362 results on '"PROTON NUCLEAR MAGNETIC RESONANCE"'
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2. Tracing the origin of Taiping Houkui green tea using 1H NMR and HS-SPME-GC–MS chemical fingerprints, data fusion and chemometrics
- Author
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Jin, Ge, Zhu, Yuanyuan, Cui, Chuanjian, Yang, Chen, Hu, Shaode, Cai, Huimei, Ning, Jingming, Wei, Chaoling, Li, Aoxia, and Hou, Ruyan
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- 2023
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3. Chemometric Classification of Motor Oils Using 1H NMR Spectroscopy With Simultaneous Phase and Baseline Optimization.
- Author
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Olejniczak, A. and Łukaszewicz, J. P.
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PROTON magnetic resonance , *FISHER discriminant analysis , *LUBRICATING oils , *PRINCIPAL components analysis , *NUCLEAR magnetic resonance - Abstract
Here, we demonstrate mid‐field 1H NMR spectroscopy combined with chemometrics to be powerful in the classification and authentication of motor oils (MOs). The 1H NMR data were processed with a new algorithm for simultaneous phase and baseline correction, which, for crowded spectra such as those of the refinery products, allowed for more accurate estimation of phase parameters than other literature approaches tested. A principal component analysis (PCA) model based on the unbinned CH3 fingerprint region (0.6–1.0 ppm) enabled the differentiation of hydrocracked and poly‐α‐olefin‐based MOs and was effective in resolving mixtures of these base stocks with conventional base oils. PCA analysis of the 1.0‐ to 1.14‐ppm region enabled the detection of poly (isobutylene) additive and was useful for differentiating between single‐grade and multigrade MOs. Non‐equidistantly binned 1H NMR data were used to detect the addition of esters and to establish discriminant models for classifying MOs by viscosity grade and by major categories of synthetic, semisynthetic, and mineral oils. The performances of four classifiers (linear discriminant analysis [LDA], quadratic discriminant analysis [QDA], naïve Bayes classifier [NBC], and support vector machine [SVM]) with and without PCA dimensionality reduction were compared. In both tasks, SVM showed the best efficiency, with average error rates of ~2.3% and 8.15% for predicting major MO categories and viscosity grades, respectively. The potential to merge spectra collected from different NMR instruments is discussed for models based on spectral binning. It is also shown that small errors in phase parameters are not detrimental to binning‐based PCA models. [ABSTRACT FROM AUTHOR] more...
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- 2024
- Full Text
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4. Production and characterization of biodiesel fuel produced from third-generation feedstock.
- Author
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Verma, Suraj, Sahu, Deepak, and Almutairi, Bader O.
- Subjects
FATTY acid methyl esters ,ETHYL esters ,NUCLEAR magnetic resonance spectroscopy ,ALTERNATIVE fuels ,PROTON magnetic resonance spectroscopy ,BIODIESEL fuels ,METHYL formate - Abstract
Biodiesel is an eco-friendly, renewable alternative fuel, and it can be obtained from soybean oil, vegetable oils, animal fat, or microalgae. This study presents a comprehensive investigation into the production and characterization of microalgae biodiesel utilizing multiple analytical techniques, including CHNSO analysis, Fourier-transform infrared spectroscopy (FTIR), gas chromatography--mass spectrometry (GC--MS), and proton nuclear magnetic resonance spectroscopy (¹H NMR). The CHNSO analysis revealed the elemental composition of biodiesel blends, highlighting the effects of TiO
2 nanoparticle concentrations on carbon, nitrogen, sulfur, and oxygen content. With increasing TiO2 concentration, a steady increase in the carbon content and a gradual decrease in the nitrogen content were observed. According to the CHNSO analysis, the sulfur content of blended biodiesel was found to be lower than that of fossil diesel, with an empirical formula of CH2.26 N0.000584 S0.000993 O0.0517 . FTIR and 1H NMR spectroscopy confirmed the synthesis of biodiesel. Fouriertransform infrared resonance confirmed the presence of ester groups at 1732 cm-1 , and a prominent peak at 1,455 cm-1 indicated a higher carbon content in the blended biodiesel. GC--MS analysis identified compounds of fatty acid methyl esters (FAMEs) and hydrocarbons. The major components of FAMEs were 9-octadecenoic acid methyl ester (C19H36O2), linoleic acid ethyl ester (C20 H36 O2 ), and hexadecanoic acid methyl ester (C17 H34 O2 ), with compositions 20.65%, 9.67%, and 6.26%, respectively. The presence of methyl ester in the blended fuel suggests its potential as an alternative fuel source. [ABSTRACT FROM AUTHOR] more...- Published
- 2024
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5. Comparison of the Nuclear Spin Relaxation in Magnetic Cu(II) and Nonmagnetic Ni(II)-(bis)oxamato Complexes.
- Author
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Slesareva, Yu. V., Vavilova, E. L., Kandrashkin, Yu. E., and Zaripov, R. B.
- Abstract
The electronic system of molecular-based magnets is promising for use in quantum computing devices. Magnetic resonance techniques are used for magnetization manipulation and coherence tracking. The complexes [n-Bu
4 N]2 [Cu(opba)] and [n-Bu4 N]2 [Ni(opba)] have been studied by1 H NMR technique using different pulse protocols. It is shown that the interpulse delay shift and phase cycling approaches are applicable in1 H NMR, but it's not as efficient as they are in EPR. Since many nuclei positions completely suppress the unwanted echo contribution, the subensembles including the longitudinal magnetization evolution should be considered. [ABSTRACT FROM AUTHOR] more...- Published
- 2024
- Full Text
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6. Characterizing poorly controlled type 2 diabetes using 1H-NMR metabolomics.
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Theron, Isabella J., Mason, Shayne, van Reenen, Mari, Stander, Zinandré, Kleynhans, Léanie, Ronacher, Katharina, and Loots, Du Toit
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TYPE 2 diabetes , *PROTON magnetic resonance , *KREBS cycle , *METABOLOMICS , *NUCLEAR magnetic resonance , *AUTOPHAGY , *URINE - Abstract
Introduction: The prevalence of type 2 diabetes has surged to epidemic proportions and despite treatment administration/adherence, some individuals experience poorly controlled diabetes. While existing literature explores metabolic changes in type 2 diabetes, understanding metabolic derangement in poorly controlled cases remains limited. Objective: This investigation aimed to characterize the urine metabolome of poorly controlled type 2 diabetes in a South African cohort. Method: Using an untargeted proton nuclear magnetic resonance metabolomics approach, urine samples from 15 poorly controlled type 2 diabetes patients and 25 healthy controls were analyzed and statistically compared to identify differentiating metabolites. Results: The poorly controlled type 2 diabetes patients were characterized by elevated concentrations of various metabolites associated with changes to the macro-fuel pathways (including carbohydrate metabolism, ketogenesis, proteolysis, and the tricarboxylic acid cycle), autophagy and/or apoptosis, an uncontrolled diet, and kidney and liver damage. Conclusion: These results indicate that inhibited cellular glucose uptake in poorly controlled type 2 diabetes significantly affects energy-producing pathways, leading to apoptosis and/or autophagy, ultimately contributing to kidney and mild liver damage. The study also suggests poor dietary compliance as a cause of the patient's uncontrolled glycemic state. Collectively these findings offer a first-time comprehensive overview of urine metabolic changes in poorly controlled type 2 diabetes and its association with secondary diseases, offering potential insights for more targeted treatment strategies to prevent disease progression, treatment efficacy, and diet/treatment compliance. [ABSTRACT FROM AUTHOR] more...
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- 2024
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7. Rats Orally Administered with Ethyl Alcohol for a Prolonged Time Show Histopathology of the Epididymis and Seminal Vesicle Together with Changes in the Luminal Metabolite Composition.
- Author
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Taoto, Chayakorn, Tangsrisakda, Nareelak, Thukhammee, Wipawee, Phetcharaburanin, Jutarop, Iamsaard, Sitthichai, and Tanphaichitr, Nongnuj
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SEMINAL vesicles ,EPIDIDYMIS ,ETHANOL ,CELL anatomy ,RATS - Abstract
Prolonged ethanol (EtOH) consumption is associated with male infertility, with a decreased spermatogenesis rate as one cause. The defective maturation and development of sperm during their storage in the cauda epididymis and transit in the seminal vesicle can be another cause, possibly occurring before the drastic spermatogenesis disruption. Herein, we demonstrated that the cauda epididymis and seminal vesicle of rats, orally administered with EtOH under a regimen in which spermatogenesis was still ongoing, showed histological damage, including lesions, a decreased height of the epithelial cells and increased collagen fibers in the muscle layer, which implicated fibrosis. Lipid peroxidation (shown by malondialdehyde (MDA) levels) was observed, indicating that reactive oxygen species (ROS) were produced along with acetaldehyde during EtOH metabolism by CYP2E1. MDA, acetaldehyde and other lipid peroxidation products could further damage cellular components of the cauda epididymis and seminal vesicle, and this was supported by increased apoptosis (shown by a TUNEL assay and caspase 9/caspase 3 expression) in these two tissues of EtOH-treated rats. Consequently, the functionality of the cauda epididymis and seminal vesicle in EtOH-treated rats was impaired, as demonstrated by a decreases in
1 H NMR-analyzed metabolites (e.g., carnitine, fructose), which were important for sperm development, metabolism and survival in their lumen. [ABSTRACT FROM AUTHOR] more...- Published
- 2024
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8. Lessons learned: the use of an augmented reality application in organic chemistry laboratories.
- Author
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Ward, Lyniesha Wright, Spencer, Dan, Chauhan, Daivik, and Oliver-Hoyo, Maria
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AUGMENTED reality ,CHEMICAL laboratories ,ORGANIC chemistry ,PROTON magnetic resonance ,PSYCHOLOGY of students - Abstract
Immersive technologies such as augmented reality (AR) have the potential to enable students to remediate invalid assumptions about molecular structure through visualizing site-specific, non-observable chemical processes. In this study, we explore how this technology-embedded instruction impacted student perceptions and experiences in a collaborative face-to-face and independent remote organic chemistry laboratory, the latter of which occurred during the COVID-19 pandemic. While we acknowledge the emotional toll of the pandemic, it afforded a unique opportunity to compare the differences in implementation when covering the same material. We used a novel AR mobile application, H NMR MoleculAR, and a complementary worksheet to support students' understanding of proton nuclear magnetic resonance (1H NMR) spectroscopy. We gathered data using a mixed-methods pre-post survey about students' perceptions and experiences in the remote and in-person environments. There were differences in student user experience and perceptions of NMR knowledge, with face-to-face students showing more positive rankings. Although lower than those in face-to-face environments, perceptions of the remote environment remained neutral or positive for all measures. There were no differences in the reported number of challenges faced, but there were unique challenges in the remote learning environment. Our findings illuminate the complexity of factors that must be considered when implementing novel technologies into instruction in face-to-face and remote environments. We conclude by describing concrete lessons learned and considerations for researchers and instructors leveraging augmented reality. [ABSTRACT FROM AUTHOR] more...
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- 2024
- Full Text
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9. Effects of nasal allergens and environmental particulate matter on brainstem metabolites and the consequence of brain-spleen axis in allergic rhinitis
- Author
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JianShu Guo, Lei Lei, Haibo Yang, Bin Zhou, DongXia Fan, Biao Wu, Ge Wang, Lu Yu, ChiHang Zhang, Wenqing Zhang, QingJian Han, Xiao-Yong Zhang, and JinZhuo Zhao
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Allergic rhinitis ,Environmental pollutants ,Brain-spleen axis ,Proton nuclear magnetic resonance ,Brainstem metabolites ,Environmental sciences ,GE1-350 - Abstract
Background: The growing consensus links exposure to fine particulate matter (PM2.5) with an increased risk of respiratory diseases. However, little is known about the additional effects of particulate matter on brainstem function in allergic rhinitis (AR). Furthermore, it is unknown to what extent the PM2.5-induced effects in the brainstem affect the inflammatory response in AR. This study aimed to determine the effects, mechanisms and consequences of brainstem neural activity altered by allergenic stimulation and PM2.5 exposure. Methods: Using an AR model of ovalbumin (OVA) elicitation and whole-body PM2.5 exposure, the metabolic profile of the brainstem post-allergen stimulation was characterized through in vivo proton magnetic resonance imaging (1H-MRS). Then, the transient receptor potential vanilloid-1 (TRPV1) neuronal expression and sensitivity in the trigeminal nerve in AR were investigated. The link between TRPV1 expression and brainstem differential metabolites was also determined. Finally, we evaluated the mediating effects of brainstem metabolites and the consequences in the brain-spleen axis in the inflammatory response of AR. Results: Exposure to allergens and PM2.5 led to changes in the metabolic profiles of the brainstem, particularly affecting levels of glutamine (Gln) and glutamate (Glu). This exposure also increased the expression and sensitivity of TRPV1+ neurons in the trigeminal nerve, with the levels of TRPV1 expression closely linked to the brainstem metabolism of Glu and Gln. Moreover, allergens increased the activity of p38, while PM2.5 led to the phosphorylation of p38 and ERK, resulting in the upregulation of TRPV1 expression. The brainstem metabolites Glu and Gln were found to partially mediate the impact of TRPV1 on AR inflammation, which was supported by the presence of pro-inflammatory changes in the brain-spleen axis. Conclusion: Brainstem metabolites are altered under allergen stimulation and additional PM2.5 exposure in AR via sensitization of the trigeminal nerve, which exacerbates the inflammatory response via the brain-splenic axis. more...
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- 2024
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10. Blood and milk metabolites of Holstein dairy cattle for the development of objective indicators of a subacute ruminal acidosis
- Author
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Hyun Sang Kim, Jun Sik Eom, Shin Ja Lee, Youyoung Choi, Seong Uk Jo, Sang Suk Lee, Eun Tae Kim, and Sung Sill Lee
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concentrate ,dairy cow ,forage ,metabolite ,proton nuclear magnetic resonance ,ruminal acidosis ,Zoology ,QL1-991 - Abstract
Objective The purpose of this study was to perform a comparative analysis of metabolite levels in serum and milk obtained from cows fed on different concentrate to forage feed ratios. Methods Eight lactating Holstein cows were divided into two groups: a high forage ratio diet (HF; 80% Italian ryegrass and 20% concentrate of daily intake of dry matter) group and a high concentrate diet (HC; 20% Italian ryegrass and 80% concentrate) group. Blood was collected from the jugular vein, and milk was sampled using a milking machine. Metabolite levels in serum and milk were estimated using proton nuclear magnetic resonance and subjected to qualitative and quantitative analyses performed using Chenomx 8.4. For statistical analysis, Student’s t-test and multivariate analysis were performed using Metaboanalyst 4.0. Results In the principal component analysis, a clear distinction between the two groups regarding milk metabolites while serum metabolites were shown in similar. In serum, 95 metabolites were identified, and 13 metabolites (include leucine, lactulose, glucose, betaine, etc.) showed significant differences between the two groups. In milk, 122 metabolites were identified, and 20 metabolites (include urea, carnitine, acetate, butyrate, arabinitol, etc.) showed significant differences. Conclusion Our results show that different concentrate to forage feed ratios impact the metabolite levels in the serum and milk of lactating Holstein cows. A higher number of metabolites in milk, including those associated with milk fat synthesis and the presence of Escherichia coli in the rumen, differed between the two groups compared to that in the serum. The results of this study provide a useful insight into the metabolites associated with different concentrate to forge feed ratios in cows and may aid in the search for potential biomarkers for subacute ruminal acidosis. more...
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- 2023
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11. Lessons learned: the use of an augmented reality application in organic chemistry laboratories
- Author
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Lyniesha Wright Ward, Dan Spencer, Daivik Chauhan, and Maria Oliver-Hoyo
- Subjects
organic chemistry ,augmented reality ,laboratory learning ,remote learning ,proton nuclear magnetic resonance ,chemistry education research ,Education (General) ,L7-991 - Abstract
Immersive technologies such as augmented reality (AR) have the potential to enable students to remediate invalid assumptions about molecular structure through visualizing site-specific, non-observable chemical processes. In this study, we explore how this technology-embedded instruction impacted student perceptions and experiences in a collaborative face-to-face and independent remote organic chemistry laboratory, the latter of which occurred during the COVID-19 pandemic. While we acknowledge the emotional toll of the pandemic, it afforded a unique opportunity to compare the differences in implementation when covering the same material. We used a novel AR mobile application, H NMR MoleculAR, and a complementary worksheet to support students’ understanding of proton nuclear magnetic resonance (1H NMR) spectroscopy. We gathered data using a mixed-methods pre-post survey about students’ perceptions and experiences in the remote and in-person environments. There were differences in student user experience and perceptions of NMR knowledge, with face-to-face students showing more positive rankings. Although lower than those in face-to-face environments, perceptions of the remote environment remained neutral or positive for all measures. There were no differences in the reported number of challenges faced, but there were unique challenges in the remote learning environment. Our findings illuminate the complexity of factors that must be considered when implementing novel technologies into instruction in face-to-face and remote environments. We conclude by describing concrete lessons learned and considerations for researchers and instructors leveraging augmented reality. more...
- Published
- 2024
- Full Text
- View/download PDF
12. Lime-activated one-part geopolymer mortars from construction, demolition and industrial wastes
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Reginald B. Kogbara, Abdelrahman Al-Zubi, Youssef Mortada, Ahmad Hammoud, Eyad A. Masad, and Marwan K. Khraisheh
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Alkali activated mortar ,Brick waste ,Concrete waste ,Degree of crystallinity ,Proton nuclear magnetic resonance ,Technology - Abstract
This work focused on the production of one-part geopolymer mortars from construction and demolition wastes (CDW) blended with steel slag. Previous related studies on geopolymer production from CDW utilized conventional two-part geopolymers comprised of highly alkaline activator solutions and CDW materials. Thus, the study's significance consists in producing high-strength (≥35 MPa) ambient-cured mortars from CDW with predominantly concrete waste by replacing conventional highly alkaline activator solutions with an environmentally-friendly alkaline activator, Ca(OH)2 powder. Four mortar mixtures were produced with CDW contents ranging from 50 to 65 % dry weight, varying the brick waste content from 3 to 18 %. The effect of elevated temperature (40 °C) curing was also considered. The results showed that 55 % CDW content had optimum performance across all parameters studied such as compressive and flexural strengths, setting time, as well as changes in nuclear magnetic resonance (NMR)-determined pore structure (porosity and mean pore size) and x-ray diffraction (XRD)-determined degree of crystallinity over time. It had 28-day compressive and flexural strengths of 42 and 5.8 MPa, respectively, and initial and final setting times of 25 and 50 min. The importance of sufficient brick waste content in the geopolymer mixtures for effective mechanical performance is highlighted. The inclusion of concrete waste in powder form reduced compressive strength under ambient curing but improved performance at 40 °C curing. It is concluded that sustainable structural mortars can be produced by ‘just adding water’ to an optimized CDW mixture with predominantly concrete waste blended with brick waste and slag and activated by powdered Ca(OH)2. more...
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- 2024
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13. Development of a Single-Sided Magnetic Resonance Surface Scanner: Towards Non-Destructive Quantification of Moisture in Slaked Lime Plaster for Maintenance and Remediation of Heritage Architecture.
- Author
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Nakashima, Yoshito
- Subjects
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CALCIUM hydroxide , *MAGNETIC resonance , *PROTON magnetic resonance , *PLASTER , *PORE size distribution - Abstract
Single-sided time-domain proton magnetic resonance (MR) surface scanners are useful for non-destructive measurements of moisture. A mobile single-sided MR sensor unit employing two concentric ring magnets was constructed for the in situ quantification of moisture in slaked lime plaster used in the outer walls and roofs of heritage architecture. This sensor unit allows for non-destructive measurements of water proton relaxation 1.5 to 13.5 mm beneath the surfaces of walls and roofs. The following laboratory experiments on water-saturated porous slaked lime plaster samples were performed. (i) The porosity (water volume fraction) was measured in approximately eight minutes with a root mean square error of 1.9 vol%. (ii) The fundamental MR-related property (i.e. proton surface relaxivity) needed for the estimation of the pore size distribution was also measured successfully. (iii) The pore volume expansion due to frost damage was successfully detected as a significant change in the transverse relaxation time distribution. These results demonstrate that the portable MR surface scanner is a promising non-destructive testing tool for the maintenance and remediation of heritage architecture made of plaster. [ABSTRACT FROM AUTHOR] more...
- Published
- 2023
- Full Text
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14. The Accuracy of Diagnosis and Genotyping of Leishmania Species Based on Spliced Leader Mini-Exon Gene by Nuclear Magnetic Resonance and Sequencing Assays.
- Author
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Khorram, Mahyar, Masjedi, Heidar, Tabrizi, Fatemeh, Rezaei, Mitra, Tabarsi, Payam, Marjani, Majid, Pourabdoullah, Mihan, and Sheikholeslami, Fatemeh-Maryam
- Subjects
- *
NUCLEAR magnetic resonance , *PROTON magnetic resonance , *NUCLEAR magnetic resonance spectroscopy , *LEISHMANIA , *SPECIES , *GENES - Abstract
Background: We aimed to evaluate the accuracy of genotyping of Leishmania species by the spliced leader mini-exon gene. Methods: Suspected leishmaniasis patients, referred to Masieh Daneshvary Hospital, Tehran, Iran were included from May 2017 to September 2021. The Leishmania species were genotyped by PCRRFLP based on the SL mini-exon gene and the ITS1 region of SSU-rRNA gene and compared with the sequencing results. The expressed metabolites of metacyclic promastigotes were evaluated by Proton nuclear magnetic resonance (1H-NMR). Results: Out of 66 suspected cases, 36 (54.4%) were positive for Leishmania species based on the PCR assays. In 21 (31.8%) cases, promastigotes grew on culture tubes. Based on the RFLP of SL RNA profile, 13 (19.7%) L. tropica, 9 (13.6%) L. major, 3 (4.5%) L. infantum, and 8 (12.1%) C. fasciculata isolates, isolated from culture media, were identified; however, 3 (4.5%) cases were unidentifiable due to the low number of parasites. Seventeen metabolites were expressed by the metacyclic forms of L. major, L. tropica and C. fasciculata isolates. The top differential metabolites expressed more in C. fasciculata were FAD, p-Methoxybenzyl alcohol and S-b-G-5, 5-G-b-S (A = CH2) (P<0.005) whereas Veratryl glycerols and D-(+)-Mannose were significantly increased in L. major and Betulin, LTyrosine in L. tropica (P<0.01). Conclusion: The invaluable techniques such as sequencing and 1H-NMR confirmed the results of genotyping of Leishmania species based on the SL mini-exon gene. SL mini exon gene can be used as a diagnostic tool to differentiate various Leishmania genotypes and detect contamination of culture media with C. fasciculata. [ABSTRACT FROM AUTHOR] more...
- Published
- 2023
15. Characterization of Metabolites in an Endophytic Fungus Diaporthe fraxini via NMR-based Metabolomics and Cholinesterase Inhibitory Activity.
- Author
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Nagarajan, K., Ibrahim, B., Bawadikji, A.A., Khaw, K.-Y., Tong, W.-Y., Leong, C.-R., Ramanathan, S., and Tan, W.-N.
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PROTON magnetic resonance , *ACETYLCHOLINESTERASE , *ENDOPHYTIC fungi , *METABOLITES , *NUCLEAR magnetic resonance , *METABOLOMICS - Abstract
Endophytic Diaporthe is a fungal genus having an extensive distribution in plant hosts. It is known as a valuable source of bioactive metabolites with potent biological properties. In the present study, proton nuclear magnetic resonance (1H-NMR) coupled with multivariate analysis (MVA) was employed to discriminate the chemical profile of Diaporthe fraxini cultured under different growth conditions. Cholinesterase inhibitory assay was performed to assess the activity of the fungal extracts against acetylcholinesterase and butyrylcholinesterase. Discriminant metabolites responsible for the chemical variations were successfully obtained using 1H-NMR-based metabolomics approach. Principal component analysis showed a clear discrimination of the fungal extracts of D. fraxini grown under different conditions. Cholinesterase inhibitory activity studies revealed the potential of supplemented cultured fungal extract of D. fraxini as a source of cholinesterase inhibitor. [ABSTRACT FROM AUTHOR] more...
- Published
- 2023
- Full Text
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16. The Accuracy of Diagnosis and Genotyping of Leishmania Species Based on Spliced Leader Mini-Exon Gene by Nuclear Magnetic Resonance and Sequencing Assays
- Author
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Mahyar Khorram, Heidar Masjedi, Fatemeh Tabrizi, Mitra Sadat Rezaee, Payam Tabarsi, Majid Marjani, Mihan Pourabdoullah Toutkaboni, and Fatemeh Maryam Sheikholeslami
- Subjects
Proton nuclear magnetic resonance ,Leishmaniasis ,Spliced leader miniexon gene ,Genotyping ,C. fasciculata ,Infectious and parasitic diseases ,RC109-216 - Abstract
Background: We aimed to evaluate the accuracy of genotyping of Leishmania species by the spliced leader mini-exon gene. Methods: Suspected leishmaniasis patients, referred to Masieh Daneshvary Hospital, Tehran, Iran were included from May 2017 to September 2021. The Leishmania species were genotyped by PCR-RFLP based on the SL mini-exon gene and the ITS1 region of SSU-rRNA gene and compared with the sequencing results. The expressed metabolites of metacyclic promastigotes were evaluated by Proton nuclear magnetic resonance (1H-NMR). Results: Out of 66 suspected cases, 36 (54.4%) were positive for Leishmania species based on the PCR assays. In 21 (31.8%) cases, promastigotes grew on culture tubes. Based on the RFLP of SL RNA profile, 13 (19.7%) L. tropica, 9 (13.6%) L. major, 3 (4.5%) L. infantum, and 8 (12.1%) C. fasciculata isolates, isolated from culture media, were identified; however, 3 (4.5%) cases were unidentifiable due to the low number of parasites. Seventeen metabolites were expressed by the metacyclic forms of L. major, L. tropica and C. fasciculata isolates. The top differential metabolites expressed more in C. fasciculata were FAD, p-Methoxybenzyl alcohol and S-b-G-5, 5-G-b-S (A = CH2) (P more...
- Published
- 2023
17. Enhancing quantitative 1H NMR model generalizability on honey from different years through partial least squares subspace and optimal transport based unsupervised domain adaptation.
- Author
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Shan, Peng, Xiao, Hongming, Li, Xiang, Yang, Ruige, Zhang, Lin, and Zhao, Yuliang
- Subjects
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PROTON magnetic resonance , *NUCLEAR magnetic resonance , *PRINCIPAL components analysis , *LATENT variables , *NATURAL products - Abstract
Honey is a nourishing and natural food product that is widely favored by a diverse group of consumers. Proton Nuclear Magnetic Resonance (1H NMR) is a powerful tool for quantitative analysis of honey and plays a crucial role in ensuring its quality. The 1H NMR technique necessitates the utilization of multivariate calibration models to facilitate the quantitative analysis of key compounds present in honey. However, maintaining consistent measurement conditions across different years is scarcely possible, which can significantly impact the distribution of training and test spectra, ultimately leading to reduced performance of predictive models. Unsupervised domain adaptation (UDA) methods have gained considerable attention for their ability to match distribution differences between the labeled source spectra and the unlabeled target spectra without costly annotation. To enhance the quantitative model generalizability on honey from different years, we propose a UDA method known as partial least squares subspace and optimal transport-based UDA (PLSS-OT-UDA). This approach eliminates distribution differences between the source subspace and target subspace via partial least squares (PLS) dimensionality reduction and OT. Firstly, the optimal latent variable weight matrix from the source domain (i.e., labeled 1H NMR data in 2017) is extracted with PLS. Next, the dimension of both source and target domains (i.e., unlabeled 1H NMR data in 2018) is reduced and their corresponding subspaces are obtained with weight matrix of the source domain. Finally, OT is then employed to align the distribution of the source and target domains within the subspace. Experimental results on the honey dataset demonstrate that the PLSS-OT-UDA outperforms traditional methods, including transfer component analysis (TCA), optimal transport for domain adaptation (OTDA), domain adaptation based on principal component analysis and optimal transport (PCA-OTDA), and subspace alignment (SA), with respect to generalization performance on three components: baume degree, sugar content, and water content. • Utilizing 1H NMR and PLSS-OT-UDA for robust quantitative assessment of honey. • PLSS-OT-UDA aligns source and target subspaces through PLS and OT. • Minimizing Yearly Data Discrepancies to Improve Model Generalization Reliability. • Exhibited superior generalization in relation to baume degree, sugar content, and water content. [ABSTRACT FROM AUTHOR] more...
- Published
- 2024
- Full Text
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18. Analysis of Glycolate in Radioactive Waste by Ion Chromatography (IC) and Proton Nuclear Magnetic Resonance (H NMR).
- Author
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White, Thomas L., Coleman, Charles J., DiPrete, David D., Looney, Brian B., and Fondeur, Fernando F.
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PROTON magnetic resonance , *NUCLEAR magnetic resonance , *ION exchange chromatography , *RADIOACTIVE wastes , *LIQUID waste , *IONIC strength - Abstract
In preparation for implementing the Nitric-Glycolic (NG) acid flowsheet for the Savannah River Site (SRS) Liquid Waste System (LWS), analytical methods for determining glycolate at low concentration, below 20 mg/L in radioactive samples, were developed to support system management and safety. To accommodate the wide range of LWS matrix conditions, two alternative methods were developed, refined, and demonstrated for glycolate analysis in radioactive waste samples: ion chromatography (IC) and a proton nuclear magnetic resonance (H NMR). Investigators validated IC and H NMR methods for glycolate analysis, defined the range of applicability, and demonstrated key supporting analytical protocols. The deployed IC method is applicable in low to moderate ionic strength samples and requires sample pretreatment using a Dionex OnGuard II H+ cartridge. The deployed H NMR method is more labor intensive but provides options for a broader range of matrices. Based on the results, high quality glycolate analysis of the Defense Waste Processing Facility (DWPF) condensate in Tank 22 is feasible by IC down to approximately 12 mg/L. Using H NMR, glycolate may be determined to 8 mg/L or lower depending on the run time with the potential for broader applicability of the method to higher ionic strength conditions in other tanks of the SRS LWS. [ABSTRACT FROM AUTHOR] more...
- Published
- 2022
- Full Text
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19. Equilibrating magnetic dispersion and magnet homogeneity for the high-resolution proton nuclear magnetic resonance of monosubstituted naphthalenes.
- Author
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Becerra-Martínez, Elvia, Pérez-Hernández, Nury, Sánchez-Zavala, Maricruz, Meléndez-Rodríguez, Myriam, Aristeo-Dominguez, Alberto, Suárez-Castillo, Oscar R., and Joseph-Nathan, Pedro
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PROTON magnetic resonance , *NUCLEAR magnetic resonance , *COUPLING constants , *NAPHTHALENE , *HOMOGENEITY - Abstract
Accurate chemical shift and coupling constant for 1- and 2-naphthyl derivatives were decipher by iterative full spin analysis. Each of the seven magnetically nonequivalent H2–H8 atoms in 1-naphthyl derivatives, or of the H1, H3–H8 atoms in 2-naphthyl derivatives were unambiguously identified by analyzing their intra- and inter-ring coupling constants at 300 MHz and by two-dimensional homo- and heteronuclear experiments at 750 MHz. 13C chemical shifts were also determined during this study, from where some literature ambiguities were resolved using long-range C–H correlations at 750 MHz. The complete proton nuclear magnetic resonance parameters are herein ascribed for the first time. [ABSTRACT FROM AUTHOR] more...
- Published
- 2022
- Full Text
- View/download PDF
20. Metabolic phenotyping reveals a potential link between elevated faecal amino acids, diet and symptom severity in individuals with severe mental illness.
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Jansma, Jack, van Essen, Rogier, Haarman, Bartholomeus C.M., Chatziioannou, Anastasia Chrysovalantou, Borkent, Jenny, Ioannou, Magdalini, van Hemert, Saskia, Sommer, Iris E.C., and El Aidy, Sahar
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- *
MENTAL illness , *AMINO acids , *SCHIZOPHRENIA , *SYMPTOMS , *BIPOLAR disorder , *IRRITABLE colon - Abstract
The brain-gut axis is increasingly recognized as an important contributing factor in the onset and progression of severe mental illnesses such as schizophrenia spectrum disorders and bipolar disorder. This study investigates associations between levels of faecal metabolites identified using 1H-NMR, clinical parameters, and dietary components of forty-two individuals diagnosed in a transdiagnostic approach to have severe mental illness. Faecal levels of the amino acids; alanine, leucine, and valine showed a significant positive correlation with psychiatric symptom severity as well as with dairy intake. Overall, this study proposes a diet-induced link between the brain-gut axis and the severity of psychiatric symptoms, which could be valuable in the design of novel dietary or therapeutic interventions to improve psychiatric symptoms. [ABSTRACT FROM AUTHOR] more...
- Published
- 2022
- Full Text
- View/download PDF
21. Individual and Joint Effect of Alpha -Tocopherol and Hydroxytyrosol Acetate on the Oxidation of Sunflower Oil Submitted to Oxidative Conditions: A Study by Proton Nuclear Magnetic Resonance.
- Author
-
Caño-Ochoa, Sofía del, Ruiz-Aracama, Ainhoa, and Guillén, María D.
- Subjects
SUNFLOWER seed oil ,PROTON magnetic resonance ,NUCLEAR magnetic resonance ,HYDROXYTYROSOL ,ACETATES ,OXIDATION - Abstract
This study tackles the individual and joint effect of alpha-tocopherol and hydroxytyrosol acetate on the oxidation of sunflower oil submitted to accelerated storage conditions at intermediate temperature, in order to deepen the understanding of antioxidant–prooxidant behaviour. This was accomplished by
1 H Nuclear Magnetic Resonance. For this purpose, the evolution of the degradation of both the main components of the oil and the aforementioned added compounds was monitored by this technique throughout the storage time. Furthermore, the formation of a very large number of oxylipins and the evolution of their concentration up to a very advanced stage of oil oxidation, as well as the occurrence of lipolysis, were also simultaneously studied. The results obtained show very clearly and thoroughly that in the oxidation process of the oil enriched in binary mixtures, interactions occur between alpha-tocopherol and hydroxytyrosol acetate that notably reduce the antioxidant effect of the latter compound with the corresponding negative consequences that this entails. The methodology used here has proved to be very efficient to evaluate the antioxidant power of mixtures of compounds. [ABSTRACT FROM AUTHOR] more...- Published
- 2022
- Full Text
- View/download PDF
22. Nondestructive quantification of moisture in powdered low-rank coal by a unilateral nuclear magnetic resonance scanner.
- Author
-
Nakashima, Yoshito, Sawatsubashi, Tetsuya, and Fujii, Shuji
- Subjects
- *
NUCLEAR magnetic resonance , *COAL combustion , *PROTON magnetic resonance , *COAL-fired power plants , *COAL , *OPTICAL scanners , *LIGNITE , *MOISTURE content of food - Abstract
Moisture content in coal powder is a critical index because it controls the difficulty of coal handling and ultimately its combustion efficiency in coal-fired power plants. A unilateral proton nuclear magnetic resonance (NMR) scanner was applied in a laboratory to nondestructively quantify moisture content in powdered samples of brown and subbituminous coals. Due to the open geometry of the sensor unit, the scanner allows the nondestructive moisture quantification of a portion several millimeters below the surface of a large sample. Proton transverse relaxation was measured by the unilateral NMR scanner, and obtained moisture content values were compared with those by a conventional bilateral NMR apparatus. The comparison showed reasonable agreement with a root mean square residual of 4.1 wt.%H2O for a moisture content range of > 12 wt.%H2O (wet basis). This moisture-quantification performance by unilateral NMR is sufficient for the quality control of wet coal having a critical value of approximately 30 wt.%H2O in terms of the handling property (flow-ability). Because unilateral NMR requires no specific sample preparation, such as sample insertion into tubes, the system is potentially applicable to in-situ nondestructive monitoring of the coal moisture in power plants to contribute to improved efficiency of handling and combustion. [ABSTRACT FROM AUTHOR] more...
- Published
- 2022
- Full Text
- View/download PDF
23. Potential of Enterococcus faecium LM5.2 for lipopeptide biosurfactant production and its effect on the growth of maize (Zea mays L.)
- Author
-
Chaurasia, Lalit K., Tirwa, Ranjan K., and Tamang, Buddhiman
- Abstract
This study characterized the lipopeptide biosurfactants produced by lactic acid bacteria isolated from milk and milk products, in addition to their effect on maize plant growth. The oil displacement test was performed as a primary screening method to select the BS producing bacteria. The strain LM5.2 had the maximum emulsification index of 45.1 ± 3, reduced the surface tension to 32.98 ± 0.23% among all the isolates, and efficiently produced 945.26 ± 4.62 mg/l of biosurfactants within 48 h in MRS broth under the optimum conditions. The isolate LM5.2 was identified using physiochemical tests and 16S rRNA gene sequencing as E. faecium. The biosurfactant was purified by TLC and identified as lipopeptide-like iturins and surfactins based on Rf values. Mass spectroscopy, NMR, and FTIR analysis also confirmed the biosurfactant’s identity as the derivatives of iturin and surfactin. In vitro biosurfactant application significantly enhanced seedling growth at an optimal concentration of 450 µg/ml. Plant treatment (pot experiment) with E. faecium LM5.2 significantly promoted Zea mays growth compared to the control. To the best of our knowledge, this is the first report of lipopeptide biosurfactant production by E. faecium. Moreover, the study also showed that the biosurfactant and biosurfactant-producing E. faecium LM5.2 could be an eco-friendly plant growth-promoting agent. [ABSTRACT FROM AUTHOR] more...
- Published
- 2022
- Full Text
- View/download PDF
24. 1H Nuclear Magnetic Resonance: A Future Approach to the Metabolic Profiling of Psychedelics in Human Biofluids?
- Author
-
Sylvana Vilca-Melendez, Malin V. Uthaug, and Julian L. Griffin
- Subjects
psychedelics ,metabolomics ,proton nuclear magnetic resonance ,mass spectrometry ,liquid chromatography ,psilocybin ,Psychiatry ,RC435-571 - Abstract
While psychedelics may have therapeutic potential for treating mental health disorders such as depression, further research is needed to better understand their biological effects and mechanisms of action when considering the development of future novel therapy approaches. Psychedelic research could potentially benefit from the integration of metabonomics by proton nuclear magnetic resonance (1H NMR) spectroscopy which is an analytical chemistry-based approach that can measure the breakdown of drugs into their metabolites and their metabolic consequences from various biofluids. We have performed a systematic review with the primary aim of exploring published literature where 1H NMR analysed psychedelic substances including psilocin, lysergic acid diethylamide (LSD), LSD derivatives, N,N-dimethyltryptamine (DMT), 5-methoxy-N,N-dimethyltryptamine (5-MeO-DMT) and bufotenin. The second aim was to assess the benefits and limitations of 1H NMR spectroscopy-based metabolomics as a tool in psychedelic research and the final aim was to explore potential future directions. We found that the most current use of 1H NMR in psychedelic research has been for the structural elucidation and analytical characterisation of psychedelic molecules and that no papers used 1H NMR in the metabolic profiling of biofluids, thus exposing a current research gap and the underuse of 1H NMR. The efficacy of 1H NMR spectroscopy was also compared to mass spectrometry, where both metabonomics techniques have previously shown to be appropriate for biofluid analysis in other applications. Additionally, potential future directions for psychedelic research were identified as real-time NMR, in vivo1H nuclear magnetic resonance spectroscopy (MRS) and 1H NMR studies of the gut microbiome. Further psychedelic studies need to be conducted that incorporate the use of 1H NMR spectroscopy in the analysis of metabolites both in the peripheral biofluids and in vivo to determine whether it will be an effective future approach for clinical and naturalistic research. more...
- Published
- 2021
- Full Text
- View/download PDF
25. Evolution of Serum Acute-Phase Glycoproteins Assessed by 1H-NMR in HIV Elite Controllers
- Author
-
Ana-Irene Malo, Joaquim Peraire, Ezequiel Ruiz-Mateos, Jenifer Masip, Núria Amigó, José Alcamí, Santiago Moreno, Josefa Girona, Graciano García-Pardo, Rosaura Reig, Francesc Vidal, Antoni Castro, Lluís Masana, and Anna Rull more...
- Subjects
elite controllers ,HIV ,inflammation ,acute-phase glycoproteins ,proton nuclear magnetic resonance ,Immunologic diseases. Allergy ,RC581-607 - Abstract
Elite controllers (ECs) are an exceptional group of people living with HIV (PLWH) who maintain undetectable viral loads (VLs) despite not being on antiretroviral therapy (ART). However, this phenotype is heterogeneous, with some of these subjects losing virological control over time. In this longitudinal retrospective study, serum acute-phase glycoprotein profile assessed by proton nuclear magnetic resonance (1H-NMR) was determined in 11 transient controllers (TCs) who spontaneously lost virological control and 11 persistent controllers (PCs) who persistently maintained virological control over time. Both PCs and TCs showed similar acute-phase glycoprotein profiles, even when TCs lost the virological control (GlycB, p = 0.824 and GlycA, p = 0.710), and the serum acute-phase glycoprotein signature in PCs did not differ from that in HIV-negative subjects (GlycB, p = 0.151 and GlycA, p = 0.243). Differences in serum glycoproteins A and B were significant only in ECs compared to HIV-typical progressors (TPs) with < 100 CD4+ T-cells (p < 0.001). 1H-NMR acute-phase glycoprotein profile does not distinguish TCs form PCs before the loss of viral control. ECs maintain a low-grade inflammatory state compared to TPs. PCs revealed a closer serum signature to HIV-negative subjects, reaffirming this phenotype as a closer model of functional control of HIV. more...
- Published
- 2021
- Full Text
- View/download PDF
26. Evolution of Serum Acute-Phase Glycoproteins Assessed by 1H-NMR in HIV Elite Controllers.
- Author
-
Malo, Ana-Irene, Peraire, Joaquim, Ruiz-Mateos, Ezequiel, Masip, Jenifer, Amigó, Núria, Alcamí, José, Moreno, Santiago, Girona, Josefa, García-Pardo, Graciano, Reig, Rosaura, Vidal, Francesc, Castro, Antoni, Masana, Lluís, and Rull, Anna more...
- Subjects
PROTON magnetic resonance ,GLYCOPROTEINS ,NUCLEAR magnetic resonance ,HIV-positive persons ,HIV - Abstract
Elite controllers (ECs) are an exceptional group of people living with HIV (PLWH) who maintain undetectable viral loads (VLs) despite not being on antiretroviral therapy (ART). However, this phenotype is heterogeneous, with some of these subjects losing virological control over time. In this longitudinal retrospective study, serum acute-phase glycoprotein profile assessed by proton nuclear magnetic resonance (
1 H-NMR) was determined in 11 transient controllers (TCs) who spontaneously lost virological control and 11 persistent controllers (PCs) who persistently maintained virological control over time. Both PCs and TCs showed similar acute-phase glycoprotein profiles, even when TCs lost the virological control (GlycB, p = 0.824 and GlycA, p = 0.710), and the serum acute-phase glycoprotein signature in PCs did not differ from that in HIV-negative subjects (GlycB, p = 0.151 and GlycA, p = 0.243). Differences in serum glycoproteins A and B were significant only in ECs compared to HIV-typical progressors (TPs) with < 100 CD4+ T-cells (p < 0.001).1 H-NMR acute-phase glycoprotein profile does not distinguish TCs form PCs before the loss of viral control. ECs maintain a low-grade inflammatory state compared to TPs. PCs revealed a closer serum signature to HIV-negative subjects, reaffirming this phenotype as a closer model of functional control of HIV. [ABSTRACT FROM AUTHOR] more...- Published
- 2021
- Full Text
- View/download PDF
27. 'Real-World' Evaluation of Lipid Oxidation Products and Trace Metals in French Fries From Two Chain Fast-Food Restaurants
- Author
-
Adam Le Gresley, Gilbert Ampem, Simon De Mars, Martin Grootveld, and Declan P. Naughton
- Subjects
aldehydes ,legislated metals ,lipid oxidation products ,French fries ,proton nuclear magnetic resonance ,fast-food restaurants ,Nutrition. Foods and food supply ,TX341-641 - Abstract
Differences in lipid oxidation products (LOPs) and trace metal concentrations of French fry samples found between two global chain fast-food restaurants in the UK were investigated using high-resolution proton nuclear magnetic resonance (1H NMR) and inductively coupled plasma-optical emission spectrometry (ICP-OES) analyses, respectively, of extracts derived therefrom. Over the course of 3 days and 3 different diurnal time periods, samples of French fries (FFs) were analyzed, and comparisons of two different oil extraction methods were undertaken for the two restaurants involved. The magnitude of concentrations of LOPs extracted from FFs is discussed. Significant differences between 6/7 aldehyde classifications, and aluminum, manganese, vanadium, lead, iron, copper and nickel levels between samples from the two restaurants are also reported. Redox-active transition and further trace metal concentrations inversely correlated with FF oil sample LOP contents; this suggested an antioxidant rather than a pro-oxidant role for them. more...
- Published
- 2021
- Full Text
- View/download PDF
28. Individual and Joint Effect of Alpha-Tocopherol and Hydroxytyrosol Acetate on the Oxidation of Sunflower Oil Submitted to Oxidative Conditions: A Study by Proton Nuclear Magnetic Resonance
- Author
-
Sofía del Caño-Ochoa, Ainhoa Ruiz-Aracama, and María D. Guillén
- Subjects
polyunsaturated edible oil ,alpha-tocopherol ,hydroxytyrosol acetate ,binary mixtures and interactions ,accelerated storage conditions ,proton nuclear magnetic resonance ,Therapeutics. Pharmacology ,RM1-950 - Abstract
This study tackles the individual and joint effect of alpha-tocopherol and hydroxytyrosol acetate on the oxidation of sunflower oil submitted to accelerated storage conditions at intermediate temperature, in order to deepen the understanding of antioxidant–prooxidant behaviour. This was accomplished by 1H Nuclear Magnetic Resonance. For this purpose, the evolution of the degradation of both the main components of the oil and the aforementioned added compounds was monitored by this technique throughout the storage time. Furthermore, the formation of a very large number of oxylipins and the evolution of their concentration up to a very advanced stage of oil oxidation, as well as the occurrence of lipolysis, were also simultaneously studied. The results obtained show very clearly and thoroughly that in the oxidation process of the oil enriched in binary mixtures, interactions occur between alpha-tocopherol and hydroxytyrosol acetate that notably reduce the antioxidant effect of the latter compound with the corresponding negative consequences that this entails. The methodology used here has proved to be very efficient to evaluate the antioxidant power of mixtures of compounds. more...
- Published
- 2022
- Full Text
- View/download PDF
29. Serum choline in extremely preterm infants declines with increasing parenteral nutrition.
- Author
-
Nilsson, Anders K., Pedersen, Anders, Malmodin, Daniel, Lund, Anna-My, Hellgren, Gunnel, Löfqvist, Chatarina, Pupp, Ingrid Hansen, and Hellström, Ann
- Subjects
- *
BETAINE , *CLINICAL trials , *INFANTS , *NUTRITIONAL requirements , *METHIONINE , *NUCLEAR magnetic resonance spectroscopy , *CHOLINE , *DESCRIPTIVE statistics , *PARENTERAL feeding , *LONGITUDINAL method - Abstract
Purpose: Choline is an essential nutrient for fetal and infant growth and development. Parenteral nutrition used in neonatal care lack free choline but contain small amounts of lipid-bound choline in the form of phosphatidylcholine (PC). Here, we examined the longitudinal development of serum free choline and metabolically related compounds betaine and methionine in extremely preterm infants and how the concentrations were affected by the proportion of parenteral fluids the infants received during the first 28 postnatal days (PNDs). Methods: This prospective study included 87 infants born at gestational age (GA) < 28 weeks. Infant serum samples were collected PND 1, 7, 14, and 28, and at postmenstrual age (PMA) 32, 36, and 40 weeks. The serum concentrations of free choline, betaine, and methionine were determined by 1H NMR spectroscopy. Results: The median (25th–75th percentile) serum concentrations of free choline, betaine, and methionine were 33.7 (26.2–41.2), 71.2 (53.2–100.8), and 25.6 (16.4–35.3) µM, respectively, at PND 1. The choline concentration decreased rapidly between PND one and PND seven [18.4 (14.1–26.4) µM], and then increased over the next 90 days, though never reaching PND one levels. There was a negative correlation between a high intake of parenteral fluids and serum-free choline. Conclusion: Circulating free choline in extremely preterm infants is negatively affected by the proportion of parenteral fluids administered. Trial registration: ClinicalTrials.gov Identifier NCT02760472, April 29, 2016, retrospectively registered. [ABSTRACT FROM AUTHOR] more...
- Published
- 2021
- Full Text
- View/download PDF
30. Investigation of p-chloroaniline formation in the reactions between different endodontic irrigants
- Author
-
Bjelović Ljiljana Z., Glišić Biljana Đ., Živković Marija D., and Kanjevac Tatjana V.
- Subjects
p-Chloroaniline ,Infrared spectroscopy ,Irrigants ,Proton nuclear magnetic resonance ,Thin-layer chromatography ,Science - Abstract
The aim of this study was to determine whether p-chloroaniline (PCA) is formed in the reactions of sodium hypochlorite (NaOCl) with final rinse chlorhexidine (CHX), QMix (combination of ethylenediaminetetraacetic acid (EDTA), CHX and detergent) and EDTA/CHX solutions by thin-layer chromatography (TLC), proton nuclear magnetic resonance (1H NMR) and infrared (IR) spectroscopy. Commercially available 5.25% NaOCl solution was mixed with 2% CHX and QMix in 1:1 (v/v) ratio at room temperature. Furthermore, 2% CHX was associated with 17% EDTA under the same experimental conditions. The obtained solutions were evaluated qualitatively for color changing, precipitate and/or bubble formation and analyzed by TLC chromatography. The association products were investigated by spectroscopic (1H NMR and IR) methods in order to determine whether they contain PCA. It was found that interactions between NaOCl/CHX and CHX/EDTA led to forming of brown and white precipitate. When NaOCl was mixed with QMix, an orange-brown precipitate was formed. PCA was not detected as a product of the reactions between NaOCl and final rinse solutions of CHX, QMix and EDTA/CHX association. more...
- Published
- 2019
31. The application of qNMR for the determination of rosuvastatin in tablet form.
- Author
-
DİKMEN, Gökhan and USLU, Okan
- Subjects
- *
HIGH performance liquid chromatography , *ROSUVASTATIN , *NUCLEAR magnetic resonance , *PROTON magnetic resonance - Abstract
In this study, quantative nuclear magnetic resonance (qNMR) method was used to determine the content of rosuvastatin in tablet. Linearity, range, limit of detection (LOD), limit of quantification (LOQ), accuracy, and precision were determined in validation study of rosuvastatin. Furthermore, validation study of rosuvastatin was performed with high performance liquid chromatography (HPLC). Uncertainties of qNMR and HPLC methods were determined using per EURACHEM/CITAC Guide CG 4 (3th edition), quantifying uncertainty in analytical measurement. qNMR and HPLC methods were linear in the ranges of 0.10 - 5.00 mg/mL and 0.001 - 0.0995 mg/mL, respectively and these lineraties indicate very good linearity performance with regression coefficients (R2 value) above > 0.99. Moreover, LOD and LOQ values using qNMR method were observed as 0.25 mg/mL and 0.80 mg/mL, respectively. These values using HPLC method were found as 0.00051 µg/mL and 0.001695 µg/mL, respectively. The strengths and weaknesses of qNMR method and HPLC method were determined with spectral emphasis on the role of identical reference standards in qualitive and quantitative analyses. It was found that qNMR method is simple, efficient, reliable, and accurate method. Moreover, qNMR method is an easy, practical, and useful method for the validation and optimization of rosuvastatin in the tablet. [ABSTRACT FROM AUTHOR] more...
- Published
- 2021
- Full Text
- View/download PDF
32. Development of a hand-held magnetic resonance sensor for the nondestructive quantification of fat and lean meat of fresh tuna.
- Author
-
Nakashima, Yoshito
- Subjects
MAGNETIC resonance ,PROTON magnetic resonance ,RADIO frequency ,MAGNETIC circuits ,MEAT - Abstract
For the in-situ nondestructive fat quantification of fresh tuna meat, an original lightweight (5.7 kg) hand-held sensor that consists of a planar radio-frequency coil and a single-sided magnetic circuit was developed as a subunit of a time-domain proton magnetic resonance (MR) scanner system. The investigation depth of the sensor unit is 12 mm, which is sufficient to probe the meat section beneath thick skin with scales and the underlying subcutaneous fat layer of large fish such as tuna. The scanner was successfully applied in a laboratory to a fillet of a bluefin tuna (Thunnus thynnus) to measure meat sections 12 mm beneath the skin. The required measurement time was 100 s for each section. The results of MR scan at 11 locations on the fillet were compared with those of conventional destructive food analysis. Reasonable agreement with an error (root-mean-square residual) of as small as 1.8 wt% was obtained for fat quantification. The time-domain MR relaxometry for the same tuna fillet also allowed lean meat quantification with a small root-mean-square residual of 6.7 wt%. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
33. Methanolysis and Hydrolysis Studies of Bimetallic Systems: Ba{Ti (OPri)6, and Ba{Ti2(OPri)9}2.
- Author
-
OLA, SARASWATI KUMARI, DHAYAL, VEENA, and RAI, JAYA
- Subjects
- *
METHANOLYSIS , *ALKALINE earth metals , *BARIUM , *HYDROLYSIS , *PROTON magnetic resonance , *TRANSITION metals , *NUCLEAR magnetic resonance - Abstract
Since Ba-Ti systems are often used as precursors for ceramics and superconducting systems, it was thought that study of the methanolysis and hydrolysis reactions of such systems would be beneficial. This paper includes the study of hydrolysis and methanolysis of a bimetallic system having an alkaline earth metal (barium) and a transition metal (titanium), Ba{Ti (OPri)6, and Ba{Ti2(OPri)9}2. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
34. Methanolysis and Hydrolysis Studies of Bimetallic Systems: Ba{Ti (OPri)6, and Ba{Ti2(OPri)9}2.
- Author
-
OLA, SARASWATI KUMARI, DHAYAL, VEENA, and RAI, JAYA
- Subjects
METHANOLYSIS ,ALKALINE earth metals ,BARIUM ,HYDROLYSIS ,PROTON magnetic resonance ,TRANSITION metals ,NUCLEAR magnetic resonance - Abstract
Since Ba-Ti systems are often used as precursors for ceramics and superconducting systems, it was thought that study of the methanolysis and hydrolysis reactions of such systems would be beneficial. This paper includes the study of hydrolysis and methanolysis of a bimetallic system having an alkaline earth metal (barium) and a transition metal (titanium), Ba{Ti (OPr
i )6 , and Ba{Ti2 (OPri )9 }2 . [ABSTRACT FROM AUTHOR] more...- Published
- 2020
- Full Text
- View/download PDF
35. Nuclear magnetic resonance and surface-assisted laser desorption/ionization mass spectrometry-based serum metabolomics of kidney cancer.
- Author
-
Nizioł, Joanna, Ossoliński, Krzysztof, Tripet, Brian P., Copié, Valérie, Arendowski, Adrian, and Ruman, Tomasz
- Subjects
- *
MATRIX-assisted laser desorption-ionization , *RENAL cancer , *NUCLEAR magnetic resonance , *NUCLEAR magnetic resonance spectroscopy , *PROTON magnetic resonance spectroscopy , *METABOLOMICS - Abstract
Kidney cancer is one of the most frequently diagnosed and the most lethal urinary cancer. Despite all the efforts made, no serum-specific biomarker is currently used in the clinical management of patients with this tumor. In this study, comprehensive high-resolution proton nuclear magnetic resonance spectroscopy (1H NMR) and silver-109 nanoparticle-enhanced steel target laser desorption/ionization mass spectrometry (109AgNPET LDI MS) approaches were conducted, in conjunction with multivariate data analysis, to discriminate the global serum metabolic profiles of kidney cancer (n = 50) and healthy volunteers (n = 49). Eight potential biomarkers have been identified using 1H NMR metabolomics and nine mass spectral features which differed significantly (p < 0.05) between kidney cancer patients and healthy volunteers, as observed by LDI MS. A partial least squares discriminant analysis (OPLS-DA) model generated from metabolic profiles obtained by both analytical approaches could robustly discriminate normal from cancerous samples (Q2 > 0.7), area under the receiver operative characteristic curve (ROC) AUC > 0.96. Compared with healthy human serum, kidney cancer serum had higher levels of glucose and lower levels of choline, glycerol, glycine, lactate, leucine, myo-inositol, and 1-methylhistidine. Analysis of differences between these metabolite levels in patients with different types and grades of kidney cancer was undertaken. Our results, derived from the combination of LDI MS and 1H NMR methods, suggest that serum biomarkers identified herein appeared to have great potential for use in clinical prognosis and/or diagnosis of kidney cancer. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
36. Synthesis, radiolabelling, and biological assessment of folic acid‐conjugated G‐3 99m Tc‐dendrimer as the breast cancer molecular imaging agent.
- Author
-
Zamani, Saedeh, Shafeie‐Ardestani, Mehdi, Bitarafan‐Rajabi, Ahmad, Khalaj, Ali, and Sabzevari, Omid
- Abstract
Hence, in this study, the authors aimed to develop a dendrimer‐based imaging agent comprised of poly(ethylene glycol) (PEG)‐citrate, technetium‐99 m (99m Tc), and folic acid. The dendrimer‐G3 was synthesised and conjugated with folic acid, which confirmed by Fourier transform infrared, proton nuclear magnetic resonance, dynamic light scattering, and transition electron microscopy. 2,3‐bis‐(2‐methoxy‐4‐nitro‐5‐sulfophenyl)‐2H‐Tetrazolium‐5‐Carboxanilide cytotoxicity assay kit was used to measure the cellular toxicity of dendrimer. Imaging and biodistribution studies were conducted on the mice bearing tumour. The results showed that the fabricated dendrimer‐G3 has a size of 90 ± 3 nm, which was increased to 100 ± 4 nm following the conjugation with folic acid. The radiostablity investigation showed that the fabricated dendrimers were stable in the human serum at various times. Toxicity assessment confirmed no cellular toxicity against HEK‐293 cells at 0.25, 0.5, 1, 2, 4, and 8 mg/μl concentrations. The in vivo studies demonstrated that the synthesised dendrimers were able to provide a bright SPECT image applicable for tumour detection. In conclusion, the authors' study documented the positive aspects of PEG‐citrate dendrimer conjugated with folic acid as the SPECT contrast agent for breast cancer detection. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
37. Polyacrylamide–punicic acid conjugate‐based micelles for flutamide delivery in PC3 cells of prostate cancer: synthesis, characterisation and cytotoxicity studies.
- Author
-
Mirsafaei, Razieh and Varshosaz, Jaleh
- Abstract
The aim of the present study was to synthesize a novel biopolymeric micelle based on punicic acid (PA) and polyacrylamide (PAM) for carrying chemotherapeutic drugs used in prostate cancer treatment. A polymer composite micelle was prepared by chemical conjugation between PAM and PA. The micelles were prepared by self‐assembly via film casting followed by ultrasonication method. The successful production of PAMPA copolymeric micelles was confirmed using FTIR, 1H‐NMR, and TEM. Then, flutamide was loaded in the designed nanomicelles and they were characterized. The cell cytotoxicity of the micelles was studied on PC3 cells of prostate cancer. The prepared nanomicelles showed the particle size of 88 nm, PDI of 0.246, zeta potential of −9 mV, drug loading efficiency of 94.5%, drug release of 85.6% until 10 hours in pH 7.4 and CMC of 74.13 μg/ml. The cell viability in blank nanocarriers was about 70% in PC3 cells at concentration of 25 μM. More significant cytotoxic effects were seen for flutamide loaded micelles at this concentration compared to the free drug. The results suggest that the PAMPA co‐polymeric nanomicelles can be utilized as an effective carrier to enhance the cytotoxic effects of flutamide in prostate cancer. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
38. Heparin‐induced lipoprotein precipitation apheresis in dyslipidemic patients: A multiparametric assessment.
- Author
-
Merolle, Lucia, Marraccini, Chiara, Latorrata, Alessia, Quartieri, Eleonora, Farioli, Daniela, Scarano, Luca, Fasano, Tommaso, Bergamini, Stefania, Bellei, Elisa, Monari, Emanuela, Tomasi, Aldo, Di Bartolomeo, Erminia, Baricchi, Roberto, and Pertinhez, Thelma A. more...
- Subjects
APOLIPOPROTEIN B ,METEOROLOGICAL precipitation ,PROTON magnetic resonance ,PLASMA density ,METABOLITES ,FAMILIAL hypercholesterolemia - Abstract
Low‐density lipoprotein (LDL) apheresis (LA) selectively eliminates lipoproteins containing apolipoprotein B 100 (ApoB100) on patients affected by severe dyslipidemia. In addition to lowering lipids, LA is thought to exert pleiotropic effects altering a number of other compounds associated with atherosclerosis, such as pro‐ and anti‐inflammatory cytokines or pro‐thrombotic factors. More knowledge needs to be gathered on the effects of LA, and particularly on its ability to modify blood components other than lipids. We performed a multiparametric assessment of the inflammatory, metabolic and proteomic profile changes after Heparin‐induced lipoprotein precipitation (H.E.L.P.) apheresis on serum samples from nine dyslipidemic patients evaluating cholesterol and lipoproteins, plasma viscosity and density, metabolites, cytokines, PCSK9 levels and other proteins selectively removed after the treatment. Our results show that H.E.L.P. apheresis is effective in lowering lipoprotein and PCSK9 levels. Although not significantly, complement and inflammation‐related proteins are also affected, indicating a possible transient epiphenomenon induced by the extracorporeal procedure. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
- Full Text
- View/download PDF
39. Synthesis and characterization of 3,3’-(disulfanediylbis(methylene))bis(1-(4-bromophenyl)-4-(4-chlorophenyl)azetidin-2-one).
- Author
-
Flayyih, Ali Hussein
- Subjects
- *
PROTON magnetic resonance , *METHYLENE group , *SCHIFF bases , *NUCLEAR magnetic resonance - Abstract
Aim: This study includes the synthesis and diagnosis of the 3,3’-(disulfanediylbis (methylene))bis(1-(4-bromophenyl)-4-(4-chlorophenyl)azetidin-2-one)2d. Methods: This compound was ready through the reaction of the 3,3’-disulfanediyldipropionic acid with the appropriate 4-bromo-N-(4-chlorobenzylidene) aniline 1d. Results: The structure of those azetidin-2-one was diagnosed on the premise of the spectral data: Infrared (IR); proton nuclear magnetic resonance (¹H-NMR); carbon-13 NMR (13C-NMR); and mass. Conclusion: This work approved the synthesis of 3,3’-(disulfanediylbis(methylene))bis(1-(4-bromophenyl)-4-(4-chlorophenyl)azetidin-2-one) compound from 3,3’-disulfanediyldipropionic acid and appropriate Schiff’s bases using POCl3 and Et3N in CH2Cl2 under N2 atmosphere and characterization of these compound by IR, mass, (2D-NMR experiments) ¹H-NMR, and 13C-NMR spectra. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
40. Metabolomics applied to proton nuclear magnetic resonance profile for the identification of seven floral origin of French honeys.
- Author
-
GUYON, FRANCOIS, CHAVEZ DA COSTA, ELODIE, MAURIN, ARNAUD, GAILLARD, LAETITIA, ANDURÉ, MURIEL L., and GOUGEON, LOUIS
- Subjects
- *
PROTON magnetic resonance , *NUCLEAR magnetic resonance , *LAVENDERS , *HONEY , *CHESTNUT , *OXALATES , *PALYNOLOGY - Abstract
A sample preparation protocol was developed for honey profiling by proton nuclear magnetic resonance (1H NMR). The honey samples (0.5 g each) were solubilized in 5 ml of oxalate buffer (0.25 mol·l-1, pH 4.3). This solution (1 ml) supplemented with a lock solution (D2O, 0.1 ml) containing 3-(trimethylsilyl) propionic acid D4 sodium salt was used for analysis. The novelty of the proposed method consists in no need for subsequent pH adjustment. The developed method was used for the analysis of 212 French honeys split in seven floral origins (acacia, chestnut tree, scrub, colza, lavender, sunflower and honeydew). A soft independent modelling of class analogy (SIMCA) data treatment was applied to the 1H NMR spectra after a range scale pre-processing. The obtained class distance indicated successful discrimination between the seven floral origins, confirmed by a 100% correct classification when a honey test set was used. The model was applied to commercial mono-floral honeys and the results were fully corroborated by sensory and pollen analyses. [ABSTRACT FROM AUTHOR] more...
- Published
- 2020
41. Impact of Global Climate Change on the European Barley Market Requires Novel Multi-Method Approaches to Preserve Crop Quality and Authenticity
- Author
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Stefan G. Bindereif, Felix Rüll, Peter Kolb, Lucas Köberle, Holger Willms, Simon Steidele, Stephan Schwarzinger, and Gerhard Gebauer
- Subjects
barley ,stable isotopes ,proton nuclear magnetic resonance ,Fourier transform near-infrared spectroscopy ,drought ,climate change ,Chemical technology ,TP1-1185 - Abstract
Most recently in 2018 and 2019, large parts of Europe were affected by periods of massive drought. Resulting losses in cereal yield pose a major risk to the global supply of barley, as more than 60% of global production is based in Europe. Despite the arising price fluctuations on the cereal market, authenticity of the crop must be ensured, which includes correct declaration of harvest years. Here, we show a novel approach that allows such differentiation for spring barley samples, which takes advantage of the chemical changes caused by the extreme drought. Samples from 2018 were successfully differentiated from those of 2017 by analysis of changes in near-infrared spectra, enrichment in the isotope 13C, and strong accumulation of the plant-physiological marker betaine. We demonstrate that through consideration of multiple modern analysis techniques, not only can fraudulent labelling be prevented, but indispensable knowledge on the drought tolerance of crops can be obtained. more...
- Published
- 2021
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42. Comparative NMR Metabolomics Profiling between Mexican Ancestral & Artisanal Mezcals and Industrialized Wines to Discriminate Geographical Origins, Agave Species or Grape Varieties and Manufacturing Processes as a Function of Their Quality Attributes
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Rosa López-Aguilar, Holber Zuleta-Prada, Arturo Hernández-Montes, and José Enrique Herbert-Pucheta
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ancestral and artisanal mezcals ,industrialized wines ,proton nuclear magnetic resonance ,supervised orthogonal projections to latent structures discriminant analysis ,Chemical technology ,TP1-1185 - Abstract
The oenological industry has benefited from the use of Nuclear Magnetic Resonance (1H-NMR) spectroscopy in combination with Multivariate Statistical Analysis (MSA) as a foodomics tool for retrieving discriminant features related to geographical origins, grape varieties, and further quality controls. Said omics methods have gained such attention that Intergovernmental Organizations and Control Agencies are currently recommending their massive use amongst countries as quality compliances for tracking standard and degradation parameters, fermentation products, polyphenols, amino acids, geographical origins, appellations d’origine contrôlée and type of monovarietal strains in wines. This study presents, for the first time, a 1H-NMR/MSA profiling of industrial Mexican wines, finding excellent statistical features to discriminate between oenological regions and grape varieties with supervised Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA). In a comparative way, it is applied with the 1H-NMR/OPLS-DA workflow for the first time in ancestral and artisanal Mexican mezcals with promising results to discriminate between regions, agave species and manufacturing processes. The central aim of this comparative study is to extrapolate the know-how of wine-omics into the non-professionalized mezcal industry for establishing the NMR acquisition, preprocessing and statistical analysis basis to implement novel, non-invasive and highly reproducible regional, agave species and manufacturing-quality controls. more...
- Published
- 2021
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43. A Preliminary Urinary Metabolomics Study of Sprague-Dawley Rats after Short-term Ketamine Administration by Proton Nuclear Magnetic Resonance Spectroscopy
- Author
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Xiang Lu, Qunxing Tang, Yi Ye, Run Guo, Fan Chen, Xinhua Dai, Youyi Yan, and Linchuan Liao
- Subjects
Biomarker ,ketamine ,metabolomics ,proton nuclear magnetic resonance ,Public aspects of medicine ,RA1-1270 - Abstract
Drug abuse has become a global problem. The mass spectrometry-based metabolic consequences of ketamine administration in anesthesia and therapy have been well studied, but to the best of our knowledge, metabolomic studies of ketamine abuse based on nuclear magnetic resonance (NMR) spectroscopy are still lacking. In this study, twenty Sprague–Dawley rats were randomly assigned into two groups: a control group (n = 10) and a ketamine group (n = 10). The animals in the ketamine group received intraperitoneal injections of ketamine twice daily at 12-h intervals at progressively increasing doses over a period of 9 days, while the control group received an equal volume of saline. The urine samples were collected for 24 h at days 0, 1, 3, 5, 7, and 9 for the metabolomics study. The metabolic changes in urine after short-term ketamine administration were analyzed by proton NMR coupled with multivariate statistical analysis. The results indicated that short-term ketamine exposure led to significant alterations of the metabolites in the urine of the rats. Specifically, 1,3,7-trimethyluric acid, 1,3-dimethyluric acid, acetoacetic acid, acetylglycine, creatine, sarcosine, dimethylglycine, glycine, and theobromine were significantly increased in the urine. Significant changes were also found in metabolites related to antioxidant and energy metabolism, including acetoacetic acid, succinate, 1,3,7-trimethyluric acid, 1,3-dimethyluric acid, creatine, and taurine. Our findings indicated that short-term ketamine administration leads to disorder of energy metabolism and oxidative stress. In addition, the modified metabolites identified could serve as the new biological markers and potential biological indices reflecting the underlying mechanism of ketamine abuse. more...
- Published
- 2016
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44. Application of a proton quantitative nuclear magnetic resonance spectroscopy method for the determination of actinodaphnine in Illigera aromatica and Illigera henryi.
- Author
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Dong, Jian-Wei, Li, Xue-Jiao, Shi, Jun-You, and Liu, Kai-Quan
- Abstract
Illigera aromatica S. Z. Huang et S. L. Mo and Illigera henryi W. W. Sm., belonging to the genus Illigera (Hernandiaceae), are used as herbal medicines for promoting blood circulation and treating tuberculosis. Actinodaphnine, the major bioactive alkaloid, plays an important role in the quality controls of the herbs. In the present study, a rapid, simple, accurate, and precise proton quantitative nuclear magnetic resonance (
1 H-qNMR) method was developed to determine the content of actinodaphnine in I. aromatica and I. henryi. DMSO-d6 enabled satisfactory separation of the signals to be integrated in1 H NMR spectrum. 1,4-Dinitrobenzene was selected as an internal standard. The limits of determination and quantitation were 0.005 and 0.038 mg/mL, respectively. This work implied that1 H-qNMR represents a feasible alternative to HPLC-based methods for quantitation of actinodaphnine in I. aromatica and I. henryi and is suitable for the quality control of I. aromatica and I. henryi. [ABSTRACT FROM AUTHOR] more...- Published
- 2019
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45. Breastfeeding and Human Lactation.
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Perrella, Sharon and Geddes, Donna
- Subjects
Andean region ,Arachidonic acid ,Breastfeeding ,Cambodia ,Canada ,Docosahexaenoic acid ,Ecuador ,GDM ,HGF ,ICP-OES ,IgA ,Ireland ,N-acylethanolamines ,NMR spectroscopy ,OEA ,PEA ,Quito ,SEA ,TGF-? ,adequate intake ,adipokines ,adiponectin ,anthropometrics ,antibodies ,antimicrobial proteins ,antisecretory factor ,appetite regulation ,attitudes ,babywearing ,barriers ,bioelectrical impedance spectroscopy ,body composition ,bottle ,breast milk ,breastfed infants ,breastfeeding ,breastfeeding support ,breastmilk ,caesarean section ,calculated daily intakes ,candida ,casein ,choline ,chromatography ,co-sleeping ,colostrum ,composition ,cytomegalovirus ,diet ,dietary recommendations ,docosahexaenoic acid ,early life nutrition ,endocannabinoids ,enteral nutrition ,ethnicity ,expressing ,fat synthesis ,fatty acids ,feeding ,feeding cues ,formula supplementation ,galactogogues ,geographical location ,glycerophosphocholine ,growth factors ,human lactation ,human milk ,human milk composition ,immune cells ,immunity ,infant ,infant feeding ,infant growth ,infant health ,infants ,infection ,inflammation ,ion selective electrode ,justification of supplementation ,knowledge ,lactating women ,lactation ,lactoferrin ,leptin ,lipidomics ,lipids ,long-chain polyunsaturated fatty acids ,mass spectrometry ,maternal diet ,maternal distress ,maternal factors ,maternal responsiveness ,maternal wellbeing ,metabolites ,microbiome ,midwifery ,milk cells ,milk composition ,milk intake ,milk metabolites ,milk metabolomics ,milk synthesis ,milk-acquired infections ,mode of delivery ,mother-infant interaction ,mother-infant physical contact ,mothers of preterm infants ,n-6 and n-3 polyunsaturated fatty acid ,nipple shield ,obesity ,omega-3 fatty acids ,omega-6 fatty acids ,partner support ,passive immunity ,paternal role ,peptidomics ,phosphocholine ,plasma zinc ,post-partum distress ,postnatal outcomes ,potassium ,practice ,pregnancy ,premature ,prematurity ,preterm ,preterm infant ,professional support ,protein ,proteolysis ,proton nuclear magnetic resonance ,proximal care ,raw breast milk ,responsive feeding ,sex-specificity ,social support ,sodium ,thyroid ,thyroid antibodies ,thyroxine ,triiodothyronine ,ultrasound skinfolds ,whey ,zinc deficiency ,zinc supplementation - Abstract
Summary: Human lactation has evolved to produce a milk composition that is uniquely-designed for the human infant. Not only does human milk optimize infant growth and development, it also provides protection from infection and disease. More recently, the importance of human milk and breastfeeding in the programming of infant health has risen to the fore. Anchoring of infant feeding in the developmental origins of health and disease has led to a resurgence of research focused in this area. Milk composition is highly variable both between and within mothers. Indeed the distinct maternal human milk signature, including its own microbiome, is influenced by environmental factors, such as diet, health, body composition and geographic residence. An understanding of these changes will lead to unravelling the adaptation of milk to the environment and its impact on the infant. In terms of the promotion of breastfeeding, health economics and epidemiology is instrumental in shaping public health policy and identifying barriers to breastfeeding. Further, basic research is imperative in order to design evidence-based interventions to improve both breastfeeding duration and women's breastfeeding experience. more...
46. Infrared Spectroscopic Quantification of Methacrylation of Hyaluronic Acid: A Scaffold for Tissue Engineering Applications.
- Author
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Yousefi, Farzad, Kandel, Shital, and Pleshko, Nancy
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- *
INFRARED spectroscopy , *HYALURONIC acid , *TISSUE scaffolds , *DRUG delivery systems , *NUCLEAR magnetic resonance - Abstract
Methacrylated hyaluronic acid (MeHA) has been used extensively in tissue engineering and drug delivery applications. The degree of methacrylation (DM) of HA impacts hydrogel crosslinking, which is of pivotal importance for cell interactions. The methacrylation reaction occurs over several hours, and DM is currently assessed post reaction and after dialysis of the solution, using nuclear magnetic resonance (1H NMR) data. Thus, there is little control over exact DM in a specific reaction. Here, infrared (IR) spectroscopy in attenuated total reflection (ATR) mode was investigated as an alternate modality for assessment of the DM of HA hydrogels, including during the reaction progression. Attenuated total reflection is a low-cost technique that is widely available in research and industry labs that can be used online during the reaction process. Strong correlations were achieved with IR-derived peak heights from dialyzed and lyophilized samples at 1708 cm−1 (from the methacrylic ester carbonyl vibration), and 1H NMR values (R = 0.92, P = 6.56E-11). Additional IR peaks of importance were identified using principal component analysis and resulted in significant correlations with the 1H NMR DM parameter: 1454 cm−1 (R = 0.85, P = 2.81E-8), 1300 cm−1 (R = 0.95, P = 4.50E-14), 950 (R = 0.85, P = 3.55E-8), 856 cm−1 (R = 0.94, P = 1.20E-12), and 809 cm−1 (R = 0.93, P = 3.54E-12). A multiple linear regression model to predict 1H NMR-derived DM using the 1708, 1300, and 1200 cm−1 peak heights as independent variables resulted in prediction with an error of 3.2% using dialyzed and lyophilized samples (P < 0.001). Additionally, a multilinear regression model to predict the DM in undialyzed liquid MeHA samples obtained during the reaction process using similar peak height positions as independent variables resulted in a prediction error of 0.81% (P < 0.05). Thus, IR spectroscopy can be utilized as an alternate modality to 1H NMR for quantification of the DM of MeHA while sampling either on-line during the methacrylation reaction as well as in post-lyophilized products. This could greatly simplify workflow for tissue engineering and other applications. [ABSTRACT FROM AUTHOR] more...
- Published
- 2018
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47. Contact allergy to electrocardiogram electrodes caused by acrylic acid without sensitivity to methacrylates and ethyl cyanoacrylate.
- Author
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Foti, Caterina, Lopalco, Antonio, Stingeni, Luca, Hansel, Katharina, Lopedota, Angela, Denora, Nunzio, and Romita, Paolo
- Subjects
- *
ELECTROCARDIOGRAPHY , *ACRYLIC acid , *METHACRYLATES , *HYDROGELS - Abstract
The article presents a case study of a 72-year-old non-atopic woman showing contact allergy to electrocardiogram electrodes caused by acrylic acid without sensitivity to methacrylates and ethyl cyanoacrylate. The amounts of acrylic acid were determined to be 290-fold and 72-fold in the hydrogel and the outer annular non-adhesive/adhesive of the foam. The study led to the conclusion that acrylic acid does not always cross-react with the methacrylates and ethyl cyanoacrylate more...
- Published
- 2018
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48. Application of methyl itaconate–anthracene adducts (MIAs) in configuration assignment of chiral primary amines by means of 1H NMR.
- Author
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Rithchumpon, Puracheth, Khamto, Nopawit, Kongsak, Chawanakorn, Saema, Wichai, Duangdesh, Sarocha, Choommongkol, Vachira, and Meepowpan, Puttinan
- Subjects
- *
MOLECULAR conformation , *AMINES , *PROTON magnetic resonance , *AMIDES , *DNA adducts - Abstract
Methyl itaconate–anthracene adducts (MIAs) were previously introduced as chiral derivatizing agents (CDAs) for the determination of chiral secondary alcohols. In this study, they were further employed with chiral primary amines to assign their absolute configuration. Each chiral amine compound was linked to the (R)- and (S)-MIAs through amidation to obtain diastereomeric amides in moderate yield. The modified Mosher's method was applied, where the difference in chemical shift (Δ δ SR = δ H S −MIA-amide – δ H R −MIA-amide) values of each substituent of the chiral amine adducts was utilized to validate the capability of MIAs as CDAs. Finally, the proposed model was successfully achieved, and the MIAs were proven effective for the determination of the absolute configuration of chiral amines. [Display omitted] • Methyl itaconate-anthracene adducts were employed to assign the absolute configuration of chiral primary amines. • The DFT study was conducted to confirm the molecular conformations of the derived chiral MIA-Amides. • The proposed model was validated using various chiral primary amines. [ABSTRACT FROM AUTHOR] more...
- Published
- 2023
- Full Text
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49. Specific Patterns of Spinal Metabolite Ratio Underlying α-Me-5-HT-evoked Pruritus Compared with Compound 48/80 Based on Proton Nuclear Magnetic Resonance Spectroscopy
- Author
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Chen, Ying-le, He, Zhi-gang, Wang, Qian, Xiang, Hong-bing, Fan, Li, and Xiong, Jun
- Published
- 2020
- Full Text
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50. Structural changes of fibrinogen molecule mediated by the N-homocysteinylation reaction.
- Author
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Genoud, Valeria, Quintana, Paula G., Gionco, Silvana, Baldessari, Alicia, and Quintana, Irene
- Abstract
Homocysteine and its cyclic ester homocysteine thiolactone (HTL) have been involved in the detrimental consequences associated to hyperhomocysteinemia, an independent risk factor for vascular diseases. HTL reacts with protein lysine residues in a process named N-homocysteinylation. The aim of our study was to evaluate the in vitro effects of HTL on the fibrinogen through electrophoretic methods. Fibrinogen was incubated with HTL at different molar ratios and structural changes of the protein were assessed by polyacrylamide gel electrophoresis (PAGE), capillary zone electrophoresis (CZE) and capillary isoelectric focusing (CIEF). Ellman´s reaction, CZE and proton nuclear magnetic resonance (H NMR) were used to evaluate HTL hydrolyisis. On denaturing PAGE numerous bands were observed, being the three lower bands identical to those obtained by treatment with 2-mercaptoethanol. This effect was also detected by CZE. The results show a reducing action of HTL on the fibrinogen molecule, probably attributed to the sulfhydryl groups generated by N-homocysteinylation and/or by the ones present in the homocysteine molecule yielded by HTL hydrolysis. In order to distinguish between these two options, HTL stability was evaluated at different pH and incubation times. The results showed minimum HTL hydrolysis in our experimental conditions. We postulate that the reducing effect observed would be mainly associated to the new sulfhydryl groups generated by the N-homocysteinylation process. Moreover, a displacement of the HTL-treated fibrinogen isoforms towards more acidic pH values was detected. The structural changes of N-homocysteinylated fibrinogen could be involved in the pathological consequences of hyperhomocysteinemia. [ABSTRACT FROM AUTHOR] more...
- Published
- 2018
- Full Text
- View/download PDF
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