283 research outputs found
Near-zero-field nuclear magnetic resonance
We investigate nuclear magnetic resonance (NMR) in near-zero-field, where the
Zeeman interaction can be treated as a perturbation to the electron mediated
scalar interaction (J-coupling). This is in stark contrast to the high field
case, where heteronuclear J-couplings are normally treated as a small
perturbation. We show that the presence of very small magnetic fields results
in splitting of the zero-field NMR lines, imparting considerable additional
information to the pure zero-field spectra. Experimental results are in good
agreement with first-order perturbation theory and with full numerical
simulation when perturbation theory breaks down. We present simple rules for
understanding the splitting patterns in near-zero-field NMR, which can be
applied to molecules with non-trivial spectra.Comment: 5 pages, 5 figure
Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones
An Introduction to Neural Data Compression
Neural compression is the application of neural networks and other machine
learning methods to data compression. Recent advances in statistical machine
learning have opened up new possibilities for data compression, allowing
compression algorithms to be learned end-to-end from data using powerful
generative models such as normalizing flows, variational autoencoders,
diffusion probabilistic models, and generative adversarial networks. The
present article aims to introduce this field of research to a broader machine
learning audience by reviewing the necessary background in information theory
(e.g., entropy coding, rate-distortion theory) and computer vision (e.g., image
quality assessment, perceptual metrics), and providing a curated guide through
the essential ideas and methods in the literature thus far
Discovery of Sexual Dimorphisms in Metabolic and Genetic Biomarkers
Metabolomic profiling and the integration of whole-genome genetic association data has proven to be a powerful tool to comprehensively explore gene regulatory networks and to investigate the effects of genetic variation at the molecular level. Serum metabolite concentrations allow a direct readout of biological processes, and association of specific metabolomic signatures with complex diseases such as Alzheimer's disease and cardiovascular and metabolic disorders has been shown. There are well-known correlations between sex and the incidence, prevalence, age of onset, symptoms, and severity of a disease, as well as the reaction to drugs. However, most of the studies published so far did not consider the role of sexual dimorphism and did not analyse their data stratified by gender. This study investigated sex-specific differences of serum metabolite concentrations and their underlying genetic determination. For discovery and replication we used more than 3,300 independent individuals from KORA F3 and F4 with metabolite measurements of 131 metabolites, including amino acids, phosphatidylcholines, sphingomyelins, acylcarnitines, and C6-sugars. A linear regression approach revealed significant concentration differences between males and females for 102 out of 131 metabolites (p-values<3.8 x 10(-4); Bonferroni-corrected threshold). Sex-specific genome-wide association studies (GWAS) showed genome-wide significant differences in beta-estimates for SNPs in the CPS1 locus (carbamoyl-phosphate synthase 1, significance level: p<3.8 x 10(-10); Bonferroni-corrected threshold) for glycine. We showed that the metabolite profiles of males and females are significantly different and, furthermore, that specific genetic variants in metabolism-related genes depict sexual dimorphism. Our study provides new important insights into sex-specific differences of cell regulatory processes and underscores that studies should consider sex-specific effects in design and interpretation
Guidelines for the design, conduct and reporting of human intervention studies to evaluate the health benefits of foods
There is substantial evidence to link what we eat to the reduction of the risk of major chronic diseases and/or the improvement of functions. Thus, it is important for public health agencies and the food industry to facilitate the consumption of foods with particular health benefits by providing consumer products and messages based on scientific evidence. Although fragmentary advice is available from a range of sources, there is a lack of comprehensive scientific guidelines for the design, conduct and reporting of human intervention studies to evaluate the health benefits of foods. Such guidelines are needed both to support nutrition science in general, and to facilitate the substantiation of health claims. In the present study, which presents the consensus view of an International Life Sciences Institute Europe Expert Group that included senior scientists from academia and industry, the term ‘foods' refers to foods, dietary supplements and food constituents, but not to whole diets. The present study is based on an initial survey of published papers, which identified the range and strengths and weaknesses of current methodologies, and was finalised following exchanges between representatives from industry, academia and regulatory bodies. The major factors involved in the design, conduct and reporting of studies are identified, summarised in a checklist table that is based on the Consolidated Standards of Reporting Trials guidelines, and elaborated and discussed in the tex
Discovery of Sexual Dimorphisms in Metabolic and Genetic Biomarkers
Metabolomic profiling and the integration of whole-genome genetic association data has proven to be a powerful tool to comprehensively explore gene regulatory networks and to investigate the effects of genetic variation at the molecular level. Serum metabolite concentrations allow a direct readout of biological processes, and association of specific metabolomic signatures with complex diseases such as Alzheimer's disease and cardiovascular and metabolic disorders has been shown. There are well-known correlations between sex and the incidence, prevalence, age of onset, symptoms, and severity of a disease, as well as the reaction to drugs. However, most of the studies published so far did not consider the role of sexual dimorphism and did not analyse their data stratified by gender. This study investigated sex-specific differences of serum metabolite concentrations and their underlying genetic determination. For discovery and replication we used more than 3,300 independent individuals from KORA F3 and F4 with metabolite measurements of 131 metabolites, including amino acids, phosphatidylcholines, sphingomyelins, acylcarnitines, and C6-sugars. A linear regression approach revealed significant concentration differences between males and females for 102 out of 131 metabolites (p-values<3.8 x 10(-4); Bonferroni-corrected threshold). Sex-specific genome-wide association studies (GWAS) showed genome-wide significant differences in beta-estimates for SNPs in the CPS1 locus (carbamoyl-phosphate synthase 1, significance level: p<3.8 x 10(-10); Bonferroni-corrected threshold) for glycine. We showed that the metabolite profiles of males and females are significantly different and, furthermore, that specific genetic variants in metabolism-related genes depict sexual dimorphism. Our study provides new important insights into sex-specific differences of cell regulatory processes and underscores that studies should consider sex-specific effects in design and interpretation
Controlling a magnetic Feshbach resonance with laser light
The capability to tune the strength of the elastic interparticle interaction
is crucial for many experiments with ultracold gases. Magnetic Feshbach
resonances are a tool widely used for this purpose, but future experiments
would benefit from additional flexibility such as spatial modulation of the
interaction strength on short length scales. Optical Feshbach resonances offer
this possibility in principle, but suffer from fast particle loss due to
light-induced inelastic collisions. Here we show that light near-resonant with
a molecular bound-to-bound transition can be used to shift the magnetic field
at which a magnetic Feshbach resonance occurs. This makes it possible to tune
the interaction strength with laser light and at the same time induce
considerably less loss than an optical Feshbach resonance would do
Microspectroscopy on Thin Films of Colloidal Mixture Gradients for Data-Driven Optimization of Optical Properties
A wind tunnel investigation into the aerodynamics of lobed hailstones
The complex surface geometries of hailstones affect their fall behavior, fall speeds, and growth. Systematic experimental investigations on the influence of the number and length of lobes on the fall velocity and the drag coefficient of hailstones were performed in the Mainz vertical wind tunnel to provide relationships for use in numerical models. For this purpose, 3D prints of four artificial lobed hailstone models as well as spheres were used. The derived drag coefficients show no dependency in the Reynolds number in the range between 25,000 and 85,000. Further, the drag coefficients were found to increase with increasing length of lobes. All lobed hailstones show higher or similar drag coefficients than spheres. The terminal velocities of the the hailstones with short lobes are very close to each other and only reduced by about 6% from those of a sphere. The terminal velocities from the long lobed hailstones deviate up to 21% from a sphere. The results indicate that lobes on the surface of hailstones reduce their kinetic energy by a factor of up to 3 compared to a sphere. This has important consequences for the estimation of the destructive potential of hailstones
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Prebiotic supplementation of In Vitro fecal fermentations inhibits proteolysis by gut bacteria, and host diet shapes gut bacterial metabolism and response to intervention
Metabolism of protein by gut bacteria is potentially detrimental due to the production of toxic metabolites, such as ammonia, amines, p-cresol, and indole. The consumption of prebiotic carbohydrates results in specific changes in the composition and/or activity of the microbiota that may confer benefits to host well-being and health. Here, we have studied the impact of prebiotics on proteolysis within the gut in vitro. Anaerobic stirred batch cultures were inoculated with feces from omnivores (n = 3) and vegetarians (n = 3) and four protein sources (casein, meat, mycoprotein, and soy protein) with and without supplementation by an oligofructose-enriched inulin. Bacterial counts and concentrations of short-chain fatty acids (SCFA), ammonia, phenol, indole, and p-cresol were monitored during fermentation. Addition of the fructan prebiotic Synergy1 increased levels of bifidobacteria (P = 0.000019 and 0.000013 for omnivores and vegetarians, respectively). Branched-chain fatty acids (BCFA) were significantly lower in fermenters with vegetarians’ feces (P = 0.004), reduced further by prebiotic treatment. Ammonia production was lower with Synergy1. Bacterial adaptation to different dietary protein sources was observed through different patterns of ammonia production between vegetarians and omnivores. In volunteer samples with high baseline levels of phenol, indole, p-cresol, and skatole, Synergy1 fermentation led to a reduction of these compounds
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