scholarly journals 1H NMR Metabolic Profile to Discriminate Pasture Based Alpine Asiago PDO Cheeses

Animals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 722 ◽  
Author(s):  
Severino Segato ◽  
Augusta Caligiani ◽  
Barbara Contiero ◽  
Gianni Galaverna ◽  
Vittoria Bisutti ◽  
...  
Keyword(s):  
1H Nmr ◽  
Raw Milk ◽  
Water Soluble ◽  
Proton Nuclear Magnetic Resonance ◽  
Feeding System ◽  
System A ◽  
North Eastern ◽  
Dairy Plant ◽  
Validation Procedure ◽  
Upland Pasture

The study was carried out in an alpine area of North-Eastern Italy to assess the reliability of proton nuclear magnetic resonance 1H NMR to fingerprint and discriminate Asiago PDO cheeses processed in the same dairy plant from upland pasture-based milk or from upland hay-based milk. Six experimental types of Asiago cheese were made from raw milk considering 2 cows’ feeding systems (pasture- vs. hay-based milk) and 3 ripening times (2 months, Pressato vs. 4 months, Allevo_4 vs. 6 months, Allevo_6). Samples (n = 55) were submitted to chemical analysis and to 1H NMR coupled with multivariate canonical discriminant analysis. Choline, 2,3-butanediol, lysine, tyrosine, and some signals of sugar-like compounds were suggested as the main water-soluble metabolites useful to discriminate cheese according to cows’ feeding system. A wider pool of polar biomarkers explained the variation due to ripening time. The validation procedure based on a predictive set suggested that 1H NMR based metabolomics was an effective fingerprinting tool to identify pasture-based cheese samples with the shortest ripening period (Pressato). The classification to the actual feeding system of more aged cheese samples was less accurate likely due to their chemical and biochemical changes induced by a prolonged maturation process.

scholarly journals Chemical composition, optical properties, and oxidative potential of water- and methanol-soluble organic compounds emitted from the combustion of biomass materials and coal

2021 ◽  
Author(s):  
Tao Cao ◽  
Meiju Li ◽  
Chunlin Zou ◽  
Xingjun Fan ◽  
Jianzhong Song ◽  
...  
Keyword(s):  
Optical Properties ◽  
Organic Compounds ◽  
1H Nmr ◽  
Water Soluble ◽  
Proton Nuclear Magnetic Resonance ◽  
Resonance Spectroscopy ◽  
Oxidative Potential ◽  
Strong Light ◽  
Chemical Structures ◽  
Biomass Materials

Abstract. Biomass burning (BB) and coal combustion (CC) are important sources of brown carbon (BrC) in ambient aerosols. In this study, six biomass materials and five types of coal were combusted to generate fine smoke particles. The BrC fractions, including water-soluble organic compounds (WSOC), humic-like substances (HULIS), and methanol-soluble organic compounds (MSOC), were subsequently fractionated and their optical properties and chemical structures were then comprehensively investigated using UV-visible spectroscopy, proton nuclear magnetic resonance spectroscopy (1H-NMR), and fluorescence extraction-emission matrix spectroscopy (EEM) combined with parallel factor analysis (PARAFAC). In addition, the oxidative potential (OP) of BB and CC BrC was measured with the dithiothreitol (DTT) method. The results showed that WSOC, HULIS, and MSOC accounted for 2.3 %–22 %, 0.5 %–10 %, and 6.4 %–73 % of the total mass of combustion-derived PM2.5, respectively, with MSOC extracting the highest concentrations of organic compounds. The MSOC fractions had the highest light absorption capacity (mass absorption efficiency at 365 nm (MAE365): 1.0–2.7 m2/gC) for both BB and CC smoke, indicating that MSOC contained more of the strong light-absorbing components. Therefore, MSOC may better represent the total BrC than the water-soluble fractions. Some significant differences were observed between the BrC fractions emitted from BB and CC, with more water-soluble BrC fractions with higher MAE365 and lower absorption Ångström exponent values detected in smoke emitted from BB than from CC. The EEM-PARAFAC analysis identified four fluorophores: two protein-like, one humic-like, and one polyphenol-like. The protein-like substance was the dominant component of WSOC (47 %–80 %), HULIS (44 %–87 %), and MSOC (42 %–70 %). The 1H-NMR results suggested that BB BrC contained more oxygenated aliphatic functional groups (H-C-O), whereas CC BrC contained more unsaturated fractions (H-C-C = and Ar-H). The DTT assays indicated that BB BrC generally had a stronger OP (DTTmass, 2.6–85 pmol/min/μg) than CC BrC (DTTmass, 0.4–11 pmol/min/μg), with MSOC having a stronger OP than WSOC and HULIS. Therefore, the BrC fractions from BB had higher OP values than those from CC.

scholarly journals Functional characterization of the water-soluble organic carbon of size-fractionated aerosol in the southern Mississippi Valley

2014 ◽  
Vol 14 (12) ◽  
pp. 6075-6088 ◽  
Author(s):  
M.-C. G. Chalbot ◽  
J. Brown ◽  
P. Chitranshi ◽  
G. Gamboa da Costa ◽  
E. D. Pollock ◽  
...  
Keyword(s):  
Organic Carbon ◽  
1H Nmr ◽  
Biomass Burning ◽  
Organic Aerosol ◽  
Water Soluble ◽  
Particle Mass ◽  
Proton Nuclear Magnetic Resonance ◽  
Relative Distribution ◽  
Water Soluble Organic Carbon ◽  
Soluble Organic Carbon

Abstract. The chemical content of water-soluble organic carbon (WSOC) as a function of particle size was characterized in Little Rock, Arkansas in winter and spring 2013. The objectives of this study were to (i) compare the functional characteristics of coarse, fine and ultrafine WSOC and (ii) reconcile the sources of WSOC for periods when carbonaceous aerosol was the most abundant particulate component. The WSOC accounted for 5% of particle mass for particles with dp > 0.96 μm and 10% of particle mass for particles with dp < 0.96 μm. Non-exchangeable aliphatic (H–C), unsaturated aliphatic (H–C–C=), oxygenated saturated aliphatic (H–C–O), acetalic (O–CH–O) and aromatic (Ar–H) protons were determined by proton nuclear magnetic resonance (1H-NMR). The total non-exchangeable organic hydrogen concentrations varied from 4.1 ± 0.1 nmol m−3 for particles with 1.5 < dp < 3.0 μm to 73.9 ± 12.3 nmol m−3 for particles with dp < 0.49 μm. The molar H / C ratios varied from 0.48 ± 0.05 to 0.92 ± 0.09, which were comparable to those observed for combustion-related organic aerosol. The R–H was the most abundant group, representing about 45% of measured total non-exchangeable organic hydrogen concentrations, followed by H–C–O (27%) and H–C–C= (26%). Levoglucosan, amines, ammonium and methanesulfonate were identified in NMR fingerprints of fine particles. Sucrose, fructose, glucose, formate and acetate were associated with coarse particles. These qualitative differences of 1H-NMR profiles for different particle sizes indicated the possible contribution of biological aerosols and a mixture of aliphatic and oxygenated compounds from biomass burning and traffic exhausts. The concurrent presence of ammonium and amines also suggested the presence of ammonium/aminium nitrate and sulfate secondary aerosol. The size-dependent origin of WSOC was further corroborated by the increasing δ13C abundance from −26.81 ± 0.18‰ for the smallest particles to −25.93 ± 0.31‰ for the largest particles and the relative distribution of the functional groups as compared to those previously observed for marine, biomass burning and secondary organic aerosol. The latter also allowed for the differentiation of urban combustion-related aerosol and biological particles. The five types of organic hydrogen accounted for the majority of WSOC for particles with dp > 3.0 μm and dp < 0.96 μm.

Milk Powder Extraction: Optimization of Conditions for the Water-Soluble Metabolites by Proton Nuclear Magnetic Resonance (1H-NMR)

2021 ◽  
pp. 1-10
Author(s):  
Dan Zhu ◽  
Alan Hayman ◽  
Russell Frew ◽  
Biniam Kebede ◽  
Gang Chen ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
1H Nmr ◽  
Milk Powder ◽  
Water Soluble ◽  
Proton Nuclear Magnetic Resonance ◽  
Extraction Optimization ◽  
Nuclear Magnetic

scholarly journals Chemical composition, optical properties, and oxidative potential of water- and methanol-soluble organic compounds emitted from the combustion of biomass materials and coal

2021 ◽  
Vol 21 (17) ◽  
pp. 13187-13205
Author(s):  
Tao Cao ◽  
Meiju Li ◽  
Chunlin Zou ◽  
Xingjun Fan ◽  
Jianzhong Song ◽  
...  
Keyword(s):  
Optical Properties ◽  
Organic Carbon ◽  
Organic Compounds ◽  
1H Nmr ◽  
Water Soluble ◽  
Proton Nuclear Magnetic Resonance ◽  
Oxidative Potential ◽  
Strong Light ◽  
Soluble Organic Carbon ◽  
Biomass Materials

Abstract. Biomass burning (BB) and coal combustion (CC) are important sources of brown carbon (BrC) in ambient aerosols. In this study, six biomass materials and five types of coal were combusted to generate fine smoke particles. The BrC fractions, including water-soluble organic carbon (WSOC), humic-like substance carbon (HULIS-C), and methanol-soluble organic carbon (MSOC), were subsequently fractionated, and their optical properties and chemical structures were then comprehensively investigated using UV–visible spectroscopy, proton nuclear magnetic resonance spectroscopy (1H NMR), and fluorescence excitation–emission matrix (EEM) spectroscopy combined with parallel factor (PARAFAC) analysis. In addition, the oxidative potential (OP) of BB and CC BrC was measured with the dithiothreitol (DTT) method. The results showed that WSOC, HULIS-C, and MSOC accounted for 2.3 %–22 %, 0.5 %–10 %, and 6.4 %–73 % of the total mass of combustion-derived smoke PM2.5, respectively, with MSOC extracting the highest concentrations of organic compounds. The MSOC fractions had the highest light absorption capacity (mass absorption efficiency at 365 nm (MAE365): 1.0–2.7 m2/gC) for both BB and CC smoke, indicating that MSOC contained more of the strong light-absorbing components. Therefore, MSOC may represent the total BrC better than the water-soluble fractions. Some significant differences were observed between the BrC fractions emitted from BB and CC with more water-soluble BrC fractions with higher MAE365 and lower absorption Ångström exponent values detected in smoke emitted from BB than from CC. EEM-PARAFAC identified four fluorophores: two protein-like, one humic-like, and one polyphenol-like fluorophores. The protein-like substances were the dominant components of WSOC (47 %–80 %), HULIS-C (44 %–87 %), and MSOC (42 %–70 %). The 1H-NMR results suggested that BB BrC contained more oxygenated aliphatic functional groups (H-C-O), whereas CC BrC contained more unsaturated fractions (H-C-C= and Ar−H). The DTT assays indicated that BB BrC generally had a stronger oxidative potential (DTTm, 2.6–85 pmol/min/µg) than CC BrC (DTTm, 0.4–11 pmol/min/µg), with MSOC having a stronger OP than WSOC and HULIS-C. In addition, HULIS-C contributed more than half of the DTT activity of WSOC (63.1 % ± 15.5 %), highlighting that HULIS was a major contributor of reactive oxygen species (ROS) production in WSOC. Furthermore, the principal component analysis and Pearson correlation coefficients indicated that highly oxygenated humic-like fluorophore C4 may be the important DTT active substances in BrC.

scholarly journals Characterizing source fingerprints and ageing processes in laboratory-generated secondary organic aerosols using proton-nuclear magnetic resonance (<sup>1</sup>H-NMR) analysis and HPLC HULIS determination

2017 ◽  
Vol 17 (17) ◽  
pp. 10405-10421 ◽  
Author(s):  
Nicola Zanca ◽  
Andrew T. Lambe ◽  
Paola Massoli ◽  
Marco Paglione ◽  
David R. Croasdale ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
1H Nmr ◽  
Flow Reactor ◽  
Analytical Techniques ◽  
Water Soluble ◽  
Proton Nuclear Magnetic Resonance ◽  
Aerosol Mass ◽  
Polycarboxylic Acids ◽  
Nuclear Magnetic

Abstract. The study of secondary organic aerosol (SOA) in laboratory settings has greatly increased our knowledge of the diverse chemical processes and environmental conditions responsible for the formation of particulate matter starting from biogenic and anthropogenic volatile compounds. However, characteristics of the different experimental setups and the way they impact the composition and the timescale of formation of SOA are still subject to debate. In this study, SOA samples were generated using a potential aerosol mass (PAM) oxidation flow reactor using α-pinene, naphthalene and isoprene as precursors. The PAM reactor facilitated exploration of SOA composition over atmospherically relevant photochemical ageing timescales that are unattainable in environmental chambers. The SOA samples were analyzed using two state-of-the-art analytical techniques for SOA characterization – proton nuclear magnetic resonance (1H-NMR) spectroscopy and HPLC determination of humic-like substances (HULIS). Results were compared with previous Aerodyne aerosol mass spectrometer (AMS) measurements. The combined 1H-NMR, HPLC, and AMS datasets show that the composition of the studied SOA systems tend to converge to highly oxidized organic compounds upon prolonged OH exposures. Further, our 1H-NMR findings show that only α-pinene SOA acquires spectroscopic features comparable to those of ambient OA when exposed to at least 1  ×  1012 molec OH cm−3  ×  s OH exposure, or multiple days of equivalent atmospheric OH oxidation. Over multiple days of equivalent OH exposure, the formation of HULIS is observed in both α-pinene SOA and in naphthalene SOA (maximum yields: 16 and 30 %, respectively, of total analyzed water-soluble organic carbon, WSOC), providing evidence of the formation of humic-like polycarboxylic acids in unseeded SOA.

scholarly journals Neuroendocrine Neoplasms: Identification of Novel Metabolic Circuits of Potential Diagnostic Utility

Cancers ◽  
2021 ◽  
Vol 13 (3) ◽  
pp. 374
Author(s):  
Beatriz Jiménez ◽  
Mei Ran Abellona U ◽  
Panagiotis Drymousis ◽  
Michael Kyriakides ◽  
Ashley K. Clift ◽  
...  
Keyword(s):  
1H Nmr ◽  
Cancer Metabolism ◽  
Proton Nuclear Magnetic Resonance ◽  
Neuroendocrine Neoplasms ◽  
Resonance Spectroscopy ◽  
Diagnostic Utility ◽  
Signalling Molecules ◽  
Prognostic Accuracy ◽  
Diagnostic Potential ◽  
Healthy Control

The incidence of neuroendocrine neoplasms (NEN) is increasing, but established biomarkers have poor diagnostic and prognostic accuracy. Here, we aim to define the systemic metabolic consequences of NEN and to establish the diagnostic utility of proton nuclear magnetic resonance spectroscopy (1H-NMR) for NEN in a prospective cohort of patients through a single-centre, prospective controlled observational study. Urine samples of 34 treatment-naïve NEN patients (median age: 59.3 years, range: 36–85): 18 had pancreatic (Pan) NEN, of which seven were functioning; 16 had small bowel (SB) NEN; 20 age- and sex-matched healthy control individuals were analysed using a 600 MHz Bruker 1H-NMR spectrometer. Orthogonal partial-least-squares-discriminant analysis models were able to discriminate both PanNEN and SBNEN patients from healthy control (Healthy vs. PanNEN: AUC = 0.90, Healthy vs. SBNEN: AUC = 0.90). Secondary metabolites of tryptophan, such as trigonelline and a niacin-related metabolite were also identified to be universally decreased in NEN patients, while upstream metabolites, such as kynurenine, were elevated in SBNEN. Hippurate, a gut-derived metabolite, was reduced in all patients, whereas other gut microbial co-metabolites, trimethylamine-N-oxide, 4-hydroxyphenylacetate and phenylacetylglutamine, were elevated in those with SBNEN. These findings suggest the existence of a new systems-based neuroendocrine circuit, regulated in part by cancer metabolism, neuroendocrine signalling molecules and gut microbial co-metabolism. Metabonomic profiling of NEN has diagnostic potential and could be used for discovering biomarkers for these tumours. These preliminary data require confirmation in a larger cohort.

scholarly journals Vapor Phase Modification for Selective Enrichment of Grafted Styrene/Acrylonitrile onto Carbon Nanotubes Via ATRP

Processes ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 459
Author(s):  
Maryam Azadbakht ◽  
Elnaz Esmizadeh ◽  
Ali Vahidifar ◽  
Tizazu H. Mekonnen ◽  
Mehdi Salami-Kalajahi
Keyword(s):  
Carbon Nanotubes ◽  
1H Nmr ◽  
Vapor Phase ◽  
Proton Nuclear Magnetic Resonance ◽  
Acid Vapor ◽  
Selective Enrichment ◽  
Pristine Mwcnts ◽  
Morphological Studies ◽  
Phase Oxidation ◽  
Multi Walled Carbon Nanotubes

Nitric acid vapor phase oxidation of multi-walled carbon nanotubes (MWCNTs) was proposed as a promising technique to fabricate poly styrene-co-acrylonitrile (SAN)-grafted-CNTs via atom transfer radical polymerization (ATRP). The in-situ ATRP grafting approach was successfully employed to graft polystyrene (PS), SAN and polyacrylonitrile (PAN), onto the convex surfaces of pristine MWCNTs (PCNT) and acid-functionalized MWCNTs (FCNT). Fourier transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (1H-NMR), and thermogravimetric analysis (TGA) confirmed the effectiveness of the modification via the ATRP grafting approach. The molar composition of acrylonitrile in the synthesized copolymer on the surface of CNTs for an FCNTs was calculated to be about 80% and 67.5% by 1H-NMR and TGA respectively, whereas the value is lower for PCNTs. Morphological studies showed that SAN-grafted FCNTs exhibit rougher surface morphology compared to the SAN-grafted PCNTs. Moreover, the higher diameter of the FCNTs indicated the higher polymer content, which was coated onto CNTs functionalized by vapor-phase oxidation. Therefore, the vapor phase oxidation strategy employed in this study could be utilized as a general method to prepare CNTs which can serve as an ATRP macroinitiator for the fabrication of various polymer grafted CNTs.

Polyhydroxyalkanoate quantification in organic wastes and pure cultures using a single-step extraction and 1H NMR analysis

2012 ◽  
Vol 66 (5) ◽  
pp. 1000-1006 ◽  
Author(s):  
Elisabeth Linton ◽  
Asif Rahman ◽  
Sridhar Viamajala ◽  
Ronald C. Sims ◽  
Charles D. Miller
Keyword(s):  
1H Nmr ◽  
Azotobacter Vinelandii ◽  
Nile Blue ◽  
Agricultural Waste ◽  
Accurate Method ◽  
Single Step ◽  
Proton Nuclear Magnetic Resonance ◽  
Copolymer Composition ◽  
Nmr Analysis ◽  
Nmr Method

In this study, a proton nuclear magnetic resonance (1H NMR) method was developed to quantitatively analyze polyhydroxyalkanoate (PHA) content in Cupriavidus necator H16, Azotobacter vinelandii AvOP, and mixed microbial cultures from the effluent of an agricultural waste treatment anaerobic digester. In contrast to previous methods, a single-step PHA extractive method using deuterated chloroform was established, thereby facilitating direct 1H NMR analysis. The accuracy of the method was verified through comparison with well-established gas chromatography (GC) methanolysis techniques. Nile blue fluorescence staining was also carried out to serve as an independent and qualitative indicator of intracellular PHA content. The results indicate that the 1H NMR method is appropriate for rapid and non-destructive quantification of overall PHA content and determination of PHA copolymer composition in a variety of cultures. Notably, this technique was effective in measuring PHA content in full-strength waste samples where high concentrations of background impurities and organic compounds are present. The straightforward procedures minimize error-introducing steps, require less time and materials, and result in an accurate method suitable for routine analyses.

scholarly journals Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics

2018 ◽  
Vol 19 (11) ◽  
pp. 3288 ◽  
Author(s):  
Panteleimon Takis ◽  
Antonio Taddei ◽  
Riccardo Pini ◽  
Stefano Grifoni ◽  
Francesca Tarantini ◽  
...  
Keyword(s):  
Abdominal Pain ◽  
1H Nmr ◽  
Intestinal Ischemia ◽  
Principal Component ◽  
Disease Diagnosis ◽  
Proton Nuclear Magnetic Resonance ◽  
Mechanical Obstruction ◽  
Symptomatic Gallstones ◽  
Symptom Group ◽  
Upper Abdominal

Precision medicine may significantly contribute to rapid disease diagnosis and targeted therapy, but relies on the availability of detailed, subject specific, clinical information. Proton nuclear magnetic resonance (1H–NMR) spectroscopy of body fluids can extract individual metabolic fingerprints. Herein, we studied 64 patients admitted to the Florence main hospital emergency room with severe abdominal pain. A blood sample was drawn from each patient at admission, and the corresponding sera underwent 1H–NMR metabolomics fingerprinting. Unsupervised Principal Component Analysis (PCA) analysis showed a significant discrimination between a group of patients with symptoms of upper abdominal pain and a second group consisting of patients with diffuse abdominal/intestinal pain. Prompted by this observation, supervised statistical analysis (Orthogonal Partial Least Squares–Discriminant Analysis (OPLS-DA)) showed a very good discrimination (>90%) between the two groups of symptoms. This is a surprising finding, given that neither of the two symptoms points directly to a specific disease among those studied here. Actually herein, upper abdominal pain may result from either symptomatic gallstones, cholecystitis, or pancreatitis, while diffuse abdominal/intestinal pain may result from either intestinal ischemia, strangulated obstruction, or mechanical obstruction. Although limited by the small number of samples from each of these six conditions, discrimination of these diseases was attempted. In the first symptom group, >70% discrimination accuracy was obtained among symptomatic gallstones, pancreatitis, and cholecystitis, while for the second symptom group >85% classification accuracy was obtained for intestinal ischemia, strangulated obstruction, and mechanical obstruction. No single metabolite stands up as a possible biomarker for any of these diseases, while the contribution of the whole 1H–NMR serum fingerprint seems to be a promising candidate, to be confirmed on larger cohorts, as a first-line discriminator for these diseases.

scholarly journals ISOLATION OF 2-CHLOROBENZIMIDAZOLE FROM MELIA DUBIA LEAF EXTRACT AND ITS STRUCTURAL CHARACTERISATION

2017 ◽  
Vol 9 (10) ◽  
pp. 67 ◽  
Author(s):  
G. Dayana Jeyaleela ◽  
S. Irudaya Monisha ◽  
J. Rosaline Vimala ◽  
A. Anitha Immaculate
Keyword(s):  
Mass Spectrometry ◽  
1H Nmr ◽  
Research Work ◽  
Proton Nuclear Magnetic Resonance ◽  
Resonance Spectroscopy ◽  
Ft Ir ◽  
Uv Visible ◽  
Isolated Compound ◽  
Promising Source

Objective: Natural products from medicinal plants, either as isolated compounds or as standardized plant extracts exhibit promising source of medicinal activity against various diseases. The aim of the present work was to make an attempt of isolation of bioactive principle and characterization of the isolated compound, from the medicinal plant Melia dubaiMethods: The extraction was done by a cold percolation method and the compound was separated and isolated by chromatography technique such as a thin layer chromatography (TLC), column chromatography and high-performance liquid chromatography (HPLC). The isolated compound was crystallized and the structural characterization of the isolated compound was made using UV-Visible, FT-IR, 1H-NMR, GC-MS and MS techniques which confirmed the structure of the isolated compound.Results: The separated and isolated compound was characterized by both physical and spectral methods like Ultraviolet-Visible spectroscopy (UV-Visible), Fourier transform infrared spectroscopy (FT-IR), Proton Nuclear Magnetic Resonance Spectroscopy (1H-NMR), Gas chromatography-mass spectrometry (GC-MS), and Mass spectrometry(MS). Based on the studies, organizational characteristics of one bioactive principle were deciphered. The results revealed that the isolated species is 2-chlorobenzimidazole and it agreed well with the reported value and spectra for 2-chlorobenzimidazole.Conclusion: The above results obtained in this research work clearly indicated the promising occurrence of 2-chlorobenzimidazole in Media dubia plant leaves. The future scope of these studies may guide us to view the biological activity of the isolated compound.

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