scholarly journals Investigation on the Anaphylaxis and Anti-Digestive Stable Peptides Identification of Ultrasound-Treated α-Lactalbumin during In-Vitro Gastroduodenal Digestion

Foods ◽  
2021 ◽  
Vol 10 (11) ◽  
pp. 2760
Author(s):  
Xumei Wang ◽  
Zongcai Tu ◽  
Guangxian Liu ◽  
Hui Wang ◽  
Yueming Hu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Tertiary Structure ◽  
High Resolution Mass Spectrometry ◽  
Conformational Epitope ◽  
The Other ◽  
Linear Epitopes ◽  
The One ◽  
Resolution Mass

Our previous studies indicated that ultrasound treatment can increase the anaphylaxis of protein. However, investigation on the anaphylaxis changes of ultrasound-treated α-lactalbumin (ALA) during digestion is lacking. The anaphylaxis of ultrasound-treated ALA and its digesta was investigated. The anti-digestive stable peptides were identified by high-resolution mass spectrometry. Ultrasound induced the tertiary structure of ALA to unfold and increased its anaphylaxis. During digestion, the anaphylaxis of both gastric and gastroduodenal digesta was further increased. There are two reasons for this phenomenon. On the one hand, linear epitopes played an important role in affecting anaphylaxis compared with the conformational epitope, and some linear epitopes were still retained on the anti-digestive stable peptides produced after gastroduodenal digestion, resulting in increased anaphylaxis after digestion. On the other hand, the presence of intact ALA molecules after digestion still remained strong anaphylaxis. Compared with the digesta of untreated ALA, the digesta of ultrasound-treated ALA possessed higher anaphylaxis. The results indicated that ultrasound increased the anaphylaxis of ALA during digestion.

scholarly journals Nontargeted Metabolomics by High-Resolution Mass Spectrometry to Study the In Vitro Metabolism of a Dual Inverse Agonist of Estrogen-Related Receptors β and γ, DN203368

Pharmaceutics ◽  
2021 ◽  
Vol 13 (6) ◽  
pp. 776
Author(s):  
Sin-Eun Kim ◽  
Seung-Bae Ji ◽  
Euihyeon Kim ◽  
Minseon Jeong ◽  
Jina Kim ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Human Liver ◽  
High Resolution Mass Spectrometry ◽  
Liver Microsomes ◽  
Human Liver Microsomes ◽  
Rat Liver Microsomes ◽  
High Resolution Mass ◽  
Resolution Mass

DN203368 ((E)-3-[1-(4-[4-isopropylpiperazine-1-yl]phenyl) 3-methyl-2-phenylbut-1-en-1-yl] phenol) is a 4-hydroxy tamoxifen analog that is a dual inverse agonist of estrogen-related receptor β/γ (ERRβ/γ). ERRγ is an orphan nuclear receptor that plays an important role in development and homeostasis and holds potential as a novel therapeutic target in metabolic diseases such as diabetes mellitus, obesity, and cancer. ERRβ is also one of the orphan nuclear receptors critical for many biological processes, such as development. We investigated the in vitro metabolism of DN203368 by conventional and metabolomic approaches using high-resolution mass spectrometry. The compound (100 μM) was incubated with rat and human liver microsomes in the presence of NADPH. In the metabolomic approach, the m/z value and retention time information obtained from the sample and heat-inactivated control group were statistically evaluated using principal component analysis and orthogonal partial least-squares discriminant analysis. Significant features responsible for group separation were then identified using tandem mass spectra. Seven metabolites of DN203368 were identified in rat liver microsomes and the metabolic pathways include hydroxylation (M1-3), N-oxidation (M4), N-deisopropylation (M5), N,N-dealkylation (M6), and oxidation and dehydrogenation (M7). Only five metabolites (M2, M3, and M5-M7) were detected in human liver microsomes. In the conventional approach using extracted ion monitoring for values of mass increase or decrease by known metabolic reactions, only five metabolites (M1-M5) were found in rat liver microsomes, whereas three metabolites (M2, M3, and M5) were found in human liver microsomes. This study revealed that nontargeted metabolomics combined with high-resolution mass spectrometry and multivariate analysis could be a more efficient tool for drug metabolite identification than the conventional approach. These results might also be useful for understanding the pharmacokinetics and metabolism of DN203368 in animals and humans.

In vitro and in vivo metabolism of 3-quinuclidinyl benzilate by high-resolution mass spectrometry

2020 ◽  
Vol 190 ◽  
pp. 113519
Author(s):  
Martin Uher ◽  
Martin Mžik ◽  
Jana Žďárová Karasová ◽  
David Herman ◽  
Lenka Čechová ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
In Vivo Metabolism ◽  
High Resolution Mass ◽  
Resolution Mass ◽  
Quinuclidinyl Benzilate

Potential of High-Resolution Mass Spectrometry for the Detection of Drugs and Metabolites in Hair: Methoxetamine in a Real Forensic Case

2020 ◽  
Author(s):  
J M Matey ◽  
Adrián López-Fernández ◽  
Carmen García-Ruiz ◽  
Gemma Montalvo ◽  
M D Moreno ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Drugs Of Abuse ◽  
High Resolution Mass Spectrometry ◽  
High Resolution Mass ◽  
Low Concentrations ◽  
Forensic Case ◽  
High Resolution Technique ◽  
The One ◽  
Resolution Mass

Abstract The analysis of drugs of abuse in hair and other biological matrices of forensic interest requires great selectivity and sensitivity. This is done traditionally through target analysis, with one or more analytical methods, or with different and specific preanalytical phases, and complex procedures performed by the toxicological laboratories, and there is no exception with ketamine-like compounds, such as methoxetamine, a new psychoactive substance whose use has increased in the last decades, and continues to grow quickly year by year. More validated methods of analysis are needed to detect these substances in low concentrations selectively. Reanalyzing the samples of a former case of a polydrug consumer accused of a crime against public health in Spain, five metabolites of methoxetamine (normethoxetamine, O-desmethylmethoxetamine, dehydromethoxetamine, dihydronormethoxetamine and hydroxynormethoxetamine) were tentatively detected using a high-resolution technique, i.e., liquid chromatography coupled to high-resolution mass spectrometry (LC–HR-MS-MS). The highest analytical selectivity of LC–HR-MS-MS method together a universal and simpler pretreatment stages has demonstrated to allow faster analysis and more sensitivity than the one performed traditionally at the INTCF laboratories, which was gas chromatography coupled to mass spectrometry.

Absolute stereochemistry of calopiptin

1968 ◽  
Vol 21 (8) ◽  
pp. 2095 ◽  
Author(s):  
JB Mc Alpine ◽  
NV Riggs ◽  
PG Gordon
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
The Other ◽  
Methyl Groups ◽  
Lower Field ◽  
Methyl Group ◽  
Low Field ◽  
Absolute Stereochemistry ◽  
Resolution Mass

The α,α?-diaryl-β,β-dimethyltetrahydrofurenoid lignan, calopiptin, from Piptocalyx moorei has been converted by demethylenation and methylation into veraguensin, now also isolated from Trimenia papuana (both species, family Trimeniaceae). Ozonolysis yields (-)-2,3-dimethylsuocinic acid which establishes the absolute trans configuration of the methyl groups. The benzylic proton giving a signal at low field from the other in the p.m.r, spectrum is assigned as trans to the adjacent methyl group by shielding and spin-decoupling arguments. The signal moves to even lower field on nitration of one of the aryl groups, identified as 3,4-dimethoxyphenyl by competitive nitration experiments and high-resolution mass spectrometry. Calopiptin is 2R-(3,4-dimethoxyphenyl)-3S,4S-dimethyl-5S-(3,4-methylenedioxyphenyl)tetrahydrofuran.

Sign in / Sign up

Export Citation Format

Share Document