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All-hydrocarbon,all-conjugated cycloparaphenylene-polycyclic aromatic hydrocarbon host–guest complexes stabilized by CH–πinteractions

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Nano Research 2022年第6期15卷 5545-5555页

作者： Hyejin Kwon Carson.J.Bruns Paul M.Rady Department of Mechanical Engineering University of ColoradoBoulder427 UCB1111 Engineering DriveBoulderCO 80309USA ATLAS Institute 112518th St.320 UCBBoulderCO 80309USA

Polycyclic aromatic hydrocarbons(PAHs)are promising nanocarbon materials with diverse optoelectronic properties,yet they also pose concerning environmental and health risks.Despite the ubiquity of PAHs in the environment(crude oil,emissions,and biomass),most supermolecules rely on heteroatoms for stability.We discovered and characterized a family of all-hydrocarbon,all-π-conjugated[n]cycloparaphenylene-PAH host–guest complexes.We built a theoretical framework to rapidly select these complexes and predict their stabilities,driven exclusively by CH–πinteractions.More than a dozen complexes were confirmed experimentally and assembled directly from commercially available compounds.This motif offers a versatile way to combine the advantageous properties of organic semiconductors with the rich dynamic,stereochemical,stimulus-responsive,and stressdissipative behavior of host–guest complexes,while creating new opportunities for bespoke PAH separation or remediation materials.

关键词： cycloparaphenylenes density functional calculations host−guest systems hydrocarbons polycycles self-assembly supramolecular chemistry

Geophysical and orbital environments of asteroid 4692192016 HO3

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Astrodynamics 2023年第1期7卷 31-50页

作者： Xiangyu Li Daniel J.Scheeres Dong Qiao Zixuan Liu School of Aerospace Engineering Beijing Institute of TechnologyBeijing 100081China Ann and H.J.Smead Aerospace Engineering Department University of Colorado Boulder429 UCBBoulderCO 80309USA

Asteroid 469219 Kamo'oalewa,also named 2016 HO3,is a small-size fast-rotating near-Earth asteroid,which is a potential target for future explorations.Owing to its weak gravity and fast spin rate,the dynamics on the surface or in the vicinity of 2016 HO3 are significantly different from those of planets or other small bodies explored in previous missions.In this study,the geophysical and orbital environments of 2016 HO3 were investigated to facilitate a potential mission design.First,the geormnetric and geopotential topographies of 2016 HO3 were examined using difterent shape models.The liftoff and escape conditions on its fast-rotating surface were investigated.Then,the periodic orbits around 2016 HO3 were studied in the asteroid-fixed frame and the Sun-asteroid frame considering the solar radiation pressure.The stable regions of the terminator orbits were discussed using different parameters.Finally,the influence of the nonspherical shape on the terminator orbits was examined.The precise terminator orbits around a real shape model of 2016 HO3 were obtained and verified in the high-fidelity model.This study shows that the polar region of 2016 HO3 is the primary region for landing or sampling,and the terminator orbits are well suited for global mapping and measurements of 2016 HO3.The analysis and methods can also serve as references for the exploration of other small fast-rotating bodies.

关键词： asteroid 2016 HO3 geophysical environment solar radiation pressure terminator orbit

Nootropics with potential to(re)build neuroarchitecture

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Neural Regeneration Research 2016年第1期11卷 79-80页

作者： Kyoko Koshibu Neuroscience Therapeutic Area UCB Pharma SA

Development of effective treatments for neurodegenerative disorders is a clinical conundrum that has puzzled many researchers.Currently available drugs target symptomatic relief rather than suppressing,ceasing or repairing the devastating neural damages.For Alzheimer’s disease,two classes of procognitive compounds are approved as a treatment.

关键词： devastating damages suppressing approved relief sigma amyloid preliminary mitochondria targeting

Development of a unilateral ureteral obstruction model in cynomolgus monkeys

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Animal Models and Experimental Medicine 2021年第4期4卷 359-368页

作者： Linghong Huang Jia Ni Tanika Duncan Zhizhan Song Timothy S.Johnson Immunology Therapeutic Area UCB PharmaSloughUK Research and Development Prisys BiotechnologiesPudongChina

Background:Chronic kidney disease(CKD)has a high global prevalence and large unmet need.Central to developing new CKD therapies are in vivo models in CKD.However,next-generation antibody,protein,and gene therapies are highly specific,meaning some do not cross-react with rodent targets.This complicates preclinical development,as established in vivo rodent models cannot be utilized unless tool therapeutics are also developed.Tool compounds can be difficult to develop and,if available,typically have different epitopes,sequences,and/or altered affinity,making it unclear how efficacious the lead therapeutic may be,or what dosing regimen to investigate.To address this,we aimed to develop a nonhuman primate model of CKD.Methods:In vivo rodent unilateral ureteral obstruction(UUO)models kidney fibrosis and is commonly used due to its rapidity,consistency,and ease.We describe translation of this model to the cynomolgus monkey,specifically optimizing the model duration to allow adequate time for assessment of novel therapeutics prior to the fibrotic plateau.Results:We demonstrated that disease developed more slowly in cynomolgus monkeys than in rodents post-UUO,with advanced fibrosis developing by 6 weeks.The tubulointerstitial fibrosis in cynomolgus monkeys was more consistent with human obstructive disease than in rodents,having a more aggressive tubular basement expansion and a higher fibroblast infiltration.The fibrosis was also associated with increased transglutaminase activity,consistent with that seen in patients with CKD.Conclusion:This cynomolgus monkey UUO model can be used to test potential human-specific therapeutics in kidney fibrosis.

关键词： animal models fibrosis kidney nonhuman primates transglutaminase

Host cell protein quantification workflow using optimized standards combined with data-independent acquisition mass spectrometry

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Journal of Pharmaceutical Analysis 2023年第5期13卷 494-502页

作者： Steve Hessmann Cyrille Chery Anne-Sophie Sikora Annick Gervais Christine Carapito BioOrganic Mass Spectrometry Laboratory(LSMBO) IPHC UMR 7178University of StrasbourgCNRSProFI-FR2048Strasbourg67000France Department of Analytical Development Sciences for Biologicals UCB Pharma S.A.Braine l'Alleud1420Belgium

Monitoring of host cell proteins(HCPs)during the manufacturing of monoclonal antibodies(mAb)has become a critical requirement to provide effective and safe drug products.Enzyme-linked immunosorbent assays are still the gold standard methods for the quantification of protein impurities.However,this technique has several limitations and does,among others,not enable the precise identification of proteins.In this context,mass spectrometry(MS)became an alternative and orthogonal method that delivers qualitative and quantitative information on all identified HCPs.However,in order to be routinely implemented in biopharmaceutical companies,liquid chromatography-MS based methods still need to be standardized to provide highest sensitivity and robust and accurate quantification.Here,we present a promising MS-based analytical workflow coupling the use of an innovative quantification standard,the HCP Profiler solution,with a spectral library-based data-independent acquisition(DIA)method and strict data validation criteria.The performances of the HCP Profiler solution were compared to more conventional standard protein spikes and the DIA approach was benchmarked against a classical datadependent acquisition on a series of samples produced at various stages of the manufacturing process.While we also explored spectral library-free DIA interpretation,the spectral library-based approach still showed highest accuracy and reproducibility(coefficients of variation<10%)with a sensitivity down to the sub-ng/mg mAb level.Thus,this workflow is today mature to be used as a robust and straightforward method to support mAb manufacturing process developments and drug products quality control.

关键词： Host cell proteins Absolute quantification standards Data-independent acquisition

SV2B defines a subpopulation of synaptic vesicles

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Journal of Molecular Cell Biology 2023年第9期15卷 1-13页

作者： Isabelle Paulussen Hannes Beckert Timothy FMusial Lena J.Gschossmann Julia Wolf Mathieu Schmitt Jérôme Clasadonte Georges Mairet-Coello Christian Wolff Susanne Schoch Dirk Dietrich Synaptic Neuroscience Team Department of NeurosurgeryUniversity Hospital BonnBonn 53127Germany Synaptic Neuroscience Team Department of NeuropathologyUniversity Hospital BonnBonn 53127Germany Microscopy Core Facility Medical FacultyUniversity of BonnBonn 53127Germany ucb Pharma Braine l’Alleud 1420Belgium

Synaptic vesicles can undergo several modes of exocytosis,endocytosis,and trafficking within individual synapses,and their fates may be linked to different vesicular protein compositions.Here,we mapped the intrasynaptic distribution of the synaptic vesicle proteins SV2B and SV2A in glutamatergic synapses of the hippocampus using three-dimensional electron microscopy.SV2B was almost completely absent from docked vesicles and a distinct cluster of vesicles found near the active zone.In contrast,SV2A was found in all domains of the synapse and was slightly enriched near the active zone.SV2B and SV2A were found on the membrane in the peri-active zone,suggesting the recycling from both clusters of vesicles.SV2B knockout mice displayed an increased seizure induction threshold only in a model employing high-frequency stimulation.Our data show that glutamatergic synapses generate molecularly distinct populations of synaptic vesicles and are able to maintain them at steep spatial gradients.The almost complete absence of SV2B from vesicles at the active zone of wildtype mice may explain why SV2A has been found more important for vesicle release.

关键词： 3D electron microscopy synaptic vesicles synaptic vesicle proteins endocytosis trafficking spatial organization

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DARKENERGY

Chinese Physics C 2016年第10期40卷 402-410页

作者： D. H. Weinberg M. White M. J. Mortonson OSU ucb LBL

27.1. Repulsive Gravity and Cosmic Acceleration In the first modern cosmological model, Einstein [1] modified his field equation of General Relativity （GR）, introducing a ＂cosmological term＂ that enabled a solution with time-independent, spatially homogeneous matter density pm and constant positive space curvature. Although Einstein did not frame it this way, one can view the ＂cosmological constant＂ A as representing a constant energy density of the vacuum [2], whose repulsive gravitational effect balances the attractive gravity of matter and thereby allows a static solution. After the development of dynamic cosmological models [3,4] and the discovery of cosmic expansion [5], the cosmological term appeared unnecessary, and Einstein and de Sitter [6] advocated adopting an expanding, homogeneous and isotropic, spatially flat, matter-dominated universe as the default cosmology until observations dictated otherwise.

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Public perception of electric vehicles on reddit over the past decade

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Communications in Transportation Research 2022年第1期2卷 181-192页

作者： Tao Ruan Qin Lv Department of Computer Science University of Colorado Boulder430 UCBBoulderCO80309USA

Understanding public perception of electric vehicles(EVs)is imperative for increasing EV adoption,which can significantly reduce greenhouse gas(GHG)emissions,thereby mitigating climate change and global warming.While most existing research characterizes public perception of EV in the context of surveys,questionnaires,or interviews,our study leverages Reddit online social network(OSN)data to capture EV public perception at a much larger scale.We have collected 3,437,917 Reddit posts(including 274,979 submissions and 3,162,938 comments)between January 2011 and December 2020 relevant to EVs and analyzed them along several axes to understand how EVs are perceived by the public on Reddit through the following research questions:(1)What EVrelated topics have been discussed by Reddit users?Whether/how Reddit users’interest in different topics has changed during 2011–2020?(2)What sentiment do Reddit users hold towards EVs?Whether public sentiment on Reddit has shifted over the past 10 years?(3)Whether/how do various Reddit communities(i.e.,subreddits)have different perceptions of EVs?Our analysis evinces the potential of utilizing a large-scale OSN dataset for demonstrating a much wider spectrum of topics that the public is interested in than previous studies show,reveals fringe communities including r/conspiracy have many(controversial)discussions on EVs,especially on the environmental impacts of EVs,and one political community(r/The_Donald)has similar patterns with fringe communities in both sentiment and topic aspects.By answering these research questions,we aim to develop a more comprehensive understanding of the public perception of EVs in the past decade.

关键词： Reddit Electric vehicles Public perception Online social network Topic modeling Sentiment analysis

Quantifying spatiotemporal variability in occupant exposure to an indoor airborne contaminant with an uncertain source location

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Building Simulation 2023年第6期16卷 889-913页

作者： John E.Castellini Jr Cary A.Faulkner Wangda Zuo Michael D.Sohn Department of Mechanical Engineering University of Colorado BoulderUCB 427BoulderCO80309USA Department Architectural Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA National Renewable Energy National Laboratory GoldenCO80401USA Energy Analysis and Environmental Impacts Division Lawrence Berkeley National Laboratory1 Cyclotron RoadBerkeleyCA94720USA

Well-mixed zone models are often employed to compute indoor air quality and occupant exposures.While effective,a potential downside to assuming instantaneous,perfect mixing is underpredicting exposures to high intermittent concentrations within a room.When such cases are of concern,more spatially resolved models,like computational-fluid dynamics methods,are used for some or all of the zones.But,these models have higher computational costs and require more input information.A preferred compromise would be to continue with a multi-zone modeling approach for all rooms,but with a better assessment of the spatial variability within a room.To do so,we present a quantitative method for estimating a room’s spatiotemporal variability,based on influential room parameters.Our proposed method disaggregates variability into the variability in a room’s average concentration,and the spatial variability within the room relative to that average.This enables a detailed assessment of how variability in particular room parameters impacts the uncertain occupant exposures.To demonstrate the utility of this method,we simulate contaminant dispersion for a variety of possible source locations.We compute breathing-zone exposure during the releasing(source is active)and decaying(source is removed)periods.Using CFD methods,we found after a 30 minutes release the average standard deviation in the spatial distribution of exposure was approximately 28%of the source average exposure,whereas variability in the different average exposures was lower,only 10%of the total average.We also find that although uncertainty in the source location leads to variability in the average magnitude of transient exposure,it does not have a particularly large influence on the spatial distribution during the decaying period,or on the average contaminant removal rate.By systematically characterizing a room’s average concentration,its variability,and the spatial variability within the room important insights can be gained as to how much uncertainty is introduced into

关键词： uncertainty variability airborne contaminant spatiotemporal variability well-mixed heterogeneity