scholarly journals Comparing Targeted vs. Untargeted MS2 Data-Dependent Acquisition for Peak Annotation in LC–MS Metabolomics

Metabolites ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 126 ◽  
Author(s):  
Isabel Ten-Doménech ◽  
Teresa Martínez-Sena ◽  
Marta Moreno-Torres ◽  
Juan Daniel Sanjuan-Herráez ◽  
José V. Castell ◽  
...  

One of the most widely used strategies for metabolite annotation in untargeted LCMS is based on the analysis of MSn spectra acquired using data-dependent acquisition (DDA), where precursor ions are sequentially selected from MS scans based on user-selected criteria. However, the number of MSn spectra that can be acquired during a chromatogram is limited and a trade-off between analytical speed, sensitivity and coverage must be ensured. In this research, we compare four different strategies for automated MS2 DDA, which can be easily implemented in the frame of standard QA/QC workflows for untargeted LC–MS. These strategies consist of (i) DDA in the MS working range; (ii) iterated DDA split into several m/z intervals; (iii) dynamic iterated DDA of (pre)selected potentially informative features; and (iv) dynamic iterated DDA of (pre)annotated metabolic features using a reference database. Their performance was assessed using the analysis of human milk samples as model example by comparing the percentage of LC–MS features selected as the precursor ion for MS2, the number, and class of annotated features, the speed and confidence of feature annotation, and the number of LC runs required.

Vaccines ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 785
Author(s):  
Maurizio Guida ◽  
Daniela Terracciano ◽  
Michele Cennamo ◽  
Federica Aiello ◽  
Evelina La Civita ◽  
...  

Objective: The objective of this research is to demonstrate the release of SARS-CoV-2 Spike (S) antibodies in human milk samples obtained by patients who have been vaccinated with mRNABNT162b2 vaccine. Methods: Milk and serum samples were collected in 10 volunteers 20 days after the first dose and 7 seven days after the second dose of the mRNABNT162b2 vaccine. Anti-SARS-CoV-2 S antibodies were measured by the Elecsys® Anti-SARS-CoV-2 S ECLIA assay (Roche Diagnostics AG, Rotkreuz, Switzerland), a quantitative electrochemiluminescence immunometric method. Results: At first sample, anti-SARS-CoV-2 S antibodies were detected in all serum samples (103.9 ± 54.9 U/mL) and only in two (40%) milk samples with a low concentration (1.2 ± 0.3 U/mL). At the second sample, collected 7 days after the second dose, anti-SARS-CoV-2 S antibodies were detected in all serum samples (3875.7 ± 3504.6 UI/mL) and in all milk samples (41.5 ± 47.5 UI/mL). No correlation was found between the level of serum and milk antibodies; the milk antibodies/serum antibodies ratio was on average 2% (range: 0.2–8.4%). Conclusion: We demonstrated a release of anti-SARS-CoV-2 S antibodies in the breast milk of women vaccinated with mRNABNT162b2. Vaccinating breastfeeding women could be a strategy to protect their infants from COVID-19 infection.


Nutrients ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 1476
Author(s):  
Jian Zhang ◽  
Ai Zhao ◽  
Shiyun Lai ◽  
Qingbin Yuan ◽  
Xiaojiang Jia ◽  
...  

Our knowledge related to human milk proteins is still limited. The present study determined the changes in multiple human milk proteins during the first six months of lactation, investigated the influencing factors of milk proteins, and explored the impact of milk proteins on infant growth. A total of 105 lactating women and their full-term infants from China were prospectively surveyed in this research. Milk samples were collected at 1–5 days, 8–14 days, 1 month, and 6 months postpartum. Concentrations of total protein and α-lactalbumin were measured in all milk samples, and concentrations of lactoferrin, osteopontin, total casein, β-casein, αs−1 casein, and κ-casein were measured in milk from 51 individuals using ultra performance liquid chromatography coupled with mass spectrometry. The concentration of measured proteins in the milk decreased during the first six months of postpartum (p-trend < 0.001). Maternal age, mode of delivery, maternal education, and income impacted the longitudinal changes in milk proteins (p-interaction < 0.05). Concentrations of αs−1 casein in milk were inversely associated with the weight-for-age Z-scores of the infants (1 m: r −0.29, p 0.038; 6 m: r −0.33, p 0.020). In conclusion, the concentration of proteins in milk decreased over the first six months postpartum, potentially influenced by maternal demographic and delivery factors. Milk protein composition may influence infant weights.


Nutrients ◽  
2021 ◽  
Vol 13 (7) ◽  
pp. 2285
Author(s):  
Tomoki Takahashi ◽  
Hirofumi Fukudome ◽  
Hiroshi M. Ueno ◽  
Shiomi Watanabe-Matsuhashi ◽  
Taku Nakano ◽  
...  

The benefits of probiotic supplementation to lactating mothers on human milk cytokines are inconclusive. Thus, we performed a comprehensive open-label pilot trial analysis of 27 human milk cytokines in lactating women with allergies (one to three months postpartum) to determine the effect of supplementation with a mixture of new probiotic strains. Participants voluntarily joined the probiotic (n = 41) or no supplementation control (n = 19) groups. The probiotic group took three probiotic tablets (Lactobacillus casei LC5, Bifidobacterium longum BG7, and Bacillus coagulans SANK70258) daily for one to three months postpartum. Milk samples were collected at one, two, and three months postpartum, and cytokine levels were measured using multiplex assays. The effects were analyzed using multivariate regression models. Eleven cytokines showed a positive rate of over 50% in the milk samples throughout testing in both groups. The positive rates of IL-1 receptor antagonist and IL-7 changed significantly with lactation progression in logistic regression models after adjusting for time and supplementation, whereas rates of other cytokines showed no significant differences. The lactational change patterns of IL-10 concentrations differed significantly between the two groups. A short-term supplementation of probiotics affects human milk cytokine levels in lactating women with a possible placebo effect still existing. Future placebo-controlled studies are needed to support these results, based on the estimated sample sizes in this study.


PEDIATRICS ◽  
1991 ◽  
Vol 87 (4) ◽  
pp. 439-444
Author(s):  
Patrick S. Clyne ◽  
Anthony Kulczycki

Previous studies have suggested that an unidentified cow's milk protein, other than β-lactoglobulin and casein, might play a pathogenetic role in infant colic. Therefore, a radioimmunoassay was used to analyze human breast milk and infant formula samples for the presence of bovine IgG. Milk samples from 88 of the 97 mothers tested contained greater than 0.1 µg/mL of bovine IgG. In a study group of 59 mothers with infants in the colic-prone 2- to 17-week age group, the 29 mothers of colicky infants had higher levels of bovine IgG in their breast milk (median 0.42 µg/mL) than the 30 mothers of noncolicky infants (median 0.32 µg/mL) (P &lt; .02). The highest concentrations of bovine IgG observed in human milk were 8.5 and 8.2 µg/mL. Most cow's milk-based infant formulas contained 0.6 to 6.4 µg/mL of bovine IgG, a concentration comparable with levels found in many human milk samples. The results suggest that appreciable quantities of bovine IgG are commonly present in human milk, that significantly higher levels are present in milk from mothers of colicky infants, and that bovine IgG may possibly be involved in the pathogenesis of infant colic.


2020 ◽  
Vol 11 (2) ◽  
pp. 151-162 ◽  
Author(s):  
M. Dinleyici ◽  
V. Pérez-Brocal ◽  
S. Arslanoglu ◽  
O. Aydemir ◽  
S. Sevuk Ozumut ◽  
...  

Intestinal and human milk microbiota studies during infancy have shown variations according to geographical location, delivery mode, gestational age, and mother-related factors during pregnancy. In this study, we performed metagenomic mycobiota analyses of 44 transient and mature human milk among five different groups: mothers of normal spontaneous delivery-term (NS-T), caesarean delivery-term (CS-T), premature (PT), small for gestational age (SGA), and large for gestational age (LGA) infants. Fungi were detected in 80 out of the 88 samples. Regarding the number of observed fungal species, the NS-T group was more homogeneous (less variable) comparing the other groups (P<0.05). In the transient human milk samples, the most abundant species were Saccharomyces cerevisiae (33.3%) and Aspergillus glaucus (27.4%). While A. glaucus (33.7%) was second most abundant species in mature milk, S. cerevisiae disappeared (P<0.01) and Penicillium rubens became the most abundant species (35.5%) (P<0.05). Among the NS-T group, the most abundant species was Malassezia globosa in both transient and mature milk. In contrast, S. cerevisiae was the most abundant species in transient human milk (45.0%) in the CS-T group, but it disappeared in mature milk (P<0.01). In transient milk, M. globosa was only represented 6.0-9.0% of taxa in the PT, SGA, and LGA groups (P<0.05). In transient and mature milk in the PT, SGA and LGA groups, the most abundant species were A. glaucus and P. rubens. In mature milk samples, P. rubens is more abundant in CS-T group, PT group and LGA group, than the NS-T groups (P<0.05 for all). Although fungi constitute only a very small part of the human milk microbiome, we observed some changes that the human milk mycobiota composition varies in caesarean delivery, premature, SGA and LGA groups, comparing the normal spontaneous delivery, as well as differences between transient and mature human milk.


Nutrients ◽  
2018 ◽  
Vol 10 (9) ◽  
pp. 1231 ◽  
Author(s):  
Christine Butts ◽  
Duncan Hedderley ◽  
Thanuja Herath ◽  
Gunaranjan Paturi ◽  
Sarah Glyn-Jones ◽  
...  

Human milk is nutrient rich, complex in its composition, and is key to a baby’s health through its role in nutrition, gastrointestinal tract and immune development. Seventy-eight mothers (19–42 years of age) of Asian, Māori, Pacific Island, or of European ethnicity living in Manawatu-Wanganui, New Zealand (NZ) completed the study. The women provided three breast milk samples over a one-week period (6–8 weeks postpartum), completed a three-day food diary and provided information regarding their pregnancy and lactation experiences. The breast milk samples were analyzed for protein, fat, fatty acid profile, ash, selected minerals (calcium, magnesium, selenium, zinc), and carbohydrates. Breast milk nutrient profiles showed no significant differences between the mothers of different ethnicities in their macronutrient (protein, fat, carbohydrate, and moisture) content. The breast milk of Asian mothers contained significantly higher levels of polyunsaturated fatty acids (PUFAs), omega-3 (n-3) and omega-6 (n-6) fatty acids, docosahexaenoic acid (DHA), and linoleic acids. Arachidonic acid was significantly lower in the breast milk of Māori and Pacific Island women. Dietary intakes of protein, total energy, saturated and polyunsaturated fat, calcium, phosphorus, zinc, iodine, vitamin A equivalents, and folate differed between the ethnic groups, as well as the number of serves of dairy foods, chicken, and legumes. No strong correlations between dietary nutrients and breast milk components were found.


2018 ◽  
Vol 51 (3) ◽  
pp. 598-616 ◽  
Author(s):  
Jaewoo Cho ◽  
Jae Hong Kim ◽  
Yonsu Kim

While much scholarly attention has been paid to ways in which metropolitan areas are politically structured and operated to achieve a dual goal, economic growth, and equality, relatively less is known about the complex relationship between metropolitan governance structures and growth–inequality dynamics. This study investigates how and to what extent metropolitan governance structures shape regional economic growth and inequality trajectories using data for 267 US metropolitan areas from 1990 to 2010. Findings from a two-stage least squares regression analysis suggest that economic growth is associated with governance structures in a nonlinear fashion, with relatively more rapid growth rates in both highly centralized and decentralized metropolitan areas. However, these regions are also found to experience a larger increase in income inequality, indicating an important trade-off to be considered carefully in exploring ways to reform existing governance settings. These findings further suggest that the so-called growth–inequality trade-off may exist not only in their direct interactions but through their connections via governance or other variables.


Author(s):  
Sweekruthi A. Shetty ◽  
Melissa F. Young ◽  
Sunita Taneja ◽  
Kannan Rangiah

Background: Estimation of macronutrients like protein and lactose is important to assess the quality of milk. To estimate these two macronutrients, ten raw milk samples obtained from each group of different animals (cow, goat, buffalo), ten pasteurized cow milk and ten human milk samples were analysed. Methods: Bicinchoninic acid (BCA) method was used to estimate protein from different milk samples. Four different sample preparation protocols were compared to check the effect of fat on BCA based protein estimation: dilution (D), fat removal-protein precipitation (FR and PP), fat removal-dilution (FR and D) and dilution-fat removal (D and FR). For lactose quantification, ultrahigh-performance liquid chromatography-mass spectrometry-selected reaction monitoring (UHPLC-MS/SRM) method was developed and validated using 13C6 lactose as internal standard (ISTD).Result: Among these four different protocols, D and FR method showed consistent data for total protein content in animal milk (cow-3.16%, goat-3.21%, buffalo-3.81%, pasteurized-2.98%) and FR and PP showed consistent data in human milk samples (1.2%). Though BCA method is simple to use, proper sample preparation protocol has to be applied prior to protein estimation to avoid the interference due to fat or lactose. In case of lactose, inter-day validation showed the accuracy ranging from 97.13 to 100.54%, coefficient of variation varying between 0.1 to 1.53%, correlation R2=0.999. Lactose is in the range of 4.1 to 4.8% in animal milk and 6.6% in human milk samples. The internal ratio of lactose/protein (1.28 to 1.55 in animal milk and 5.33 in human milk) will be useful to differentiate human milk from animal milk type and to assess the milk quality.


Author(s):  
TALAT KILIC ◽  
Sebnem Kilic ◽  
Nurcan Kirici Berber ◽  
Ayten Gunduz ◽  
Yasemin Ersoy

Objectives: Studies have shown that severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is primarily transmitted from person to person via airborne droplets. It is unclear whether it can be shed into human milk and transmitted to a child via breastfeeding.We investigated the presence of SARS-CoV-2 RNA in human milk samples of 15 mothers with coronavirus disease 19(COVID-19) and in the throat swab samples of their infants. Methods: This is a prospective observational study in which breast milk samples were collected from 15 mothers with COVID-19. The presence of SARS-CoV-2 RNA in the whole human milk samples of the patients was investigated using RT-qPCR. All of the infants underwent a clinical follow-up during their 14-day isolation and their throat swab samples were tested for SARS-CoV-2 RNA. Results: Of 15 mothers with COVID-19, SARS-CoV-2 RNA was detected in milk samples from 4 mothers. The throat swab samples from these mothers’ infants were found to be positive for SARS-CoV-2 RNA. Three of the four mothers were breastfeeding. In addition, during the 14-day isolation, all but three of the mothers breastfed their infants. Of the 12 breastfed infants, while the test for SARS-CoV-2 RNA in throat swab samples was negative in six of the infants, the other six infants, who had mild COVID-19 symptoms, tested positive for SARS-CoV-2 RNA.Clinical outcomes of all mothers and infants were uneventful. Conclusion: To our knowledge, this is the first case series with the largest number of cases with SARS-CoV-2 RNA positivity in human milk samples of mothers with COVID-19. However, we believe that the benefits of breastfeeding may outweigh the risk of SARS-CoV-2 infection in infants


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