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Bayesian inference of atomistic structure in functional materials

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npj Computational Materials 2019年第1期5卷 836-842页

作者： milica todorović Michael U.Gutmann Jukka Corander Patrick Rinke Department of Applied Physics Aalto UniversityP.O.Box 11100Aalto FI-00076Finland School of Informatics University of Edinburgh10 Crichton StreetEdinburgh EH89ABUK Institute of Basic Medical Sciences University of OsloSognsvannsveien 90372 OsloNorway Department of Mathematics and Statistics University of HelsinkiP.O.Box 68Helsinki FI-00014Finland

Tailoring the functional properties of advanced organic/inorganic heterogeneous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the *** quantum mechanical simulation methods deliver accurate energies and properties for individual configurations,however,finding the most favourable configurations remains computationally *** propose a‘building block’-based Bayesian Optimisation Structure Search(BOSS)approach for addressing extended organic/inorganic interface problems and demonstrate its feasibility in a molecular surface adsorption *** BOSS,a Bayesian model identifies material energy landscapes in an accelerated fashion from atomistic configurations sampled during active *** allowed us to identify several most favourable molecular adsorption configurations for C_(60) on the(101)surface of TiO_(2) anatase and clarify the key molecule-surface interactions governing structural *** structures were in good agreement with detailed experimental images of this surface adsorbate,demonstrating good predictive power of BOSS and opening the route towards large-scale surface adsorption studies of molecular aggregates and films.

关键词： adsorption functional inorganic

Prolonged intermittent theta burst stimulation restores the balance between A_(2A)R-and A_(1)R-mediated adenosine signaling in the 6-hydroxidopamine model of Parkinson's disease

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Neural Regeneration Research 2025年第7期20卷 2053-2067页

作者： milica Zeljkovic Jovanovic Jelena Stanojevic Ivana Stevanovic milica Ninkovic Tihomir V.Ilic Nadezda Nedeljkovic Milorad Dragic Laboratory for Neurobiology Department of General Physiology and BiophysicsFaculty of BiologyUniversity of BelgradeBelgradeSerbia Medical Faculty of Military Medical Academy University of DefenceBelgradeSerbia

An imbalance in adenosine-mediated signaling,particularly the increased A_(2A)R-mediated signaling,plays a role in the pathogenesis of Parkinson's *** therapeutic approaches fail to alter disease progression,demonstrating the need for novel approaches in *** transcranial magnetic stimulation is a non-invasive approach that has been shown to improve motor and non-motor symptoms of Parkinson's ***,the underlying mechanisms of the beneficial effects of repetitive transcranial magnetic stimulation remain *** purpose of this study is to investigate the extent to which the beneficial effects of prolonged intermittent theta burst stimulation in the 6-hydroxydopamine model of experimental parkinsonism are based on modulation of adenosine-mediated *** with unilateral 6-hydroxydopamine lesions underwent intermittent theta burst stimulation for 3 weeks and were tested for motor skills using the Rotarod ***,quantitative reverse transcription polymerase chain reaction,immunohistochemistry,and biochemical analysis of components of adenosine-mediated signaling were performed on the synaptosomal fraction of the lesioned caudate *** intermittent theta burst stimulation improved motor symptoms in 6-hydroxydopamine-lesioned animals.A 6-hydroxydopamine lesion resulted in progressive loss of dopaminergic neurons in the caudate *** with intermittent theta burst stimulation began 7 days after the lesion,coinciding with the onset of motor *** treatment with prolonged intermittent theta burst stimulation,complete motor recovery was *** improvement was accompanied by downregulation of the e N/CD73-A_(2A)R pathway and a return to physiological levels of A_(1)R-adenosine deaminase 1 after 3 weeks of intermittent theta burst *** results demonstrated that 6-hydroxydopamine-induced degeneration reduced the expression of A_(1)R and elevated the expression of A_(2A)***

关键词： A_(1)R A_(2A)R adenosine receptors adenosine ecto-5′-nucleotidase intermittent theta burst stimulation non-invasive brain stimulation Parkinson's disease purinergic signalling

Exciton dynamics in different aromatic hydrocarbon systems

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Chinese Physics B 2020年第10期29卷 438-443页

作者： milica Rutonjski Petar Mali Slobodan Radosevic Sonja Gombar Milan Pantic milica Pavkov-Hrvojevic Department of Physics Faculty of SciencesUniversity of Novi SadTrg Dositeja Obradovicu 421000 Novi SadSerbia

The exciton dispersion is examined in the case of four selected prototypical molecular solids: pentacene, tetracene, picene, and chrysene. The model parameters are determined by fitting to experimental data obtained by inelastic electron scattering. Within the picture that relies on Frenkel-type excitons we obtain that theoretical dispersion curves along different directions in the Brillouin zone are in good agreement with the experimental data, suggesting that the influence of charge-transfer excitons on exciton dispersion of the analyzed organic solids is not as large as proposed. In reciprocal space directions where Davydov splitting is observed we employ the upgraded version of Hamiltonian used in Materials 11, 2219 (2018).

关键词： aromatic hydrocarbons exciton dispersion Heisenberg model Davydov splitting

Land degradation and management of red beds in China:Two case studies

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Journal of Mountain Science 2019年第11期16卷 2591-2604页

作者： YAN Luo-bin milica KASANIN-GRUBIN School of Geographical Sciences Southwest UniversityChongqing400715 China Institute of Chemistry Technology and MetallurgyUniversity of BelgradeBelgrade 11000Serbia

Red beds cover approximately 9.5%of China,and are home to approximately 144 million *** total,83%of these lands are distributed in humid regions making it an important part of research on red bed soil erosion in China in these *** paper presents the main types of land degradation in red bed landscapes and the status of current soil erosion in a typical red bed basin,the Nanxiong Basin located in the north of Guangdong Province,China,and establishes the connection between management strategies and regional economic development in humid red bed regions of *** soil erosive modulus was calculated in the Nanxiong Basin by using RUSLE(The Revised Universal Soil Loss Equation).The results of overlapping analyses demonstrated that appropriate measures,such as the Return Farmland to Forests initiative,should be taken at the junction of central red bed areas and mountainous areas in order to mitigate current soil *** examples are presented to demonstrate this:the tourism development in ***,a noted scenic mountainous area near Nanxiong Basin,and the land degradation mitigation in the Nanxiong *** examples promote local economic growth while simultaneously protecting the environment.A‘stakeholder'strategy is pursued at ***,which can help residents to understand their positive effects on the environment as well as increase their *** second example,in Nanxiong City,showcases how local farmers became stakeholders by implementing contract responsibility and self-support systems for economic forests and terraced land in the 1980s.

关键词： Red beds Land degradation Desertification Danxia landform Management

Organ-on-a-chip platforms for evaluation of environmental nanoparticle toxicity

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Bioactive Materials 2021年第9期6卷 2801-2819页

作者： Rick Xing Ze Lu milica Radisic Institute of Biomedical Engineering University of TorontoTorontoONCanada Department of Chemical Engineering and Applied Chemistry University of TorontoTorontoONCanada Toronto General Research Institute University Health NetworkTorontoONCanada The Heart and Stroke/Richard Lewar Centre of Excellence TorontoONCanada

Despite showing a great promise in the field of nanomedicine,nanoparticles have gained a significant attention from regulatory agencies regarding their possible adverse health effects upon environmental *** those nanoparticles are generated through intentional or unintentional means,the constant exposure to nanomaterials can inevitably lead to unintended consequences based on epidemiological data,yet the current understanding of nanotoxicity is insufficient relative to the rate of their emission in the environment and the lack of predictive platforms that mimic the human *** calls for a development of more physiologically relevant models,which permit the comprehensive and systematic examination of toxic properties of *** the advancement in microfabrication techniques,scientists have shifted their focus on the development of an engineered system that acts as an intermediate between a well-plate system and animal models,known as *** ability of organ-on-a-chip models to recapitulate in vivo like microenvironment and responses offers a new avenue for nanotoxicological *** this review,we aim to provide overview of assessing potential risks of nanoparticle exposure using organ-on-a-chip systems and their potential to delineate biological mechanisms of epidemiological findings.

关键词： Organ-on-a-chip Toxicity Nanoparticles

Breast cancer in schizophrenia could be interleukin-33-mediated

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World Journal of Psychiatry 2021年第11期11卷 1065-1074页

作者： milica M Borovcanin Katarina Vesic Department of Psychiatry University of KragujevacFaculty of Medical SciencesKragujevac 34000Serbia Department of Neurology University of KragujevacFaculty of Medical SciencesKragujevac 34000Serbia

Recent epidemiological and genetic studies have revealed an interconnection between schizophrenia and breast *** mutual underlying pathophysiological mechanisms may be immunologically driven.A new cluster of molecules called alarmins may be involved in sterile brain inflammation,and we have already reported the potential impact of interleukin-33(IL-33)on positive symptoms onset and the role of its soluble trans-membranes full length receptor(sST2)on amelioration of negative symptoms in schizophrenia ***,these molecules have already been shown to be involved in breast cancer *** this review article,we aim to describe the IL-33/suppressor of tumorigenicity 2(ST2)axis as a crossroad in schizophreniabreast cancer *** that raloxifene could be tissue-specific and improve cognition and that tamoxifen resistance in breast carcinoma could be improved by strategies targeting IL-33,these selective estrogen receptor modulators could be useful in complementary *** observations could guide further somatic,as well as psychiatric therapeutical protocols by incorporating what is known about immunity in schizophrenia.

关键词： Interleukin-33 Schizophrenia Breast cancer Neurodegeneration

Prototype of highly efficient liquid electrode pulsating corona plasma reactor for degradation of organics in water

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Plasma Science and Technology 2019年第12期21卷 67-77页

作者： Sasa RANCEV milica PETROVIC Dragan RADIVOJEVIC Aleksandar BOJIC cedomir MALUCKOV Miodrag RADOVIC University of Nis Faculty of Science and MathematicsDepartment of PhysicsVisegaradska 3318000NisSerbia University of Nis Faculty of Science and MathematicsDepartment of ChemistryVisegradska 3318000NisSerbia University of Belgrade Technical Faculty in BorDepartment for Inorganic Chemical TechnologyVojske Jugoslavije 1219210 BorSerbia

Prototype of atmospheric pressure non-thermal corona plasma reactor, developed for degradation of organics in water, operates at significantly higher frequency than other reactors for that purpose, and without sparks. Its construction provides the umbrella shaped, sustained pulsating corona discharge, with defined discharge oscillations on a given pulse frequency above the water surface. Dye degradation rate decreases with the decrease of discharge current density. Plasmaformed H2O2 is consumed in dye degradation. The energy yield of dye degradation is 2.45 g k Wh^-1 for 50 ppm solution, which is higher than in other publications for comparable experimental conditions.

关键词： corona pulsating frequency degradation

Crossing the Borders of Advertising:the Effect of Communication Accommodation on International Consumers in China

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Crossing the Borders of Advertising:the Effect of Communicat...

作者： milica Smolovic 上海交通大学

学位级别：硕士

Technology has enhanced the way people communicate,as well as provided its users with abundant sources for obtaining ***,intercultural communication,in many respects,remains bounded by similar obstacles people encountered decades *** research worked within the area of advertising communication,with the purpose of contributing to a better understanding of the factors that might hinder its *** the lens of the communication accommodation theory and the affective response model,this study explored the relationship between language and culture,communication accommodation and communication accommodation outcomes,affective responses and purchase intentions,in the context of consumers in a foreign environment.A survey of 327 internationals living in China revealed a correlation between language proficiency,familiarity with Chinese culture,and interest in Chinese *** results showed no statistical significance between the cultural components and purchase intentions,while revealing a significant negative effect of language proficiency on purchase *** determined by the regression analysis,the affective dimension is the most significant when it comes to predicting consumers' purchase intentions in a foreign ***,when watching culture-specific advertisement,consumers' attitude toward the ad and brand was found to mediate the effect of affective response on purchase intentions.

关键词： advertising communication affective response consumer attitude purchase intention language proficiency

Silicon-photonics-enabled chip-based 3D printer

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Light(Science & Applications) 2024年第7期13卷 1320-1330页

作者： Sabrina Corsetti milica Notaros Tal Sneh Alex Stafford Zachariah A.Page Jelena Notaros Research Laboratory of Electronics Massachusetts Institute of TechnologyCambridgeMA 02139USA Department of Chemistry The University of Texas at AustinAustinTX 78712USA

Imagine if it were possible to create 3D objects in the palm of your hand within seconds using only a single photonic *** 3D printing has revolutionized the way we create in nearly every aspect of modern society,current 3D printers rely on large and complex mechanical systems to enable layer-by-layer addition of *** limits print speed,resolution,portability,form factor,and material *** there have been recent efforts in developing novel photocuring-based 3D printers that utilize light to transform matter from liquid resins to solid objects using advanced methods,they remain reliant on bulky and complex mechanical *** address these limitations,we combine the fields of silicon photonics and photochemistry to propose the first chip-based 3D *** proposed system consists of only a single millimeter-scale photonic chip without any moving parts that emits reconfigurable visible-light holograms up into a simple stationary resin well to enable non-mechanical 3D ***,we experimentally demonstrate a stereolithography-inspired proof-of-concept version of the chip-based 3D printer using a visible-light beam-steering integrated optical phased array and visible-light-curable resin,showing 3D printing using a chip-based system for the first *** work demonstrates the first steps towards a highlycompact,portable,and low-cost solution for the next generation of 3D printers.

关键词： printer printing visible