Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

Polar Lipids Reduce In Vitro Duodenal Lipolysis Rate of Oat Oil and Liquid Oat Base Products

Alternative ways for increased appetite control are today widely sought for due to the growing global health issues connected to obesity. In in vivo studies, oat has been proven an attractive candidate for inducing satiety. Oat is rich in polar lipids, of which the galactolipids are especially interesting, and a hypothesis is that these lipids play an important role for the ileal brake mechanism. In this study, the aim is to investigate the role of polar oat lipids on pancreatic lipolysis rate, using a pH-stat based in vitro digestion model of the duodenum. Lipolysis of oat oil, a mix of oat oil/rapeseed oil (RSO), as well as a liquid oat base (OB) simulating an oat drink with different polar lipid content are investigated, and compared with RSO as control. Increasing the polar lipid content of the product digested leads to a significantly decreased lipolysis rate, and this effect is even observed when mixing RSO with a low amount of oat oil (10%). The results support the hypothesis that polar lipids can delay lipolysis also in a complex, natural system like the liquid OB, and even a minor amount of oat lipids can have large effect on lipolysis rates. Practical applications: The number of studies connecting galactolipids with a decreasing effect on duodenal lipolysis is growing; however, the mechanism behind this phenomenon is still not clarified. Here, the same effect is seen in a complex, natural food system. These findings open up for interesting future food products, where inclusion of oat oil, even at low concentrations, can have a prolonging effect on satiety. Oat for human consumption is an increasing market, thanks to the positive health benefits oat has been connected to, in combination with the current trend toward climate-friendly plant-based options for meat and dairy products. It is believed that oat oil can be attractive as an ingredient in various food products, for example, protein bars and spreads. More studies are needed to confirm the results in vivo. However, a great potential is seen for the use of oat oil to enhance appetite control.     

固定化生物硅藻土强化CAST工艺处理含盐污水研究

采用9%聚乙烯醇+0.5%海藻酸钠包埋耐盐菌群的固定化生物硅藻土小球投加到循环式活性污泥(CAST)反应器中,对比传统CAST工艺和投加固定化小球的CAST工艺对含盐污水COD和氨氮的去除效果,考察固定化生物硅藻土小球强化CAST工艺处理含盐污水性能。试验结果表明:在相同运行条件下,投加固定化生物硅藻土小球的CAST工艺出水COD、氨氮去除率基本维持在88%和90%以上,与传统CAST工艺相比分别提高了15%和10%。同时,向CAST工艺添加固定化生物硅藻土有助于维持反应器中微生物浓度稳定,提高出水水质及其稳定性。     

Ferroelectric Exchange Bias Affects Interfacial Electronic States

In polar oxide interfaces phenomena such as superconductivity, magnetism, 1D conductivity, and quantum Hall states can emerge at the polar discontinuity. Combining controllable ferroelectricity at such interfaces can affect the superconducting properties and sheds light on the mutual effects between the polar oxide and the ferroelectric oxide. Here, the interface between the polar oxide LaAlO₃ and the ferroelectric Ca-doped SrTiO₃ is studied by means of electrical transport combined with local imaging of the current flow with the use of scanning a superconducting quantum interference device (SQUID). Anomalous behavior of the interface resistivity is observed at low temperatures. The scanning SQUID maps of the current flow suggest that this behavior originates from an intrinsic bias induced by the polar LaAlO₃ layer. Such intrinsic bias combined with ferroelectricity can constrain the possible structural domain tiling near the interface. The use of this intrinsic bias is recommended as a method of controlling and tuning the initial state of ferroelectric materials by the design of the polar structure. The hysteretic dependence of the normal and the superconducting state properties on gate voltage can be utilized in multifaceted controllable memory devices.     

Spectral Animation Compression

This paper presents a spectral approach to compress dynamic animation consisting of a sequence of homeomor-phic manifold meshes. Our new approach directly compresses the field of deformation gradient d...     

糖蜜及其发酵制品的应用研究进展

糖蜜是制糖工业的副产物。对甘蔗糖蜜、甜菜糖蜜、大豆糖蜜、柑橘糖蜜、石榴糖蜜的来源、成分及它们在各自相关领域的应用进行了简要概括,重点综述了以糖蜜为微生物发酵底物,生产相关活性物质的研究进展以及它们的相关作用,旨在为其在医药、食品、化妆品等领域的应用提供参考依据。     

微生物源单宁酶的研究进展

单宁酶可将单宁水解成没食子酸和葡萄糖，是一种重要的工业用酶。植物、动物和微生物中都含单宁酶，其中微生物是单宁酶的主要来源。基于单宁酶的国内外研究成果，该文归纳总结了不同微生物来源的单宁酶、酶学性质、作用机制，阐述了单宁酶在食品、饲料、制革、精细化工等实际生产中的应用，并对单宁酶今后的研究方向和应用前景进行了展望。     

Invited review: Plant polyphenols and rumen microbiota responsible for fatty acid biohydrogenation,fiber digestion,and methane emission: Experimental evidence and methodological approaches

The interest of the scientific community in the effects of plant polyphenols on animal nutrition is increasing. These compounds, in fact, are ubiquitous in the plant kingdom, especially in some spontaneous plants exploited as feeding resources alternative to cultivated crops and in several agro-industry by-products. Polyphenols interact with rumen microbiota, affecting carbohydrate fermentation, protein degradation, and lipid metabolism. Some of these aspects have been largely reviewed, especially for tannins; however, less information is available about the direct effect of polyphenols on the composition of rumen microbiota. In the present paper, we review the most recent literature about the effect of plant polyphenols on rumen microbiota responsible for unsaturated fatty acid biohydrogenation, fiber digestion, and methane production, taking into consideration the advances in microbiota analysis achieved in the last 10 yr. Key aspects, such as sample collection, sample storage, DNA extraction, and the main phylogenetic markers used in the reconstruction of microbial community structure, are examined. Furthermore, a summary of the new high-throughput methods based on next generation sequencing is reviewed. Several effects can be associated with dietary polyphenols. Polyphenols are able to depress or modulate the biohydrogenation of unsaturated fatty acids by a perturbation of ruminal microbiota composition. In particular, condensed tannins have an inhibitory effect on biohydrogenation, whereas hydrolyzable tannins seem to have a modulatory effect on biohydrogenation. With regard to fiber digestion, data from literature are quite consistent about a general depressive effect of polyphenols on gram-positive fibrolytic bacteria and ciliate protozoa, resulting in a reduction of volatile fatty acid production (mostly acetate molar production). Methane production is also usually reduced when tannins are included in the diet of ruminants, probably as a consequence of the inhibition of fiber digestion. However, some evidence suggests that hydrolyzable tannins may reduce methane emission by directly interacting with rumen microbiota without affecting fiber digestion.     

Impact of Canolol‐Enriched Extract from Heat‐Treated Canola Meal to Enhance Oil Quality Parameters in Deep‐Frying: a Comparison with Rosemary Extract and TBHQ‐Fortified Oil Systems

Canolol‐enriched extracts obtained from the extraction of fluidized bed treated canola meal with supercritical carbon dioxide were added to high‐oleic canola oil in different concentrations (200, 500 and 750 mg/kg). After 30 h of deep‐fat frying, oils fortified with canolol‐enriched extracts showed a two to three times better frying performance in comparison to the commonly used antioxidants (TBHQ, 200 mg/kg; rosemary extract, 40 and 200 mg/kg) and a control without antioxidants with regards to the formation of di‐ and polymer triacylglycerols, total polar compounds, secondary degradation products (anisidine value) and the iodine value. The canolol‐enriched extracts were also able to slow down the degradation of α‐ and γ‐tocopherol during frying resulting in significant amounts of tocopherols after 30 h of frying in comparison to the other oils. The influence of the canolol‐enriched extracts indicated strongly concentration‐dependent performance. With increasing concentration of the extract, the thermal stability of the fortified oil was improved. The only disadvantage of the addition of the extracts was an increase in the initial acid value, but within the frying time, only oil fortified with 750 mg canolol‐enriched extract/kg reached the limit given in different countries.     

提高微生物抗逆性技术的研究进展

微生物体内存在多种抗逆基因或机制,这些机制的发现为定向提高微生物的抗逆性奠定了基础。提高微生物抗逆性的技术主要有过表达抗逆基因,长期适应性进化, genome shuffling（基因组改组）和异源表达抗逆基因等。利用这几种技术增强微生物的抗逆性,在以微生物为主的工业生产和环境污染物降解方面有着广阔的应用前景。