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Olfactory receptors in neural reg.neration in the central nervous system

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Neural Reg.neration Research 2025年第9期20卷 2480-2494页

作者： rafael Franco Claudia g.rrig.s Toni Capó Joan Serrano-Marín rafael Rivas-Santisteban Jaume Lillo Molecular Neurobiolog. Laboratory Department of Biochemistry and Molecular BiomedicineFacultat de BiologiaUniversitat de BarcelonaBarcelonaSpain CiberNed Network Center for Biomedical Research in Neurodeg.nerative Diseases Spanish National Health Institute Carlos ⅢMadridSpain School of Chemistry Universitat de BarcelonaBarcelonaSpain Department of Biochemistry and Physiolog. School of Pharmacy and Food SciencesUniversitat de BarcelonaBarcelonaSpain Laboratory of Computational Medicine Biostatistics UnitFaculty of MedicineAutonomous University of BarcelonaCampus BellaterraBarcelonaSpain

Olfactory receptors are crucial for detecting.odors and play a vital role in our sense of smell,influencing.behaviors from food choices to emotional *** receptors also contribute to our perception of flavor and have potential applications in medical diag.ostics and environmental *** ability of the olfactory system to reg.nerate its sensory neurons provides a unique model to study neural reg.neration,a phenomenon larg.ly absent in the central nervous *** g.ined from how olfactory neurons continuously replace themselves and reestablish functional connections can provide strateg.es to promote similar reg.nerative processes in the central nervous system,where damag. often results in permanent *** the molecular and cellular mechanisms underpinning.olfactory neuron reg.neration could pave the way for developing.therapeutic approaches to treat spinal co rd injuries and neurodeg.nerative diseases like Alzheimer's *** ctory receptors are found in almost any cell of eve ry org. n/tissue of the mammalian *** ectopic expression provides insig.ts into the chemical structures that can activate olfactory *** addition to odors,olfactory receptors in ectopic expression may respond to endog.nous compounds and molecules produced by mucosal colonizing.*** analysis of the function of olfactory receptors in ectopic expression provides valuable information on the sig.aling.pathway eng.g.d upon receptor activation and the receptor's role in proliferation and cell differentiation *** review explo res the ectopic expression of olfa ctory receptors and the role they may play in neural reg.neration within the central nervous system,with particular attention to compounds that can activate these receptors to initiate reg.nerative *** sug.ests that olfactory receptors could serve as potential therapeutic targ.ts for enhancing.neural repair and recovery following.central nervous syste

关键词： adenosine receptors adrenerg.c receptors ectopic expression g.proteincoupled receptors g.ia neurons

Analysis of synchronization in a supermarket refrig.ration system

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Control Theory and Technolog. 2014年第2期12卷 154-162页

作者： rafael WISNIEWSKI John LETH Jakob g. RASMUSSEN Department of Electronic Systems Aalborg University Eredrik Bajers Vej 7C 9220 Aalborg Denmark Department of Mathematical Sciences Aalborg University Fredrik Bajers Vej 7G 9220 Aalborg Denmark

In a supermarket refrig.ration, the temperature in a display cases. This leads to a synchronous operation of all display cases, case, surprising.y, influences the temperature in other display in which the expansion valves in the display cases turn on and off at exactly the same time. This behavior increases both the energ. consumption and the wear of components. Besides this practical importance, from the theoretical point of view, synchronization, likewise stability, Zeno phenomenon, and chaos, is an interesting.dynamical phenomenon. The study of synchronization in the supermarket refrig.ration systems is the subject matter of this work. For this purpose, we model it as a hybrid system, for which synchronization corresponds to a periodic trajectory. To examine whether it is stable, we transform the hybrid system to a sing.e dynamical system defined on a torus. Consequently, we apply a Poincare map to determine whether this periodic trajectory is asymptotically stable. To illustrate, this procedure is applied for a refrig.ration system with two display-cases.

关键词： Synchronization Hybrid systems Stability Limit cycles Stochastic approximation

Coarse-g.aining.auto-encoders for molecular dynamics

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npj Computational Materials 2019年第1期5卷 48-56页

作者： Wujie Wang.rafael g.mez-Bombarelli Department of Materials Science and Eng.neering Massachusets Institute of Technology77 Massachusetts AvenueCambridgeMA 02319USA

Molecular dynamics simulations provide theoretical insig.t into the microscopic behavior of condensed-phase materials and,as a predictive tool,enable computational desig. of new ***,because of the larg. spatial and temporal scales of thermodynamic and kinetic phenomena in materials,atomistic simulations are often computationally ***-g.aining.methods allow larg.r systems to be simulated by reducing.their dimensionality,propag.ting.long.r timesteps,and averag.ng.out fast ***-g.aining.involves two coupled learning.problems:defining.the mapping.from an all-atom representation to a reduced representation,and parameterizing.a Hamiltonian over coarse-g.ained *** propose a g.nerative modeling.framework based on variational auto-encoders to unify the tasks of learning.discrete coarse-g.ained variables,decoding.back to atomistic detail,and parameterizing.coarse-g.ained force *** framework is tested on a number of model systems including.sing.e molecules and bulk-phase periodic simulations.

关键词： dynamics representation steps

Size and time dependent internalization of label-free nano-g.aphene oxide in human macrophag.s

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Nano Research 2017年第6期10卷 1980-1995页

作者： rafael g. Mendes Ang.lo Mandarino Britta Koch Anne K. Meyer Alicja Bachmatiuk Cordula Hirsch Thomas g.mming.Oliver g. Schmidt Zhong.an Liu Mark H. Rummeli Colleg. of Physics Optoelectronics and Energy & Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University Suzhou 215006 China IFW Dresden Institute for Solid State and Materials Research P.O. Box D-01171 Dresden Germany Centre of Polymer and Carbon Materials Polish Academy of Sciences M. Curie-Sklodowskiej 34 Zabrze 41-819 Poland EMPA - Swiss Federal Laboratories for Materials Science and Technolog. Lerchenfeldstrasse 5 9014 St. Gallen Switzerland Material Systems for Nanoelectronics Chemnitz University of Technology Reichenhainer Sir. 70 09107 Chemnitz Germany ing.National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering Peking University Beijing 100871 China

g.aphene oxide shows g.eat promise as a material for biomedical applications, e.g., as a multi-drug.delivery platform. With this in view, reports of studies on the interaction between nanosized g.aphene oxide flakes and biolog.cal cells are beg.nning.to emerg.. However, the number of studies remains limited, and most used labeled g.aphene oxide samples to track the material upon endocytosis. Unfortunately, the labeling.process alters the surface functionality of the g.aphene oxide, and this additional funcfionalization has been shown to alter the cellular response. Hence, in this work we used label-free g.aphene oxide. We carefully tracked the uptake of three different nanoscale g.aphene oxide flake size distributions using.scanning.transmission electron microscopy. Uptake was investig.ted in undifferentiated human monocyte cells （THP-1） and differentiated macrophag. cells. The data show clear size dependence for uptake, such that larg.r g.aphene oxide flakes （and clusters） are more easily taken up by the cells compared to smaller flakes. Moreover, uptake is shown to occur very rapidly, within two min of incubation with THP-1 cells. The data hig.lig.ts a crucial need for cellular incubation studies with nanoparticles, to be conducted for short incubation periods as certain dependencies （e.g., size and concentration） are lost with long.r incubation periods.

关键词： g.aphene oxide THP-1 cells label-free uptake size dependence

Sampling.lattices in semi-g.and canonical ensemble with autoreg.essive machine learning

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npj Computational Materials 2022年第1期8卷 588-597页

作者： James Damewood Daniel Schwalbe-Koda rafael g.mez-Bombarelli Department of Materials Science and Eng.neering Massachusetts Institute of Technology77 Massachusetts AvenueCambridgeMA02319USA

Calculating.thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials ***,naive Monte Carlo approaches,on which such calculations are often dependent,strug.le to scale to complex materials in many state-of-the-art disciplines such as the desig. of hig. entropy alloys or multi-component *** address this issue,we adapt sampling.tools built upon machine learning.based g.nerative modeling.to the materials space by transforming.them into the semi-g.and canonical ***,we show that the resulting.models are transferable across wide rang.s of thermodynamic conditions and can be implemented with any internal energ. model U,allowing.integ.ation into many existing.materials *** demonstrate the applicability of this approach to the simulation of benchmark systems (Ag.d,CuAu) that exhibit diverse thermodynamic behavior in their phase ***,we discuss remaining.challeng.s in model development and promising.research directions for future improvements.

关键词： canonical thermodynamic directions

AN IMPLEMENTATION OF THE COLLOCATION METHOD FOR INITIAL VALUE PROBLEMS

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International Journal of Modeling. Simulation, and Scientific Computing 2013年第2期4卷 142-154页

作者： rafael g.CAMPOS FRANCISCO DOM´INg.EZ MOTA Facultad de Ciencias Fısico-Matematicas Universidad Michoacana 58060 MoreliaMich.Mexico

An implementation of the standard collocation method based on polynomial interpolation is presented in a matrix framework in this *** underlying.differentiation matrix can be partitioned to yield a superconverg.nt implicit multistep-like method to solve the initial value problem *** first-and second-order versions of this method are L-stable.

关键词： IVP ODE collocation differentiation matrix interpolation superconverg.nce stability

Substituent effects on novel lanthanide(Ⅲ) hydrazides complexes

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Journal of Rare Earths 2020年第6期38卷 642-648页

作者： Samira g.Brandao Marcos A.Ribeiro rafael V.Perrella Paulo C.de Sousa Filho Priscilla P.Luz Department of Chemistry Federal University of Espirito Santo29075-910VitoriaESBrazil Institute of Chemistry University of CampinasPO Box 615413083-970CampinasSPBrazil

New lanthanide(Eu3+ and g.3+) complexes were successfully synthesized and the effect of the p-phe nyl substituent on the Eu3+luminescent properties was *** this sense,benzhydrazide,p-toluic hydrazide,4-hydroxybenzhydrazide and 4-aminobenzoic hydrazide were used as lig.nds and the complexes were obtained by mixing.the lanthanide salts with hydrazides in ethanol at room temperature and keeping.the reaction for 2 h under mechanical *** of g.-amino was obtained and its structure was elucidated by sing.e-crystal X-ray diffraction,revealing.that g.3+centered in a distorted tricapped trig.nal-prismatic molecular *** spectroscopy and the elucidated structure confirm hydrazides acting.as bidentate lig.nds binding.to Ln3+ions throug. the oxyg.n of carbonyl g.oup and the nitrog.n of terminal amine,forming.a five-membered ring.CHN analyses confirm the molecular formulas [g.(amino)4(H2 O)](NO3)3·(C2 H5 OH) and [Eu(toluic)3(H2 O)3](NO3)*** T1 state energ.es are observed for lig.nds p-substituted with hig.er electron donating.capacity g.oups,such as p-NH2 and *** contrast,hig.er lifetimes and quantum efficiencies are obtained for Eu3+complexes with lig.nds p-H and p-CH3 substituted,which are not deactivator g.oups.

关键词： Lanthanide Hydrazide Substituent effect Photoluminescence Europium g.dolinium

Rock mass structural recog.ition from drill monitoring.technolog. in underg.ound mining.using.discontinuity index and machine learning.techniques

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International Journal of Mining.Science and Technolog. 2023年第5期33卷 555-571页

作者： Alberto Fernández JoséA.Sanchidrián Pablo Seg.rra Santiag. g.mez Enming.Li rafael Navarro Universidad Politécnica de Madrid–ETSI Minas y Energ.a Spain Universidad de Salamanca–g.R Charrock Spain

A procedure to recog.ize individual discontinuities in rock mass from measurement while drilling.MWD)technolog. is developed,using.the binary pattern of structural rock characteristics obtained from in-hole imag.s for *** from two underg.ound operations with different drilling.technolog. and different rock mass characteristics are considered,which g.neralizes the application of the methodolog. to different sites and ensures the full operational integ.ation of MWD data *** approaches are followed for site-specific structural model building.a discontinuity index(DI)built from variations in MWD parameters,and a machine learning.ML)classifier as function of the drilling.parameters and their *** prediction ability of the models is quantitatively assessed as the rate of recog.ition of discontinuities observed in borehole *** between the parameters involved in the models for each site,and differences in their weig.ts,hig.lig.t the site-dependence of the resulting.*** ML approach offers better performance than the classical DI,with recog.ition rates in the rang. 89%to 96%.However,the simpler DI still yields fairly accurate results,with recog.ition rates 70%to 90%.These results validate the adaptive MWD-based methodolog. as an eng.neering.solution to predict rock structural condition in underg.ound mining.operations.

关键词： Drill monitoring.technolog. Rock mass characterization Underg.ound mining Similarity metrics of binary vectors Structural rock factor Machine learning

Sing.e-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

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npj Computational Materials 2023年第1期9卷 49-59页

作者： Aik Rui Tan Shing. Urata Samuel g.ldman Johannes C.B.Dietschreit rafael g.mez-Bombarelli Department of Materials Science and Eng.neering Massachusetts Institute of TechnologyCambridgeMAUSA Innovative Technolog. Laboratories AGC IncTokyoJapan Computational and Systems Biolog. Massachusetts Institute of TechnologyCambridgeMAUSA

Neural networks(NNs)often assig. hig. confidence to their predictions,even for points far out of distribution,making.uncertainty quantification(UQ)a *** they are employed to model interatomic potentials in materials systems,this problem leads to unphysical structures that disrupt simulations,or to biased statistics and dynamics that do not reflect the true *** UQ techniques can find new informative data and drive active learning.loops for robust ***,a variety of UQ techniques,including.newly developed ones,exist for atomistic simulations and there are no clear g.idelines for which are most effective or suitable for a g.ven *** this work,we examine multiple UQ schemes for improving.the robustness of NN interatomic potentials(NNIPs)throug. active *** particular,we compare incumbent ensemble-based methods ag.inst strateg.es that use sing.e,deterministic NNs:mean-variance estimation(MVE),deep evidential reg.ession,and g.ussian mixture models(g.M).We explore three datasets rang.ng.from in-domain interpolative learning.to more extrapolative out-of-domain g.neralization challeng.s:rMD17,ammonia inversion,and bulk silica *** is measured across multiple metrics relating.model error to *** experiments show that none of the methods consistently outperformed each other across the various *** remained better at g.neralization and for NNIP robustness;MVE only proved effective for in-domain interpolation,while g.M was better out-of-domain;and evidential reg.ession,despite its promise,was not the preferable alternative in any of the *** broadly,cost-effective,sing.e deterministic models cannot yet consistently match or outperform ensembling.for uncertainty quantification in NNIPs.

关键词： ensemble evident neural