESTS: The Jonckheere-Terpstra test was used to evaluate the impact of increasing disease severity on bone marrow fat fraction (BMFF), marrow conversion index, and fat unsaturation index (UI). Pairwise comparison analysis was performed when a significant trend (P 

    Matched MeSH terms: Magnetic Resonance Spectroscopy
  16. Ee, G.C.L., Jong, V.Y.M., Sukari, M.A., Lee, T.K., Tan, A.
    MyJurnal
    Our continuing interest in anthraquinones from the Guttiferae family has led us to look at the genus Cratoxylum. A detailed chemical study on Cratoxylum aborescens resulted in the isolation of three anthraquinones, namely 1,8-dihydroxy-3-methoxy-6-methylanthraquinone (1), vismiaquinone (2) and vismione (3). These compounds were identified using 1D and 2D NMR spectroscopy. This is the first report on the chemistry of Cratoxylum aborescens.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  17. Ee, G.C.L., Jong, V.Y.M., Sukari, M.A., Rahmani, M., Kua, A.S.M.
    MyJurnal
    The roots of Calophyllum inophyllum (Guttiferae), furnished six xanthones which are brasilixanthone (1), 1,3,5-trihydroxy-2- methoxy xanthone (2), caloxanthone A (3), pyranojacareubin (4), caloxanthone B (5) and tovopyrifolin (6), Structural elucidations of these compounds, were achieved through 1D and 2D NMR andMS techniques. In this paper, the isolation and structural elucidation data for these xanthones are reported.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  18. Syaidah Athirah Dzolin, Yusairie Mohd, Hadariah Bahron, Nurul Huda Abdul Halim
    MyJurnal
    The syntheses of salicylideneaniline (L1a) and 4-hydroxybenzalaniline (L1b) was carried out via condensation reaction giving yields of 80.74% and 81.65% respectively. The compounds were characterised by physical and spectroscopic techniques, namely melting point, micro elemental analysis (C, H and N), 1H Nuclear Magnetic Resonance (NMR) and Infrared (IR) spectroscopy. The characteristic n(C=N) peaks were observed at 1615 cm-1 and 1575 cm-1 respectively. Chronoamperometry (CA) was employed to electrodeposit both compounds on mild steel at 0.1 M inhibitor concentration in 0.3 M NaOH at three different potentials, +0.8 V, +1.05 V and +1.7 V. Formation of yellow imine films was observed on the mild steel. The corrosion behaviour of coated and uncoated mild steel was studied using Linear Polarization Resistance (LPR) in 0.5 M NaCl. Coated mild steel showed better corrosion resistance and with the highest inhibition efficiency of 90.34%, L1a provides a better protection against corrosion for mild steel than L1b.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  19. Nurwahidah, M., Wan, E.Z.W.A.R., Shaharuddin, C.S.
    MyJurnal
    This paper presents the application of active contours region-based method of image segmentation to Computed Tomography (CT) images. Previous researchers applied this region based method on Magnetic Resonance Image (MRI), in vivo images and synthetic images which contain intensity inhomogeneities. In this paper, a different modality known as Computed Tomography (CT) scan was applied. CT scan also produces images containing intensity inhomogeneity, and it is predicted that this method provide good segmentation results. The main objective of applying this method is to check its applicability on CT images. The segmentation process begins by finding the area of interest (black region). Results from this experiment are then used in estimating time of death. Experimental results show that this method has successfully segmented the black region when some parameters changed, provided that the regions are closed to each other. If the black regions are located far from each other, then this method will only segment certain areas.
    Matched MeSH terms: Magnetic Resonance Spectroscopy
  20. Darfizzi Derawi, Jumat Salimon
    Sains Malaysiana, 2016;45:817-823.
    Sebatian hidroksi-eter-POo
    (80% hasil) disintesis melalui pembukaan gelang oksirana minyak sawit olein terepoksida
    (EPOo
    ) secara alkoholisis. Hasil optimum pembukaan gelang oksirana (99.2%) dicapai dengan menggunakan asid
    sulfurik 3% v/bt pada suhu tindak balas yang tinggi (80o
    C) selama 30 minit masa tindak balas. Spektrum resonan
    magnetik nukleus-proton (1
    H-NMR) hidroksi-eter-POo
    telah menunjukkan kehadiran puncak proton pada karbon eter
    (3.2, 3.5 ppm) dan proton pada kumpulan hidroksil (4.8 ppm). Spektrum resonan magnetik nukleus-karbon (13C-NMR)
    hidroksi-eter-POo
    telah menunjukkan kehadiran puncak karbon yang terikat dengan kumpulan hidroksil (75 ppm) dan
    karbon pada karbonil kumpulan eter (72 ppm). Kelikatan kinematik hidroksi-eter-POo
    adalah 234.4 cSt (40o
    C) dan 28.1
    cSt (100o
    C) dengan indeks kelikatan 156.
    Matched MeSH terms: Carbon-13 Magnetic Resonance Spectroscopy
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