• Title/Summary/Keyword: mass formula

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Isomer Differentiation Using in silico MS2 Spectra. A Case Study for the CFM-ID Mass Spectrum Predictor

  • Milman, Boris L.;Ostrovidova, Ekaterina V.;Zhurkovich, Inna K.
    • Mass Spectrometry Letters
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    • v.10 no.3
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    • pp.93-101
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    • 2019
  • Algorithms and software for predicting tandem mass spectra have been developed in recent years. In this work, we explore how distinct in silico $MS^2$ spectra are predicted for isomers, i.e. compounds having the same formula and similar molecular structures, to differentiate between them. We used the CFM-ID 2.0/3.0 predictor with regard to (a) test compounds, whose experimental mass spectra had been randomly sampled from the MassBank of North America (MoNA) collection, and to (b) the most widespread isomers of test compounds searched in the PubChem database. In the first validation test, in silico mass spectra constitute a reference library, and library searches are performed for test experimental spectra of "unknowns". The searches led to the true positive rate (TPR) of ($46-48{\pm}10$)%. In the second test, in silico and experimental spectra were interchanged and this resulted in a TPR of ($58{\pm}10$)%. There were no significant differences between results obtained with different metrics of spectral similarity and predictor versions. In a comparison of test compounds vs. their isomers, a statistically significant correlation between mass spectral data and structural features was observed. The TPR values obtained should be regarded as reasonable results for predicting tandem mass spectra of related chemical structures.

Limit Load Formula for Pneumatic Transportation of Ribbon Type Material (띠형 물체의 기력수송(氣力輸送)을 위한 부하한계식(負荷限界式))

  • Lee, Chun Sik
    • The Magazine of the Society of Air-Conditioning and Refrigerating Engineers of Korea
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    • v.17 no.4
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    • pp.466-472
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    • 1988
  • Pneumatic transportation systems are operated most economically, if the transportation velocity is somewhat greater than the limit velocity. Therefore it is very important to find out this limit velocity. That is well known for coarse and fine particles, but not yet for long ribbon type material. In this study a formula for the mass ratio of transported material to air in limit load point is derived for ribbon type material from the pneumatic transportation theory and the model theory. A relationship for estimating the limit velocity is also found out through experiments. The possibility of the generalization of this formula, which is obtained from a given pneumatic transportation system, should be estimated through further systematic studies.

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Assessment of Daily steps, Activity coefficient, Body composition, Resting Energy Expenditure and Daily Energy Expenditure in Female University Students (여대생의 1일 보행수, 활동계수, 신체조성, 휴식대사량 및 에너지 소비량의 평가)

  • Choe, Hyeon-Jeong;Song, Ju-Mi;Kim, Eun-Gyeong
    • Journal of the Korean Dietetic Association
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    • v.11 no.2
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    • pp.159-169
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    • 2005
  • The purpose of this study was to assess the energy expenditure and investigate the relationship between related variables in 70 female university students. Resting energy expenditure estimated by Harris-Benedict formula, WHO/NAO/FAO formula and various formulas based on body weight and body surface area were 1366.9$\pm$74.4kcal/day, 1287.8$\pm$106.6kcal/day, 1171.4$\pm$155.8kcal/day and 1342.0$\pm$97.4kcal/day. Measured resting energy expenditure by indirect calorimetry(Model : Metavine and TrueOne2400) were 1582.0$\pm$150.1kcal/day and 1268.2$\pm$152.9kcal/day, respectively. Average step number per day was 11981.2$\pm$3014.4 steps and average step number per hour was 746.1$\pm$198.0 steps/hr. Daily energy expenditure by using Harris-Benedict formula, body weight formula, body surface area formula, WHO/NAO.FAO formula and 15-min check list formula were 2374.7$\pm$249.6kcal, 2033.5$\pm$313.2kcal, 2331.2$\pm$266.0kcal, 2240.8$\pm$185.5kcal and 2195.5$\pm$398.3kcal. Meanwhile energy intake of subjects was 1714.9$\pm$551.2 kcal. Daily energy expenditure has positive correlation(r=0.262) with daily step number. And there was significant positive correlations(r=0.35-0.68) between various daily energy expenditures and muscle mass. These results suggested that increase of daily step number by using pedometer is good method to increase daily energy expenditure. In particular, increase in step number can reinforce the amounts of muscle.

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Safety of a New Synbiotic Starter Formula

  • Vandenplas, Yvan;Analitis, Antonis;Tziouvara, Chara;Kountzoglou, Athina;Drakou, Anastasia;Tsouvalas, Manos;Mavroudi, Antigoni;Xinias, Ioannis
    • Pediatric Gastroenterology, Hepatology & Nutrition
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    • v.20 no.3
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    • pp.167-177
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    • 2017
  • Purpose: Breastfeeding is the best way to feed all infants, but not all infants can be (exclusively) breastfed. Cow's milk based infant formula is the second choice infant feeding. Methods: The safety of a new synbiotic infant formula, supplemented with Bifidobacterium lactis and fructo-oligosaccharides, with lactose and a whey/casein 60/40 protein ratio was tested in 280 infants during 3 months. Results: The median age of the infants at inclusion was 0.89 months. Weight evolution was in accordance with the World Health Organization growth charts for exclusive breastfed infants. The evolution of all anthropometric parameters (weight-for-length z score and body mass index-for-age z score) was within the normal range. The incidence of functional constipation (3.2%), daily regurgitation (10.9%), infantile crying and colic (10.5%) were all significantly lower than the reported median prevalence for a similar age according to literature (median value of 7.8% for functional constipation, 26.7% for regurgitation, 17.7% for infantile colic). Conclusion: The new synbiotic infant starter formula was safe, resulted in normal growth and was well tolerated. Functional gastro-intestinal manifestations (functional constipation, regurgitation and colic) were significantly lower than reported in literature. Synbiotics (Bifidobacterium lactis and fructo-oligosaccharides) in cow's milk based infant formula bring the second choice infant feeding, formula, closer to the golden standard, exclusive breastfeeding.

Clinical Use of Prescriptions Including Coptidis Rhizoma-Evodiae Fructus Pair (黃連-吳茱萸 藥對의 활용에 대한 고찰)

  • Joh, Hae-In;Kook, Yoon-Bum
    • Herbal Formula Science
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    • v.23 no.2
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    • pp.245-259
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    • 2015
  • Objectives : This study is intended to establish the areas of use of the major effects of Coptidis Rhizoma-Evodiae Fructus Pair in the Prescriptions. Methods : Prescriptions that include both Coptidis Rhizoma and Evodiae Fructus have been selected with the use of programs offered by http://www.koreantk.com, http://youl.net/data . This study compared and analyzed the main effects of the selected prescriptions. Results : Prescriptions that work on upper digestive system tend to have Coptidis Rhizoma to Evodiae Fructus ratio of 2:1~10:1, and Prescriptions that work on lower digestive system tend to have ratio of 1:1. When Coptidis Rhizoma takes up 50% or more of the total dose of the prescriptions, these prescriptions tend to have major effect on the upper digestive system, and when it takes less than 50%, these tend to have major effect on the lower digestive system on the contrary. Conclusions : The prescriptions based on Coptidis Rhizoma-Evodiae Fructus Pair have a tendency to treat digestive problems caused by mass of fever in Liver-system. On this basis, further studies are expected to unveil the effectiveness of these prescriptions on adult diseases.

A Study on Relationship Between RMR and Q System in Rock Mass Classification (암반분류에서 RMR과 Q System의 상관성 분석)

  • 안종필;박주원;박상도
    • Proceedings of the Korean Geotechical Society Conference
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    • 2000.11a
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    • pp.737-744
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    • 2000
  • This paper resorts to rock mass rating and rock mass quality to draw value based on the evaluation of rock and to draw interrelation formula in relation to rock mass quality, A comparative analysis was given of survey values reported in the existing documents. This paper has tried to find out the relationship between RMR and Q System for the sake of choosing rational reinforcing patterns and of the safety of tunnels. The results run as follow: RMR=8.251n(Q)+43.83. This paper has also tried to find out the relationship between RMR and Q System by using Fuzzy Approximate Reasoning Concept. We suggest that those in charge should not depend on a single system only after evaluating the classification of rocks, and compare one result with another for the good of keeping track of the condition of base rocks in a better way.

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Global Star Formation Efficiency of Local Galaxies

  • Shim, Hyunjin
    • Journal of the Korean earth science society
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    • v.34 no.5
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    • pp.407-414
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    • 2013
  • This study presents the global star formation efficiency (SFE) of 272 local star-forming galaxies based on the HI gas mass, stellar mass, star formation rate (SFR), and morphology. The SFE increases as the stellar mass increases while the specific SFR decreases. The SFE is enhanced for galaxies with large H$\acute{a}$ equivalent widths, which is primarily due to the large SFR, not due to the large available amount of gas. The SFE is also enhanced by a factor of ~2 for merging systems compared to the normal spirals, showing that the merger-induced high pressure and density environment are crucial for the active star formation. Based on the SFR scaling relation, I present a SFR calibration formula using the HI gas mass.

Advances in microalgal biomass/bioenergy production with agricultural by-products: Analysis with various growth rate models

  • Choi, Hee-Jeong;Lee, Seo-Yun
    • Environmental Engineering Research
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    • v.24 no.2
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    • pp.271-278
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    • 2019
  • Mass cultivation of microalgae is necessary to achieve economically feasible production of microalgal biodiesel. However, the high cost of nutrients is a major limitation. In this study, corncob extract (CCE) was used as an inorganic and organic nutrient source for the mass cultivation of Chlorella vulgaris (C. vulgaris). Chemical composition analysis of CCE revealed that it contained sufficient nutrients for mixotrophic cultivation of C. vulgaris. The highest specific grow rate of C. vulgaris was obtained at pH of 7-8, temperature of $25-30^{\circ}C$, and CCE amount of 5 g/L. In the analysis using various growth models, Luong model was found to be the most suitable empirical formula for mass cultivation of C. vulgaris using CCE. Analysis of biomass and production of triacyglycerol showed that microalgae grown in CCE medium produced more than 17.23% and 3% more unsaturated fatty acids than cells cultured in Jaworski's Medium. These results suggest that growing microalgae in CCE-supplemented medium can increase lipid production. Therefore, CCE, agricultural byproduct, has potential use for mass cultivation of microalgae.

Early Life Factors Influencing the Risk of Obesity

  • Lifschitz, Carlos
    • Pediatric Gastroenterology, Hepatology & Nutrition
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    • v.18 no.4
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    • pp.217-223
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    • 2015
  • The obesity epidemic is a worldwide problem. Factors predisposing to obesity include genetics, race, socioeconomic conditions, birth by cesarean section, and perinatal antibiotic use. High protein (HP) content in infant formulas has been identified as a potential culprit predisposing to rapid weight gain in the first few months of life and leading to later obesity. In a large multicountry study the effects of lower protein (LP) formula (1.77 and 2.2 g protein/100 kcal, before and after the 5th month, respectively) were compared to those of higher protein (2.9 and 4.4 g protein/100 kcal, respectively). Results indicated that at 24 months, the weight-for-length z score of infants in the LP formula group was 0.20 (0.06, 0.34) lower than that of the HP group and was similar to that of the breastfed reference group. The authors concluded that a HP content of infant formula is associated with higher weight in the first 2 years of life but has no effect on length. LP intake in infancy might diminish the later risk of overweight and obesity. At 6 years of age HP children had a significantly higher body mass index (by 0.51; 95% confidence interval [CI], 0.13-0.90; p=0.009) and a 2.43 (95% CI, 1.12-5.27; p=0.024) fold greater risk of becoming obese than those who received the LP. In conclusion, several factors may influence development of metabolic syndrome and obesity. Breastfeeding should always be encouraged. An overall reduction of protein intake in formula non breastfed infants seems to be an additional way to prevent obesity.

Analysis of Monoterpene Concentration Characteristics and Development of an Empirical Formula for Monoterpene in the Mixed Forest of the National Center for Forest Therapy (국립산림치유원 혼효림에서의 모노테르펜 농도 특성 분석 및 추정식 개발)

  • Hyo-Jung Lee;Young-Hee Lee
    • Atmosphere
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    • v.34 no.2
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    • pp.187-202
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    • 2024
  • We analyzed the observed characteristics of monoterpene and developed an empirical formula for monoterpene concentration in the pine-dominated mixed forest of the National Center for Forest Therapy. Monoterpene was measured at 0800, 1200 and 1700 LST once a month using sorbent tube sampling coupled with thermal desorption gas chromatography and mass spectrometry. Monoterpene concentration is low in winter and shows a maximum in June and July. The major components of monoterpene are alpha-pinene, camphene and beta-pinene. During the warm period from May to November, monoterpene concentration is higher at 0800 and 1700 LST than at 1200 LST. The empirical formula takes into account the vegetation variables, temperature-controlled emission, oxidation processes and dilution by wind. The vegetation variable accounts for the difference in observed monoterpene concentration between two sites. The observed monoterpene concentration normalized by the vegetation variable increases exponentially with air temperature. The oxidation process explains the lower monoterpene concentration at 1200 LST than at 0800 and 1700 LST during the warm period. The monoterpene estimates using the empirical formula shows a correlation of 0.52 with the observation for the development period (2018~2020), while it shows a correlation of 0.72 for the validation year (2021). Such higher correlation for the validation year than for the development period is due to the fact that variability of monoterpene concentration is better explained by air temperature in 2021 than in the development period. However, the developed formula underestimates the monoterpene concentration in May and June, showing the limitation in accurately capturing the monthly variation of monoterpene.