Automated Feature Mining for Two-Dimensional Liquid Chromatography Applied to Polymers Enabled by Mass Remainder Analysis

A fast algorithm for automated feature mining of synthetic (industrial) homopolymers or perfectly alternating copolymers was developed. Comprehensive two-dimensional liquid chromatography-mass spectrometry data (LC × LC-MS) was utilized, undergoing four distinct parts within the algorithm. Initially, the data is reduced by selecting regions of interest within the data. Then, all regions of interest are clustered on the time and mass-to-charge domain to obtain isotopic distributions. Afterward, single-value clusters and background signals are removed from the data structure. In the second part of the algorithm, the isotopic distributions are employed to define the charge state of the polymeric units and the charge-state reduced masses of the units are calculated. In the third part, the mass of the repeating unit (i.e., the monomer) is automatically selected by comparing all mass differences within the data structure. Using the mass of the repeating unit, mass remainder analysis can be performed on the data. This results in groups sharing the same end-group compositions. Lastly, combining information from the clustering step in the first part and the mass remainder analysis results in the creation of compositional series, which are mapped on the chromatogram. Series with similar chromatographic behavior are separated in the mass-remainder domain, whereas series with an overlapping mass remainder are separated in the chromatographic domain. These series were extracted within a calculation time of 3 min. The false positives were then assessed within a reasonable time. The algorithm is verified with LC × LC-MS data of an industrial hexahydrophthalic anhydride-derivatized propylene glycol-terephthalic acid copolyester. Afterward, a chemical structure proposal has been made for each compositional series found within the data

Properties of generalized univariate hypergeometric functions

Based on Spiridonov's analysis of elliptic generalizations of the Gauss hypergeometric function, we develop a common framework for 7-parameter families of generalized elliptic, hyperbolic and trigonometric univariate hypergeometric functions. In each case we derive the symmetries of the generalized hypergeometric function under the Weyl group of type E_7 (elliptic, hyperbolic) and of type E_6 (trigonometric) using the appropriate versions of the Nassrallah-Rahman beta integral, and we derive contiguous relations using fundamental addition formulas for theta and sine functions. The top level degenerations of the hyperbolic and trigonometric hypergeometric functions are identified with Ruijsenaars' relativistic hypergeometric function and the Askey-Wilson function, respectively. We show that the degeneration process yields various new and known identities for hyperbolic and trigonometric special functions. We also describe an intimate connection between the hyperbolic and trigonometric theory, which yields an expression of the hyperbolic hypergeometric function as an explicit bilinear sum in trigonometric hypergeometric functions.Comment: 46 page

Improving Access to Mental Health Care and Psychosocial Support within a Fragile Context: A Case Study from Afghanistan

As one article in a series on Global Mental Health Practice, Peter Ventevogel and colleagues provide a case study of their efforts to integrate brief, practice-oriented mental health training into the Afghanistan health care system at a time when the system was being rebuilt from scratch

Ergodicity criteria for non-expanding transformations of 2-adic spheres

In the paper, we obtain necessary and sufficient conditions for ergodicity (with respect to the normalized Haar measure) of discrete dynamical systems $$ on 2-adic spheres $\mathbf S_{2^{-r}}(a)$ of radius $2^{-r}$, $r\ge 1$, centered at some point $a$ from the ultrametric space of 2-adic integers $\mathbb Z_2$. The map $f\colon\mathbb Z_2\to\mathbb Z_2$ is assumed to be non-expanding and measure-preserving; that is, $f$ satisfies a Lipschitz condition with a constant 1 with respect to the 2-adic metric, and $f$ preserves a natural probability measure on $\mathbb Z_2$, the Haar measure $\mu_2$ on $\mathbb Z_2$ which is normalized so that $\mu_2(\mathbb Z_2)=1$

Prevalences of hyperhomocysteinemia, unfavorable cholesterol profile and hypertension in European populations

Item does not contain fulltextBACKGROUND: Hyperhomocysteinemia (HHCY) is a risk factor for cardiovascular diseases (CVD). HHCY may interact with hypertension (HTEN) and an unfavorable cholesterol profile (UNFAVCHOL) to alter the risk of CVD. OBJECTIVES: To estimate the prevalences of HHCY (1) isolated and (2) in combination with UNFAVCHOL and/or HTEN in different age categories. To provide information that may improve the screening and treatment of subjects at risk of CVD. DESIGN: Cross-sectional data on 12,541 men and 12,948 women aged 20 + y were used from nine European studies. RESULTS: The prevalence of isolated HHCY was 8.5% in subjects aged 20-40 y, 4.7% in subjects aged 40-60 y and 5.9% in subjects aged over 60 y. When combining all age groups, 5.3% had isolated HHCY and an additional 5.6% had HHCY in combination with HTEN and/or UNFAVCHOL. The combinations of risk factors increased with age and, except for HHCY&UNFAVCHOL, were more prevalent than predicted by chance. Of the young subjects (20-40 y), 24% suffered from one or more of the investigated CVD risk factors. This figure was 75.1% in the old subjects (60+ years). CONCLUSIONS: A substantial number of subjects in selected European populations have HHCY (10.9%). In half of these cases, subjects suffer also from other CVD risk factors like UNFAVCHOL and HTEN. Older people in particular tend to have more than one risk factor. Healthcare professionals should be aware of this when screening and treating older people not only for the conventional CVD risk factors like UNFAVCHOL and HTEN but also HHCY, as this can easily be reduced through increased intake of folic acid via supplement or foods fortified with folic acid

Dietary methyl donors, methyl metabolizing enzymes, and epigenetic regulators: diet–gene interactions and promoter CpG island hypermethylation in colorectal cancer

Dietary methyl donors might influence DNA methylation during carcinogenesis of colorectal cancer (CRC). Among 609 CRC cases and 1,663 subcohort members of the Netherlands Cohort Study on diet and cancer (n = 120,852), we estimated CRC risk according to methyl donor intake across genotypes of folate metabolizing enzymes and methyltransferases

Meromorphic tensor equivalence for Yangians and quantum loop algebras

Let ${\mathfrak g}$ be a complex semisimple Lie algebra, and $Y_h({\mathfrak g})$, $U_q(L{\mathfrak g})$ the corresponding Yangian and quantum loop algebra, with deformation parameters related by $q=\exp(\pi i h)$. When $h$ is not a rational number, we constructed in arXiv:1310.7318 a faithful functor $\Gamma$ from the category of finite-dimensional representations of $Y_h ({\mathfrak g})$ to those of $U_q(L{\mathfrak g})$. The functor $\Gamma$ is governed by the additive difference equations defined by the commuting fields of the Yangian, and restricts to an equivalence on a subcategory of $Y_h({\mathfrak g})$ defined by choosing a branch of the logarithm. In this paper, we construct a tensor structure on $\Gamma$ and show that, if $|q|\neq 1$, it yields an equivalence of meromorphic braided tensor categories, when $Y_h({\mathfrak g})$ and $U_q(L{\mathfrak g})$ are endowed with the deformed Drinfeld coproducts and the commutative part of the universal $R$-matrix. This proves in particular the Kohno-Drinfeld theorem for the abelian $q$KZ equations defined by $Y_h({\mathfrak g})$. The tensor structure arises from the abelian $q$KZ equations defined by a appropriate regularisation of the commutative $R$-matrix of $Y_h({\mathfrak g})$.Comment: Title changed, details added. 67 pages, 1 figure. Final version, to appear in Publ. Math IHE