scholarly journals The Use of Urine Proteomic and Metabonomic Patterns for the Diagnosis of Interstitial Cystitis and Bacterial Cystitis

2004 ◽  
Vol 19 (4-5) ◽  
pp. 169-183 ◽  
Author(s):  
Que N. Van ◽  
John R. Klose ◽  
David A. Lucas ◽  
DaRue A. Prieto ◽  
Brian Luke ◽  
...  
Keyword(s):  
Interstitial Cystitis ◽  
Mass Spectra ◽  
Proton Nuclear Magnetic Resonance ◽  
Training Set ◽  
H Nmr ◽  
New Methods ◽  
System A ◽  
Spectral Patterns ◽  
Bioinformatic Approach ◽  
Disease Specific

The advent of systems biology approaches that have stemmed from the sequencing of the human genome has led to the search for new methods to diagnose diseases. While much effort has been focused on the identification of disease-specific biomarkers, recent efforts are underway toward the use of proteomic and metabonomic patterns to indicate disease. We have developed and contrasted the use of both proteomic and metabonomic patterns in urine for the detection of interstitial cystitis (IC). The methodology relies on advanced bioinformatics to scrutinize information contained within mass spectrometry (MS) and high-resolution proton nuclear magnetic resonance (1H-NMR) spectral patterns to distinguish IC-affected from non-affected individuals as well as those suffering from bacterial cystitis (BC). We have applied a novel pattern recognition tool that employs an unsupervised system (self-organizing-type cluster mapping) as a fitness test for a supervised system (a genetic algorithm). With this approach, a training set comprised of mass spectra and1H-NMR spectra from urine derived from either unaffected individuals or patients with IC is employed so that the most fit combination of relative, normalized intensity features defined at precisem/zor chemical shift values plotted inn-space can reliably distinguish the cohorts used in training. Using this bioinformatic approach, we were able to discriminate spectral patterns associated with IC-affected, BC-affected, and unaffected patients with a success rate of approximately 84%.

Preliminary classification of mass spectral patterns using a simplified learning machine

1973 ◽  
Vol 26 (9) ◽  
pp. 1955 ◽  
Author(s):  
RJ Mathews
Keyword(s):  
Mass Spectra ◽  
Functional Group ◽  
Training Process ◽  
Training Set ◽  
Mass Spectral ◽  
Learning Machine ◽  
Spectral Patterns ◽  
Feature Pattern ◽  
Preliminary Classification

A simplified learning machine technique is presented which is suitable for forming preliminary classification of patterns. This technique allows preliminary compression of data prior to the training process, and generates a reliable classifier even when there are linearly inseparable data in the training set. This method has been used to form an eight-feature pattern classifier which identifies, directly from their mass spectra, compounds of the structure (RO)2P(=X)Y where R is H, Me, or Et; X is O or S; and Y is any functional group.

New Methods for Analyzing Water Pollutants

1982 ◽  
Vol 14 (4-5) ◽  
pp. 59-71 ◽  
Author(s):  
L H Keith ◽  
R C Hall ◽  
R C Hanisch ◽  
R G Landolt ◽  
J E Henderson
Keyword(s):  
Amino Acids ◽  
Gas Chromatography ◽  
Two Dimensional ◽  
Gas Chromatograph ◽  
New Class ◽  
New Methods ◽  
System A ◽  
Drinking Waters ◽  
Computer Controlled ◽  
Nitrogen Containing Compounds

Two new methods have been developed to analyze for organic pollutants in water. The first, two-dimensional gas chromatography, using post detector peak recycling (PDPR), involves the use of a computer-controlled gas Chromatograph to selectively trap compounds of interest and rechromatograph them on a second column, recycling them through the same detector again. The second employs a new detector system, a thermally modulated electron capture detector (TMECD). Both methods were used to demonstrate their utility by applying them to the analysis of a new class of potentially ubiquitous anthropoaqueous pollutants in drinking waters- -haloacetonitriles. These newly identified compounds are produced from certain amino acids and other nitrogen-containing compounds reacting with chlorine during the disinfection stage of treatment.

Synthesis of 2-amino-5,7-dimethyl-4-oxopyrido[3,4-e]-1,3-thiazines

1983 ◽  
Vol 48 (12) ◽  
pp. 3426-3432 ◽  
Author(s):  
Dušan Koščík ◽  
Pavol Kristian ◽  
Ondrej Forgáč
Keyword(s):  
Spectral Data ◽  
Chlorine Atom ◽  
Mass Spectra ◽  
High Reactivity ◽  
Secondary Amines ◽  
Dimroth Rearrangement ◽  
H Nmr ◽  
New Synthesis ◽  
C Nmr

New synthesis of pyrido[3,4-e]-1,3-thiazines consisting in reaction of 2,6-dimethyl-4-chloronicotinoyl isothiocyanate with primary or secondary amines, or with benzaldehyde phenylhydrazone, is described. High reactivity of the chlorine atom does not allow isolation of the corresponding thioureas, arising as intermediates, except in the case of the benzylamino derivative. Structure of the products was unequivocally confirmed by their spectral data (IR, UV, 1H NMR, 13C NMR and mass spectra). The synthesized derivatives do not undergo the Dimroth rearrangement.

Oxynemorensine, an alkaloid from Senecio nemorensis L., var. subdecurrens GRISEB

1980 ◽  
Vol 45 (2) ◽  
pp. 548-558 ◽  
Author(s):  
Antonín Klásek ◽  
Petr Sedmera ◽  
Jindřich Vokoun ◽  
Anna Boeva ◽  
Svatava Dvoráčková ◽  
...  
Keyword(s):  
Unsaturated Acid ◽  
Mass Spectra ◽  
H Nmr ◽  
C Nmr

From S. nemorensis L., var. subdecurrens GRISEB. there were isolated the previously obtained alkaloids nemorensine (I), retroisosenine (II), bulgarsenine (III) and, in addition, the alkaloid oxynemorensine which was assigned the structure VIII on the basis of the interpretation of the 1H-NMR, 13C-NMR, mass spectra, and on that of the identification of the products of hydrolysis and reduction. Furthermore, the isolation of the cis-nemorensic acid (V) as well as that of the unsaturated acid IV, and the transformation of bulgarsenine (III) to nemorensine (I) were described.

Synthesis and Antibacterial Properties of Some 4-Amino Substituted 2-Phenyl-6H-5,1,3-benzothiadiazocines

1996 ◽  
Vol 61 (11) ◽  
pp. 1681-1688 ◽  
Author(s):  
Michal Bodajla ◽  
Štefan Stankovský ◽  
Katarína Špirková ◽  
Soňa Jantová
Keyword(s):  
Mass Spectra ◽  
Antibacterial Properties ◽  
H Nmr ◽  
Antibacterial Screening

Some 4-amino substituted 2-phenyl-6H-5,1,3-benzothiadiazocines (4a-4j) were prepared by cyclization of the corresponding N1-[N-(2-chloromethylphenyl)benzimidoyl]-N2-substituted thioureas (3a-3j). The IR,1H NMR and mass spectra of the title compounds are reported together with the results of antibacterial screening.

Synthesis and properties of a benzoxazine monomer containing maleimide and biphenyl groups

2021 ◽  
pp. 095400832199674
Author(s):  
Tao Guo ◽  
Yang Fan ◽  
Chang Bo ◽  
Zhang Qi ◽  
Han Tao ◽  
...  
Keyword(s):  
Weight Loss ◽  
Loss Rate ◽  
Proton Nuclear Magnetic Resonance ◽  
Significant Weight Loss ◽  
Scanning Calorimetry ◽  
Weight Loss Rate ◽  
Reaction Heat ◽  
H Nmr ◽  
Curing Reaction ◽  
Dsc Curves

Benzoxazine resin exhibits excellent properties and is widely used in many fields. Herein, the synthesis of a novel compound, the bis(2,4-dihydro-2 H-3-(4- N-maleimido)phenyl-1,3-benzoxazinyl)biphenyl (BMIPBB), has been reported, which was synthesized by reacting N-(4-aminophenyl)maleimide (APMI), formaldehyde, and 4,4’-dihydroxybiphenyl. 1,3,5-three(4-(maleimido)phenyl)-1,3,5-triazine (TMIPT) was formed as an intermediate during the reaction. The proton nuclear magnetic resonance (1H-NMR) and Fourier transform-infrared (FTIR) spectroscopy experiments were conducted to determine the structure of BMIPBB. BMIPBB was obtained as a reddish-brown solid in 40.1% yield. The thermal properties of BMIPBB were investigated using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) techniques. Analysis of the DSC curves revealed that the broad peak representing the release of curing reaction heat appeared in the temperature range of 140–330°C. The peak temperature was 242.59°C and the heat of the reaction was 393.82 J/g, indicating that the rate of the curing reaction was low and the heat of the reaction was high. Analysis of the TGA results revealed that the weight loss rate was 5% at 110°C. The monomer exhibited a significant weight loss in the range of 320–500°C. The compound lost 50% of its weight at a temperature of 427°C.

scholarly journals Putative imbalanced amino acid metabolism in rainbow trout long term fed a plant-based diet as revealed by 1H-NMR metabolomics

2021 ◽  
Vol 10 ◽  
Author(s):  
Catherine Deborde ◽  
Blandine Madji Hounoum ◽  
Annick Moing ◽  
Mickaël Maucourt ◽  
Daniel Jacob ◽  
...  
Keyword(s):  
Amino Acids ◽  
Rainbow Trout ◽  
Amino Acid ◽  
Amino Acid Content ◽  
Proton Nuclear Magnetic Resonance ◽  
Free Form ◽  
Metabolomic Analysis ◽  
Nmr Metabolomics ◽  
H Nmr

Abstract The long-term effect of a plant (P)-based diet was assessed by proton nuclear magnetic resonance (1H-NMR) metabolomics in rainbow trout fed a marine fish meal (FM)–fish oil (FO) diet (M), a P-based diet and a control commercial-like diet (C) starting with the first feeding. Growth performances were not heavily altered by long-term feeding on the P-based diet. An 1H-NMR metabolomic analysis of the feed revealed significantly different soluble chemical compound profiles between the diets. A set of soluble chemical compounds was found to be specific either to the P-based diet or to the M diet. Pterin, a biomarker of plant feedstuffs, was identified both in the P-based diet and in the plasma of fish fed the P-based diet. 1H-NMR metabolomic analysis on fish plasma and liver and muscle tissues at 6 and 48 h post feeding revealed significantly different profiles between the P-based diet and the M diet, while the C diet showed intermediate results. A higher amino acid content was found in the plasma of fish fed the P-based diet compared with the M diet after 48 h, suggesting either a delayed delivery of the amino acids or a lower amino acid utilisation in the P-based diet. This was associated with an accumulation of essential amino acids and the depletion of glutamine in the muscle, together with an accumulation of choline in the liver. Combined with an anticipated absorption of methionine and lysine supplemented in free form, the present results suggest an imbalanced essential amino acid supply for protein metabolism in the muscle and for specific functions of the liver.

National cardiac registries: a systematic review

2020 ◽  
Vol 41 (Supplement_2) ◽  
Author(s):  
L Dawson ◽  
S Biswas ◽  
D Stub ◽  
J Lefkovits ◽  
L Burchill ◽  
...  
Keyword(s):  
Heart Failure ◽  
Coronary Intervention ◽  
Quality Registry ◽  
Domain Specific ◽  
Transcatheter Aortic Valve ◽  
System A ◽  
Disease Registries ◽  
Percutaneous Coronary ◽  
Multiple Domains ◽  
Disease Specific

Abstract Background Over the last thirty years, there has been exponential growth in the number and scale of national cardiovascular disease registries. We aimed to provide a comprehensive outline of contemporary national cardiac registries across all subspecialties. Methods We performed a systematic literature review by searching OvidMedline in August 2019 to identify registries relating to six pre-specified domains (Table). For inclusion, registries had to be national in nature, actively collecting data, and publishing either peer-reviewed publications or online reports. Results A total of 24,076 records were identified from six domain-specific Medline searches; 24,057 abstracts were screened with 19,435 non-relevant records excluded; 4,624 full texts were screened with 4,473 non-relevant texts excluded; and 151 registries met inclusion criteria representing 51 countries. Of these, 15 related to cardiac surgery, 27 to arrhythmia (17 device, 5 ablation, 7 atrial fibrillation), 21 to congenital heart disease (14 general, 2 interventional, 4 surgical, and 1 disease specific), 43 to coronary disease or percutaneous coronary intervention (22 PCI, 21 CAD), 27 to heart failure (13 heart failure, 5 transplant, 2 mechanical support, 7 disease specific), and 18 related to structural intervention (3 any, 13 transcatheter aortic valve replacement, 2 mitral intervention). Nine national registries (USA, Sweden, Finland, Denmark, UK, Portugal, Norway, Taiwan, and Singapore) covered multiple domains. Quality scoring using the Monash University Clinical Quality Registry Grading System (a composite score of recruitment, and data completeness, definitions, reliability and validation), demonstrated marked heterogeneity in quality between registries. Conclusions Cardiac registries have seen rapid growth, however the use and quality among various subspecialties differs markedly across world regions. Given the multiple benefits, clinicians, funders and health bureaucrats should be encouraged to focus on the range, quality and uptake of national registries. Figure 1 Funding Acknowledgement Type of funding source: None

scholarly journals Time–frequency analysis of serum with proton nuclear magnetic resonance for diagnosis of pancreatic cancer

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Asahi Sato ◽  
Toshihiko Masui ◽  
Akitada Yogo ◽  
Takashi Ito ◽  
Keiko Hirakawa ◽  
...  
Keyword(s):  
Pancreatic Cancer ◽  
Carbohydrate Antigen ◽  
Serum Markers ◽  
Proton Nuclear Magnetic Resonance ◽  
Serum Samples ◽  
Time Frequency ◽  
H Nmr ◽  
Free Induction ◽  
Short Time ◽  
Long Term Survivors

AbstractAlthough serum markers such as carcinoembryonic antigen (CEA) and carbohydrate antigen (CA19-9) have been widely used in screening for pancreatic cancer (PC), their sensitivity and specificity are unsatisfactory. Recently, a novel tool of analyzing serum using the short-time Fourier transform (STFT) of free induction decays (FIDs) obtained by 1H-NMR has been introduced. We for the first time evaluated the utility of this technology as a diagnostic tool for PC. Serum was obtained from PC patients before starting any treatments. Samples taken from individuals with benign diseases or donors for liver transplantation were obtained as controls. Serum samples from both groups underwent 1H-NMR and STFT of FIDs. STFT data were analyzed by partial least squares discriminant analysis (PLS-DA) to clarify whether differences were apparent between groups. As a result, PLS-DA score plots indicated that STFT of FIDs enabled effective classification of groups with and without PC. Additionally, in a subgroup of PC, long-term survivors (≥ 2 years) could be discriminated from short-term survivors (< 2 years), regardless of pathologic stage or CEA or CA19-9 levels. In conclusion, STFT of FIDs obtained from 1H-NMR have a potential to be a diagnostic and prognostic tool of PC.

scholarly journals Isocyanate und verwandte Verbindungen des trimeren Phosphornitriddifluorids / Isocyanates and Related Compounds of Trimeric Phosphor-difluoronitride

1971 ◽  
Vol 26 (7) ◽  
pp. 679-683 ◽  
Author(s):  
Herbert W. Roesky ◽  
Enno Janssen
Keyword(s):  
Ir Spectra ◽  
Elemental Analysis ◽  
Mass Spectra ◽  
H Nmr ◽  
Carbonic Acids ◽  
Related Compounds

P3N3F5NCO was prepared by reaction of P3N3F5NSO with (COCl) 2. Substituted amides were obtained from the reaction of P3N3F5NSO with carbonic acids e. g. P3N3F5NHCOCH3, P3N3F5NHCOC2H5, and P3N3F5NHCOC3H7. If these substances were treated with PCl5 the following compounds P3N3F5N = CClCH3, P3N3F5N = CClCH5, and P3N3F5TN = CClC3H7 were formed. They reacted with nucleophiles to give P3N3F5N = CNH2CH3, P3N3F5N = TN (CH3) 2C2H5, and P3N3F5N = CN (CH3) 2CH7. The properties of these compounds are described. They were characterized by elemental analysis and IR-spectra. 19F-, 1H-NMR, and mass spectra are reported.

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