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Many-body potential for simulating the self-assembly of polymer-grafted nanoparticles in a polymer matrix

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npj Computational Materials 2023年第1期9卷 71-84页

作者： Yilong Zhou sigbjørn Løland Bore Andrea R.Tao Francesco Paesani Gaurav Arya Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Materials Science Division Lawrence Livermore National LaboratoryLivermoreCA 94550USA Department of Chemistry and Biochemistry University of CaliforniaSan DiegoLa JollaCA 92093USA Department of Chemical and NanoEngineering University of CaliforniaSan DiegoLa JollaCA 92023USA

Many-body interactions between polymer-grafted nanoparticles(NPs)play a key role in promoting their assembly into low-dimensional structures within polymer melts,even when the particles are spherical and isotropically ***,capturing such interactions in simulations of NP assembly is very challenging because explicit modeling of the polymer grafts and melt chains is highly computationally expensive,even using coarse-grained ***,we develop a many-body potential for describing the effective interactions between spherical polymer-grafted NPs in a polymer matrix through a machine-learning *** approach involves using permutationally invariant polynomials to fit two-and three-body interactions derived from the potential of mean force *** potential developed here reduces the computational cost by several orders of magnitude,thereby,allowing us to explore assembly behavior over large length and time *** show that the potential not only reproduces previously known assembled phases such as 1D strings and 2D hexagonal sheets,which generally cannot be achieved using isotropic two-body potentials,but can also help discover interesting phases such as networks,clusters,and *** demonstrate how each of these assembly morphologies intrinsically arises from a competition between two-and three-body *** approach for deriving many-body effective potentials can be readily extended to other colloidal systems,enabling researchers to make accurate predictions of their behavior and dissect the role of individual interaction energy terms of the overall potential in the observed behavior.

关键词： grafted polymer potential

Violent collisions can reveal hexadecapole deformation of nuclei

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Nuclear Science and Techniques 2024年第7期35卷 1-3页

作者： Björn Schenke Physics Department Brookhaven National LaboratoryUptonNY 11973USA

A new observable in heavy ion collision experiments was identified to be sensitive to the hexadecapole deformation of the colliding *** deformation is difficult to measure in traditional nuclear electric transition measurements,as it is often overwhelmed by the nuclear quadrupole *** opens the door to gain new insight into nuclear structure with experiments that were designed to study hot and dense nuclear matter.

关键词： deformation collision insight

Norwegian oil and gas storage in rock caverns-Technology based on experience from hydropower development

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Journal of Rock Mechanics and Geotechnical Engineering 2021年第2期13卷 479-486页

作者： Bjørn Nilsen Department of Geoscience and Petroleum Norwegian University of Science and Technology(NTNU)TrondheimNorway

Underground storage in rock caverns is widely used in Norway for many different petroleum products,such as crude oil,fuel,propane and ***,the caverns for such storages are unlined,*** is ensured without using any steel lining or *** main basis for the storage technology originates from the extensive hydropower development in *** part of this activity,about 4500 km of tunnels and shafts have been excavated,and around 200 large powerhouse caverns have been *** hydropower tunnels are mainly unlined,with hydrostatic water pressure on unlined rock of up to 1000 *** of the projects also include air cushion chambers with volumes of up to 1×10^(5)m^(3)and air pressure up to 7.7 *** lessons which are valuable also for underground oil and gas storage have been learnt from these *** a storage project to become successful,systematic,well planned design and ground investigation procedures are *** main steps of the design procedure are first to define the optimum location of the project,and then to optimize orientation,shape/geometry and dimensions of caverns and *** part of the procedure,ground investigations have to be carried out at several steps integrated with the progress of *** investigation and design procedures,and the great significance of these for the project to become successful will be *** examples of oil and gas storage in unlined rock caverns are given,illustrating the relevancy of experience from high-pressure hydropower projects for planning and design of unlined caverns for oil and gas storage.

关键词： Underground storage Oil Gas Liquefied petroleum gas(LPG) Hydropower Air cushion chamber

Influence of amphiphilic structures on the stability of polyphenols with different hydrophobicity

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Science China Chemistry 2007年第1期50卷 121-126页

作者： Bergensthl BJrn Food Technology Center for Chemistry and Chemical EngineeringLund UniversityPO Box 124S-22100LundSweden

Autooxidation of five polyphenols representing range of different hydrophobicities(catechin gallate (CG),(-)catechin((-)C),epicatechin(EC),epigallocatechin gallate(EGCG)and epigallocatechin(EGC)) in three different aqueous solutions:molecular solution,micellar solution(Tween-20)and liposomal dispersion(soybean lecithin)was monitored by *** rate of oxidation of the five polyphenols was higher at pH 4.5 than at pH *** with the control,addition of Tween-20(micellar structure)and lecithin(liposomal structure)significantly decreased the degradation of *** the presence of lecithin the autooxidation of all the five polyphenols was slower than in the presence of Tween-20. The effective protection of the colloidal structures was compared with the hydrophobicity of the poly- phenols estimated from the partitioning between octanol and *** protection from oxidation in the presence of the colloidal structures(micellar or liposomal)increased with increasing partitioning of a polyphenol towards the hydrophobic *** protecting effect of the colloidal structures was more effective at pH 4.5 than at pH 3.5.

关键词： amphiphilic structures autooxidation polyphenols K value effective protection

Diagnosis and treatment of pancreatic exocrine insufficiency

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World Journal of Gastroenterology 2013年第42期19卷 7258-7266页

作者： Bjrn Lindkvist Institute of Medicine Sahlgrenska AcademyUniversity of GothenburgSE-413 45 GothenburgSweden Division of Gastroenterology and Hepatology Department of Internal MedicineSahlgrenska University HospitalSE-413 45 GothenburgSweden

Pancreatic exocrine insufficiency is an important cause of maldigestion and a major complication in chronic *** digestion requires adequate stimulation of pancreatic secretion,sufficient production of digestive enzymes by pancreatic acinar cells,a pancreatic duct system without significant outflow obstruction and adequate mixing of the pancreatic juice with ingested *** in any of these steps may result in pancreatic exocrine insufficiency,which leads to steatorrhea,weight loss and malnutrition-related complications,such as *** evaluating digestion,such as fecal fat quantification and the13C-mixed triglycerides test,are the most accurate tests for pancreatic exocrine insufficiency,but the probability of the diagnosis can also be estimated based on symptoms,signs of malnutrition in blood tests,fecal elastase 1 levels and signs of morphologically severe chronic pancreatitis on *** for pancreatic exocrine insufficiency includes support to stop smoking and alcohol consumption,dietary consultation,enzyme replacement therapy and a structured follow-up of nutritional status and the effect of *** enzyme replacement therapy is administered in the form of enteric-coated minimicro-spheres during *** dose should be in proportion to the fat content of the meal,usually 40-50000 lipase units per main meal,and half the dose is required for a *** cases that do not respond to initial treatment,the doses can be doubled,and proton inhibitors can be added to the *** review focuses on current concepts of the diagnosis and treatment of pancreatic exocrine insufficiency.

关键词： Chronic pancreatitis Pancreatic exocrine insufficiency Pancreatic enzyme replacement therapy

Is a catalyst always beneficial in plasma catalysis? Insights from the many physical and chemical interactions

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Journal of Energy Chemistry 2023年第10期85卷 501-533,I0013页

作者： Björn Loenders Roel Michiels Annemie Bogaerts Research group PLASMANT Department of ChemistryUniversity of AntwerpUniversiteitsplein 1B-2610 Wilrijk-AntwerpBelgium

Plasma-catalytic dry reforming of CH_(4)(DRM) is promising to convert the greenhouse gasses CH_(4) and CO_(2) into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products,because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex,as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, high-lighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic ***, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for im

关键词： Plasma catalysis Dry reforming of methane Discharges Reaction kinetics Modelling

Freedom and the Ibsen Stage

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外国文学研究 2005年第5期27卷 31-36页

作者： AsbjФrn Aarseth Scandinavian literature at the University of Ber-gen since

To some extent Ibsen’s career as a dramatist was conditioned by the physical limitations of the theatre buildings. He succeeded in turning these limitations to his advantage. Through dialogue and scenography he tried to achieve a longing in the audience to see the characters succeed in getting out of oppressive, prisonlike conditions. Gradually concentrating the action in the narrow room, he succeeded in achieving the effect of claustrophobia particularly in his work in the years 1877-86. After that he experimented in bringing the basic narrowness out in the open air scenography in 1888 with The Lady from the Sea. In Hedda Gabler and partly in John Gabriel Borkman he returned to the interior stage, but in the rest of the 1890s he preferred to situate some or most of the action in the open air. This selfimposed constriction is capable of producing an intense experience exactly because the urge to be free is amplified by the physical narrowness. Consequently it has proved difficult to make a successful movie on the basis of a modern prose play by Ibsen. The moving camera tends to dissolve the spatial limitations.

关键词：易卜生国际学术研讨会挪威 2005年文学研究

Solanaceae pangenomes are coming of graphical age to bring heritability back

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aBIOTECH 2022年第4期3卷 233-236页

作者： Björn Usadel Institute for Biological Data Science CEPLASHeinrich Heine UniversityDüsseldorfGermany IBG-4 Bioinformatics BioSCForschungszentrum JülichJülichGermany

Two recent articles describe a pangenome of potato and a graph-based pangenome for tomato,*** latter improves our understanding of the tomato genomics architecture even further and the use of this graph-based pangenom... 详细信息

关键词： Tomato Potato Pangenome Graph-based pangenome Heritability

More abundant and healthier meat:will the MSTN editing epitome empower the commercialization of gene editing in livestock?

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Science China(Life Sciences) 2022年第2期65卷 448-450页

作者： Xiaolong Wang Björn Petersen Key Laboratory of Animal Genetics Breeding and Reproduction of Shaanxi ProvinceCollege of Animal Science and TechnologyNorthwest A&F UniversityYangling 712110China Institute of Farm Animal Genetics Friedrich-Loeffler-Institute(FLI)Mariensee 31535Germany

In recent years,various gene-edited crops and livestock have been developed to find rapid and unconventional solutions to boost agriculture,animal breeding,environmental sustain-ability,and animal *** the animal production field,significant gene-edited livestock with economic beneficial traits,like the MSTN-edited double muscles,can be com-mercialized on a large scale to benefit more people with real *** demand for animal proteins increases an-nually with improvement of living conditions in modern societies and developing ***,the number of people with special needs for healthier meat(with high-protein and low-fat)is growing(e.g.,elderly patients with cardio/cerebrovascular diseases).With steady global en-vironmental deterioration,increasing human population,growing food demand,continuous disease outbreaks,and concerns regarding animal welfare。

关键词： abundant crops breeding

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