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A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer

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npj Computational Materials 2022年第1期8卷 2128-2138页

作者： Zakiya Shireen Hansani Weeratunge Adrian Menzel Andrew W.Phillips Ronald G.Larson kate smith-Miles Elnaz Hajizadeh Department of Mechanical Engineering Faculty of Engineering and Information TechnologyThe University of MelbourneMelbourneAustralia Platforms Division Defence Science and Technology GroupMelbourneAustralia Department of Chemical Engineering University of MichiganAnn ArborMIUSA School of Mathematics and Statistics The University of MelbourneMelbourneAustralia

This work presents a framework governing the development of an efficient,accurate,and transferable coarse-grained(CG)model of a polyether *** framework combines bottom-up and top-down approaches of coarse-grained model parameters by integrating machine learning(ML)with optimization *** the bottom-up approach,bonded interactions of the CG model are optimized using deep neural networks(DNN),where atomistic bonded distributions are *** the top-down approach,optimization of nonbonded parameters is accomplished by reproducing the temperature-dependent experimental *** demonstrate that developed framework addresses the thermodynamic consistency and transferability issues associated with the classical coarse-graining *** efficiency and transferability of the CG model is demonstrated through accurate predictions of chain statistics,the limiting behavior of the glass transition temperature,diffusion,and stress relaxation,where none were included in the parametrization *** accuracy of the predicted properties are evaluated in context of molecular theories and available experimental data.

关键词： optimization grain integrating

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中国城市供水系统能耗研究

中国城市供水系统能耗研究

作者： kate smith 清华大学

学位级别：硕士

城市供水系统需要消耗大量的能耗,研究供水全过程及其不同供水环节的能耗有助于建立减少能耗的策略。本论文的研究目标是量化分析我国不同城市供水全过程的能耗及其带来的温室气体排放量,并识别影响供水能耗的因素,从而探讨可开展的供... 详细信息

城市供水系统需要消耗大量的能耗,研究供水全过程及其不同供水环节的能耗有助于建立减少能耗的策略。本论文的研究目标是量化分析我国不同城市供水全过程的能耗及其带来的温室气体排放量,并识别影响供水能耗的因素,从而探讨可开展的供水节能措施。研究发现,我国2011年每立方米和人均供水能耗分别是0.29 kWh/m3和33.2 kWh/cap·yr,城市供水的每立方米和人均的温室气体排放量分别为0.213kgCO2e/m3和24.5 kgCO2e/cap·yr公斤二氧化碳当量。城市供水用电所排放的温室气体占用电总排放量的百分比与供水管网的漏损率呈现出正相关关系。这一结果说明,减少漏失量有助于城市供水过程中的温室气体减排。研究发现,城市中的二次供水能耗较高,以20层楼建筑为例,从水源到水龙头的供水全流程中,建筑物内的二次供水能耗约占总能耗的80%,这一发现揭示了供水“最后50米”的高能耗问题。论文同时研究了传统水箱加变频的供水模式与无负压供水模式在二次供水能耗方面的差异。研究发现,与安装变频系统的楼房相比,安装无负压系统可以减少耗电量高达百分之五十,主要原因是无负压系统能够有效利用了市政管网中的余压。无负压和变频系统每米每立方米的耗电量分别为0.010 kWh/m3·m和0.019 kWh/m3·m。以我国某大城市的实际楼房高度和人口数据为例,发现在该城市四分之一的楼房用无负压系统来替代变频系统的情况下,每天能节省33000 kWh的用电量。本研究结果对中国节能减排意义重大。我国正处在快速的城镇化过程中,这将导致高层建筑居住人口和二次供水耗电量两方面的增加。同时,我国已制定了降低温室气体排放量和耗电量的目标。为了同时达到这两个目标,城市规划和水资源政策须致力减少城市供水过程中“最后50米”的能耗。该研究为实现这一目标提供了一个实用有效的方法。

关键词：中国能耗温室气体排放量水泵供水

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美国高校捐赠基金为何陷入两极分化困局？

商业周刊（中文版） 2017年第16期 29-30页

作者： kate smith 徐安琪

莫尔豪斯学院（Morehouse College）拥有强大的学术能力，田园诗般绿树成荫的校园，人才辈出的校友，其中15％的校友给学校捐款，比率与哈佛大学相当。但作为亚特兰大地区一所传统黑人学院，该校欠缺一样越来越重要的东西：一个财力雄... 详细信息

莫尔豪斯学院（Morehouse College）拥有强大的学术能力，田园诗般绿树成荫的校园，人才辈出的校友，其中15％的校友给学校捐款，比率与哈佛大学相当。但作为亚特兰大地区一所传统黑人学院，该校欠缺一样越来越重要的东西：一个财力雄厚的捐赠基金。这所全男生学院的捐赠基金规模仅略超1．3亿美元．在全美大学排名第400位左右。对于传统黑人学院和大学（也被称为HBCU）而言，这并不罕见。

关键词：捐赠基金美国高校分化哈佛大学学术能力人才辈出大学排名基金规模

GREENHOUSE GAS AND AMMONIA EMISSION MITIGATION PRIORITIES FOR UK POLICY TARGETS

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Frontiers of Agricultural Science and Engineering 2023年第2期10卷 268-280页

作者： Sarah BUCKINGHAM Cairistiona F.E.TOPP Pete smith Vera EORY David R.CHADWICK Christina K.BAXTER Joanna M.CLOY Shaun CONNOLLY Emily C.COOLEDGE Nicholas J.COWAN Julia DREWER Colm DUFFY Naomi JFOX Asma JEBARI Becky JENKINS Dominika J.KROL Karina A.MARSDEN Graham A.MCAULIFFE Steven J.MORRISON Vincent O'FLAHERTY Rachael RAMSEY Karl G.RICHARDS Rainer ROEHE Jo smith kate smith Taro TAKAHASHI Rachel E.THORMAN John WILLIAMS Jeremy WILTSHIRE Robert M.REES Scotland’s Rural College EdinburghEH93JGUK Institute of Biological&Environmental Sciences AberdeenAB243UUUK School of Natural Sciences Bangor UniversityBangorGwyneddLL572DGUK Agricultural Development and Advisory Service(ADAS) BoxworthCambridgeCB234NNUK School of Biological and Chemical Sciences University of GalwayH91 TK33Ireland Centre for Ecology and Hydrology Bush EstateMidlothianEH260QBUK The James Hutton Institute DundeeDD25DAUK Rothamsted Research North WykeOkehamptonDevonEX202SBUK Ricardo Energy&Environment HarwellOxonOX110QRUK Environment Soils and Land Use DepartmentTeagascCounty WexfordY35 TC97Ireland Agri-food and Biosciences Institute HillsboroughCounty DownBT266DRUK Bristol Veterinary School University of BristolSomersetBS405DUUK

Agriculture is essential for providing food and maintaining food security while concurrently delivering multiple other ecosystem services. However,agricultural systems are generally a net source of greenhouse gases and ammonia. They, therefore, need to substantively contribute to climate change mitigation and net zero ambitions. It is widely acknowledged that there is a need to further reduce and mitigate emissions across sectors, including agriculture to address the climate emergency and emissions gap. This discussion paper outlines a collation of opinions from a range of experts within agricultural research and advisory roles following a greenhouse gas and ammonia emission mitigation workshop held in the UK in March 2022. The meeting identified the top mitigation priorities within the UK's agricultural sector to achieve reductions in greenhouse gases and ammonia that are compatible with policy targets. In addition, experts provided an overview of what they believe are the key knowledge gaps, future opportunities and cobenefits to mitigation practices as well as indicating the potential barriers to uptake for mitigation scenarios discussed.

关键词： agriculture ammonia greenhouse gas mitigation net zero

Author Correction: A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer

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npj Computational Materials 2023年第1期9卷 203-203页

作者： Zakiya Shireen Hansani Weeratunge Adrian Menzel Andrew W.Phillips Ronald G.Larson kate smith-Miles Elnaz Hajizadeh Department of Mechanical Engineering Faculty of Engineering and Information Technology The University of Melbourne Melbourne Australia Platforms Division Defence Science and Technology Group Melbourne Australia Department of Chemical Engineering University of Michigan Ann Arbor MI USA School of Mathematics and Statistics The University of Melbourne Melbourne Australia

Correction to:npj Computational Materials https://***/10.1038/s41524-022-00914-4,published online 04 November 2022 The original version of this Article omitted some contributions in the Author Contributions section and incorrectly read[H.W.:Formal analysis,data visualization,review and editing.]The correct Author Contributions should read:[H.W.:Conceptua-lisation,formal analysis,data visualisation,writing,review and editing;*** *** equally to the conduct of the research and preparation of the manuscript.]This has now been corrected in both the PDF and HTML versions of the Article.

关键词： optimization formal grain

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加我一个嘛全家一起快乐进餐

父母世界 2020年第4期 42-44页

作者： Virginia Sole-smith Marley kate(摄影) 不详

在初为人母的头几个月,“晚餐”这个概念仿佛从妈妈们的生活中消失了。“好好吃饭几乎成了不可能的事情。”***网站的创始人,同时也是三个孩子的母亲Amy Palanjian回忆自己的经历时说,“在餐桌吃饭时,我往往只能匆匆扒拉两口,然后就要... 详细信息

在初为人母的头几个月,“晚餐”这个概念仿佛从妈妈们的生活中消失了。“好好吃饭几乎成了不可能的事情。”***网站的创始人,同时也是三个孩子的母亲Amy Palanjian回忆自己的经历时说,“在餐桌吃饭时,我往往只能匆匆扒拉两口,然后就要哄我家小宝。安顿好小朋友后,我才能再回到桌子旁吃下一口饭。”

关键词： .com 为人母快乐进餐

Lack of <i>Rbl</i>1/p107 Effects on Cell Proliferation and Maturation in the Inner Ear

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Journal of Behavioral and Brain Science 2013年第7期3卷 534-555页

作者： Sonia M. Rocha-Sanchez Laura R. Scheetz Sabrina Siddiqi Michael W. Weston Lynette M. smith kate Dempsey Hesham Ali JoAnn McGee Edward J. Walsh College of Information Science and Technology University of Nebraska at Omaha Omaha USA College of Public Health University of Nebraska Medical Center Omaha USA Department of Oral Biology Creighton University School of Dentistry Omaha USA Developmental Auditory Physiology Laboratory Boys Town National Research Hospital Omaha USA

Loss of postnatal mammalian auditory hair cells (HCs) is irreversible. Earlier studies have highlighted the importance of the Retinoblastoma family of proteins (pRBs) (i.e., Rb1, Rbl1/p107, and Rbl2/p130) in the auditory cells’ proliferation and emphasized our lack of information on their specific roles in the auditory system. We have previously demonstrated that lack of Rbl2/p130 moderately affects HCs’ and supporting cells’ (SCs) proliferation. Here, we present evidence supporting multiple roles for Rbl1/p107 inthe developing and mature mouse organ of Corti (OC). Like other pRBs, Rbl1/p107 is expressed in the OC, particularly in the Hensen’s and Deiters’ cells. Moreover, Rbl1/p107 impacts maturation and postmitotic quiescence of HCs and SCs, as evidenced by enhanced numbers of these cells and the presence of dividing cells in the postnatal Rbl1/p107-/-OC. These findings were further supported by microarray and bioinformatics analyses, suggesting downregulation of several bHLH molecules, as well as activation of the Notch/Hes/Hey signaling pathway in homozygous Rbl1/p107 mutant mice. Physiological assessments and detection of ectopic HC marker expression in postnatal spiral ganglion neurons (SGNs) provided evidence for incomplete cell maturation and differentiation in Rbl1/p107﹣/﹣OC. Collectively, the present study highlights an important role for Rbl1/p107 inOC cell differentiation and maturation, which is distinct from other pRBs.

关键词： Rbl1/p107 Inner Ear Proliferation Differentiation Hair Cells Supporting Cells

History and Progress of the North American Soil Geochemical Landscapes Project,2001-2010

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地学前缘 2012年第3期19卷 19-32页

作者： David B.smith William F.Cannon Laurel G.Woodruff Francisco Moreira Rivera Andrew N.Rencz Robert G.Garrett US Geological Survey MS 973 Denver CO 80225 USA US Geological Survey MS 9541 Reston VA 20192 USA US Geological Survey 2280 Woodale Drive St. Paul MN 55112 USA Servicio Geologico Mexicano 78280 San Luis Potosl S. L. P. Mexrico Geological Survey of Canada Natural Resources Canada 601 Booth St. Ottawa ON Canada K IA OE8

In 2007,the *** Survey,the Geological Survey of Canada,and the Mexican Geological Survey initiated a low-density(1 site per 1600 km2,13323 sites) geochemical and mineralogical survey of North American soils(North American Soil Geochemical Landscapes Project).Sampling and analytical protocols were developed at a series of workshops in 2003-2004 and pilot studies were conducted from *** ideal sampling protocol at each site includes a sample from 0-5 cm depth,a composite of the soil A horizon,and a sample from the soil C *** <2-mm fraction of each sample is analyzed for Al,Ca,Fe,K,Mg,Na,S,Ti,Ag,Ba,Be,Bi,Cd,Ce,Co,Cr,Cs,Cu,Ga,In,La,Li,Mn,Mo,Nb,Ni,P,Pb,Rb,Sb,Sc,Sn,Sr,Te,Th,Tl,U,V,W,Y,and Zn by inductively coupled plasma-mass spectrometry and inductively coupled plasma-atomic emission spectrometry following a near-total digestion in a mixture of HCl,HNO3,HClO4,and *** methods are used for As,Hg,Se,and total C on this same size *** major mineralogical components are determined by a quantitative X-ray diffraction *** in the conterminous *** completed in 2010(c.4800 sites) with chemical and mineralogical analysis currently *** Mexico,approximately 66% of the sampling(871 sites) had been done by the end of 2010 with completion expected in *** completing sampling in the Maritime provinces and portions of other provinces(472 sites,7.6% of the total),Canada withdrew from the project in *** results for a swath from the central *** Florida clearly show the effects of soil parent material and climate on the chemical and mineralogical composition of soils.A sample archive will be established and made available for future investigations.

关键词：墨西哥地质学电感耦合等离子体

A solution scan of societal options to reduce transmission and spread of respiratory viruses:SARS-CoV-2 as a case study

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Journal of Biosafety and Biosecurity 2021年第2期3卷 84-90页

作者： William J.Sutherland Nigel G.Taylor David C.Aldridge Philip Martin Catherine Rhodes Gorm Shackelford Simon Beard Haydn Belfield Andrew J.Bladon Cameron Brick Alec P.Christie Andrew P.Dobson Harriet Downey Amelia S.C.Hood Fangyuan Hua Alice C.Hughes Rebecca M.Jarvis Douglas MacFarlane William H.Morgan Anne-ChristineMupepele Stefan J.Marciniak Cassidy Nelson SeánÓhÉigeartaigh Clarissa Rios Rojas Katherine A.Sainsbury Rebecca K.smith Lalitha S.Sundaram Ann Thornton John Watkins Thomas B.White kate Willott Silviu O.Petrovan BioRISC(Biosecurity Research Initiative at St Catharine’s) St Catharine’s CollegeCambridge CB21RLUK Department of Zoology University of CambridgeThe David Attenborough BuildingPembroke StreetCambridge CB23QZUK Tour du Valat Research Institute for the Conservation of Mediterranean Wetlands13200 ArlesFrance Centre for the Study of Existential Risk University of CambridgeCB21SBUK Department of Social Psychology University of AmsterdamNieuwe Achtergracht 129 B1018 WT AmsterdamNetherlands Department of Ecology and Evolutionary Biology 117 Eno HallPrinceton UniversityNJ 08544USA Institute of Ecology College of Urban and Environmental SciencesPeking UniversityBeijing 100871PR China Centre for Integrative Conservation Xishuangbanna Tropical Botanical GardenChinese Academy of SciencesXishuangbannaYunnan 666303PR China Te Kura Putaiao-School of Science Auckland University of TechnologyAucklandNew Zealand School of Psychological Sciences University of Western AustraliaPerth35 Stirling HwyCrawley WA 6009Australia Nature Conservation and Landscape Ecology Biometry and Environmental System AnalysisUniversity of FreiburgGermany Cambridge Institute for Medical Research University of CambridgeCambridge Biomedical CampusThe Keith Peters BuildingHills RoadCambridge CB20XYUK Future of Humanity Institute University of OxfordOxford OX11PTUK Faculty of Kinesiology Sportand RecreationUniversity of Alberta2-130V Van Vliet 21 Complex(University Hall)EdmontonAlberta T6G 2H9Canada Division of Population Medicine School of MedicineCardiff UniversityCardiff CF144YSUK

Societal biosecurity–measures built into everyday society to minimize risks from pests and diseases–is an important aspect of managing epidemics and *** aimed to identify societal options for reducing the transmission and spread of respiratory *** used SARS-CoV-2(severe acute respiratory syndrome coronavirus 2)as a case study to meet the immediate need to manage the COVID-19 pandemic and eventually transition to more normal societal conditions,and to catalog options for managing similar pandemics in the *** used a‘solution scanning’*** read the literature;consulted psychology,public health,medical,and solution scanning experts;crowd-sourced options using social media;and collated comments on a ***,we present a list of 519 possible measures to reduce SARS-CoV-2 transmission and *** provide a long list of options for policymakers and businesses to consider when designing biosecurity plans to combat SARS-CoV-2 and similar pathogens in the *** also developed an online application to help with this *** encourage testing of actions,documentation of outcomes,revisions to the current list,and the addition of further options.

关键词： Biosecurity Coronavirus COVID-19 Disease control New normal Public health