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HDpairFinder:A data processing platform for hydrogen/deuterium isotopic labeling-based nontargeted analysis of trace-level amino-containing chemicals in environmental water

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Journal of Environmental Sciences 2024年第2期136卷 583-593页

作者： Tingting Zhao Kristin carroll Caley B.Craven Nicholas J.p.Wawryk Shipei Xing Jian Guo Xing-Fang Li Tao Huan Department of Chemistry Faculty of ScienceUniversity of British ColumbiaVancouver Campus2036 Main MallVancouverBritish ColumbiaV6T 1Z1Canada Division of Analytical and Environmental Toxicology Department of Laboratory Medicine and PathologyFaculty of Medicine and DentistryUniversity of AlbertaEdmontonAlberta T6G 2G3Canada

The combination of hydrogen/deuterium(H/D)formaldehyde-based isotopic methyl labeling with solid-phase extraction and high-performance liquid chromatography–high resolution mass spectrometry(HpLC-HRMS)is a powerful analytical solution for nontargeted analysis of trace-level amino-containing chemicals in water *** the huge amount of chemical information generated in HpLC-HRMS analysis,identifying all possible H/Dlabeled amino chemicals presents a significant challenge in data *** address this,we designed a streamlined data processing pipeline that can automatically extract H/D-labeled amino chemicals from the raw HpLC-HRMS data with high accuracy and ***,we developed a cross-correlation algorithm to correct the retention time shift resulting from deuterium isotopic effects,which enables reliable pairing of H-and D-labeled ***,we implemented several bioinformatic solutions to remove false chemical features generated by in-source fragmentation,salt adduction,and natural13C ***,we used a data mining strategy to construct the AMINES library that consists of over 38,000 structure-disjointed primary and secondary amines to facilitate putative compound ***,we integrated these modules into a freely available R program,*** rationale of each module was justified and its performance tested using experimental H/D-labeled chemical standards and authentic water *** further demonstrated the application of HDpairFinder to effectively extract N-containing contaminants,thus enabling the monitoring of changes of primary and secondary N-compounds in authentic water *** is a reliable bioinformatic tool for rapid processing of H/D isotopic methyl labeling-based nontargeted analysis of water samples,and will facilitate a better understanding of N-containing chemical compounds in water.

关键词： Isotope labeling Nontargeted analysis Reactive N-compounds HpLC-HRMS Source water

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Mechanistic insight into Cr(Ⅵ)retention by Si-containing ferrihydrite

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Journal of Environmental Sciences 2024年第5期139卷 217-225页

作者： Ying Hu Qiang Xue Honghan Chen Huaming Guo Kenneth C.carroll Song Wang MOE Key Laboratory of Groundwater Circulation and Environmental Evolution School of Water Resources and EnvironmentChina University of Geosciences(Beijing)Beijing 100083China Beijing Key Laboratory of Water Resources and Environmental Engineering School of Water Resources and EnvironmentChina University of GeosciencesBeijing 100083China State Key Laboratory of Biogeology and Environmental Geology China University of GeosciencesBeijing 100083China plant&Environmental Science New Mexico State UniversityNM 88003USA Institute of Theoretical Chemistry College of ChemistryJilin UniversityChangchun 130023China

Hexavalent chromium[Cr(Ⅵ)]causes serious harm to the environment due to its high toxicity,solubility,and ***(Fh)are the main adsorbent and trapping agent of Cr(Ⅵ)in soils and aquifers,and they usually coexist with silicate(Si),forming Si-containing ferrihydrite(Si-Fh)***,the mechanism of Cr(Ⅵ)retention by Si-Fh mixtures is poorly *** this study,the behaviors and mechanisms of Cr(Ⅵ)adsorption onto Si-Fh with different Si/Fe molar ratios was *** electron microscope,Fourier transform infrared spectroscopy,X-ray diffraction,X-ray photoelectron spectroscopy,and other techniques were used to characterize Si-Fh and Cr(Ⅵ)-loading of *** results show that specific surface area of Si-Fh increases gradually with increasing Si/Fe ratios,but Cr(Ⅵ)adsorption on Si-Fh decreases with increasing Si/Fe *** is because with an increase in Si/Fe molar ratio,the point of zero charge of Si-Fh gradually decreases and electrostatic repulsion between Si-Fh and Cr(Ⅵ)***,the complexation of Cr(Ⅵ)is enhanced due to the increase in adsorbed hydroxyl(A-OH-)on Si-Fh with increasing Si/Fe molar ratio,which partly counteracts the effect of the electrostatic ***,the increase in the electrostatic repulsion has a greater impact on adsorption than the additional complexation with *** functional theory calculation further supports this observation,showing the increases in electron variation of bonding atoms and reaction energies of inner spherical complexes with the increase in Si/Fe ratio.

关键词： Hexavalent chromium Ferrihydrite Si/Fe ratio Cr(Ⅵ)Adsorption

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Social determinants of gastrointestinal malformation mortality in Brazil:a national study

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World Journal of pediatric Surgery 2024年第2期7卷 134-141页

作者： Ayla Gerk Amanda Rosendo Luiza Telles Aricia Gomes Miranda Madeleine carroll Bruna Oliveira Trindade Sarah Bueno Motter Esther Freire Gabriella Hyman Julia Ferreira Fabio Botelho Roseanne Ferreira David p Mooney Joaquim Bustorff-Silva program in Global Surgery and Social Change Harvard Medical SchoolBostonMassachusettsUSA Faculty of Medicine and Health Sciences McGill UniversityMontrealQuebecCanada Harvey E.Beardmore Division of pediatric Surgery The Montreal Children's HospitalMcGill University Health CentreMontrealQuebecCanada Department of Surgery Universidade Estadual de Campinas(UNICAMP)CampinasBrazil Instituto de Educação Médica(IDOMED/Estácio Campus Vista Carioca)Rio de JaneiroBrazil Faculty of Medicine Universidade Federal do Delta do ParnaibaParnaibaPiauiBrazil Universidade Federal de Ciencias da Saude de porto Alegre Porto AlegreBrazil Universidade Federal da Bahia SalvadorBrazil Department of Health Research Methods McMaster UniversityHamiltonSouthern OntarioCanada Department of pediatric Surgery Boston Children's HospitalBostonMassachusettsUSA

Introduction In Brazil,approximately 5%are born with a congenital disorder,potentially fatal without *** study aims to evaluate the relationship between gastrointestinal congenital malformation(GICM)mortality,health indicators,and socioeconomic factors in *** GICM admissions(Q39-Q45)between 2012 and 2019 were collected using national *** demographics,socioeconomic factors,clinical management,outcomes,and the healthcare workforce density were also accounted *** Surgical Workforce density and the number of neonatal intensive care units in a region were extracted from national datasets and combined to create a clinical index termed'NeoSurg'.Socioeconomic variables were combined to create a socioeconomic index termed SocEcon'.Simple linear regression was used to investigate if the temporal changes of both indexes were *** correlation between mortality and the different indicators in Brazil was evaluated using pearson's correlation *** Over 8 years,Brazil recorded 12804 GICM *** Southeast led with 6147 cases,followed by the Northeast(2660),South(1727),North(1427),and Midwest(843).The North and Northeast reported the highest mortality,lowest NeoSurg,and SocEcon Index ***,mortality rates declined across regions from 7.7%(2012)to 3.9%(2019),a 51.7%*** North and Midwest experienced the most substantial reductions,at 63%and 75%,*** significantly correlated with the indexes in nearly all regions(ppediatric *** findings provide an opportunity to rethink and discuss new indicators that could enhance our understanding of our country and could lead to the development of necessary solutions to tackle existing challenges in Brazil and globally.

关键词： Northeast Brazil globally

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Enhanced entropy generation and heat transfer characteristics of magnetic nano-encapsulated phase change materials in latent heat thermal energy storage systems

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Applied Mathematics and Mechanics(English Edition) 2024年第6期45卷 1051-1070页

作者： p.S.REDDY p.SREEDEVI Department of Mathematics Rajeev Gandhi Memorial College of Engineering and TechnologyNandyal 518501India

The objective of the current study is to investigate the importance of entropy generation and thermal radiation on the patterns of velocity,isentropic lines,and temperature contours within a thermal energy storage device filled with magnetic nanoencapsulated phase change materials(NEpCMs).The versatile finite element method(FEM)is implemented to numerically solve the governing *** effects of various parameters,including the viscosity parameter,ranging from 1 to 3,the thermal conductivity parameter,ranging from 1 to 3,the Rayleigh parameter,ranging from 102 to 3×10^(2),the radiation number,ranging from 0.1 to 0.5,the fusion temperature,ranging from 1.0 to 1.2,the volume fraction of NEpCMs,ranging from 2%to 6%,the Stefan number,ranging from 1 to 5,the magnetic number,ranging from 0.1 to 0.5,and the irreversibility parameter,ranging from 0.1 to 0.5,are examined in detail on the temperature contours,isentropic lines,heat capacity ratio,and velocity ***,the heat transfer rates at both the cold and hot walls are analyzed,and the findings are presented *** results indicate that the time taken by the NEpCMs to transition from solid to liquid is prolonged inside the chamber region as the fusion temperatureθf ***,the contours of the heat capacity ratio Cr decrease with the increase in the Stefan number Ste.

关键词： volume fraction of nano-encapsulated phase change material(NEpCM) radiation Stefan number heat capacity ratio entropy generation

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A Hybrid Optimization Approach of Single point Incremental Sheet Forming of AISI 316L Stainless Steel Using Grey Relation Analysis Coupled with principal Component Analysiss

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 160-166页

作者： A Visagan p Ganesh Department of production Technology Madras Institute of TechnologyChennai-600044India

We investigated the parametric optimization on incremental sheet forming of stainless steel using Grey Relational Analysis(GRA) coupled with principal Component Analysis(pCA). AISI 316L stainless steel sheets were used to develop double wall angle pyramid with aid of tungsten carbide tool. GRA coupled with pCA was used to plan the experiment conditions. Control factors such as Tool Diameter(TD), Step Depth(SD), Bottom Wall Angle(BWA), Feed Rate(FR) and Spindle Speed(SS) on Top Wall Angle(TWA) and Top Wall Angle Surface Roughness(TWASR) have been studied. Wall angle increases with increasing tool diameter due to large contact area between tool and workpiece. As the step depth, feed rate and spindle speed increase,TWASR decreases with increasing tool diameter. As the step depth increasing, the hydrostatic stress is raised causing severe cracks in the deformed surface. Hence it was concluded that the proposed hybrid method was suitable for optimizing the factors and response.

关键词： single point incremental forming AISI 316L taguchi grey relation analysis principal component analysis surface roughness scanning electron microscopy

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Cryogenic and conventional milling of AZ91 magnesium alloy

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Journal of Magnesium and Alloys 2024年第6期12卷 2503-2519页

作者： Vikas Marakini Srinivasa pai p Gururaj Bolar Bhaskara p Achar Department of Mechanical Engineering Nitte(Deemed to be University)NMAM Institute of Technology(NMAMIT)Nitte 574110India Department of Mechanical and Industrial Engineering Manipal Institute of TechnologyManipal Academy of Higher EducationManipal 576104India

Use of magnesium is the need of the hour due to its low density as well as its high strength-to-weight and stiffness-to-weight ratio *** study focuses on the effectiveness of liquid nitrogen(LN_(2))assisted cryogenic machining on the surface integrity(SI)characteristics of AZ91 magnesium *** milling using uncoated carbide inserts have been performed under liquid nitrogen(LN_(2))assisted cryogenic condition and compared with conventional(dry)*** are performed using machining parameters in terms of cutting speeds of 325,475,625 m/min,feed rates of 0.05,0.1,0.15 mm/teeth and depth of cuts of 0.5,1,1.5 mm *** significant surface integrity characteristics such as surface roughness,microhardness,microstructure,and residual stresses have been *** of SI characteristics with respect to milling parameters have been identified using statistical technique such as ANOVA and signal-to-noise(S/N)ratio ***,the multi criteria decision making(MCDM)techniques such as additive ratio assessment method(ARAS)and complex proportional assessment(COpRAS)have been utilized to identify the optimal conditions for milling AZ91 magnesium alloy under both dry and cryogenic *** of LN_(2)during machining,resulted in reduction in machining temperature by upto 29%with a temperature drop from 251.2℃under dry condition to 178.5℃in cryogenic *** showed the advantage of performing cryogenic milling in improving the surface integrity to a significant *** machining considerably minimized the roughness by upto 28%and maximised the microhardness by upto 23%,when compared to dry *** speed has caused significant impact on surface roughness(95.33%-dry,92.92%-cryogenic)and surface microhardness(80.33%-dry,82.15%-cryogenic).Due to the reduction in machining temperature,cryogenic condition resulted in compressive residual stresses(maximumσ║=-113 Mpa)on the alloy *** indicate no

关键词： Magnesium alloy Cryogenic machining Roughness Microhardness Microstructure Residual stress Multi criteria decision making

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prader-Willi Syndrome and the Use of Medical Nutrition Therapy

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Case Reports in Clinical Medicine 2024年第8期13卷 339-344页

作者： Alexis Howarth Cameron carroll Madison Battersby Stephen Brown JuliSu DiMucci-Ward Department of Nutrition Edward Via College of Osteopathic Medicine Spartanburg South Carolina USA

Title: Integrating Consistent Individualized Carbohydrate-Controlled Anti- Inflammatory Nutritional plan (C-ICAN) in the Management of prader-Willi Syndrome: A Case Report. prader–Willi syndrome (pWS) is a rare genetic disorder caused by a loss of function of specific genes on chromosome 15. patients with this disease present unique challenges in management, particularly regarding obesity and nutritional regulation as the disease symptoms change depending on the age of the patient and the phase of the disease. These challenges pose critical stressors to caregivers and their families. We present a case report of a 5-year-old Caucasian male diagnosed with pWS, exhibiting failure to thrive and uncontrolled weight gain. His caregiver was his elderly grandmother who, by her own admission, was ill-equipped to deal with the patient’s physical symptoms and his behavior in response to dietary restrictions. Through a multidisciplinary approach involving medical nutrition therapy (MNT) involving the implementation of a Consistent Individualized Carbohydrate-Controlled Anti-Inflammatory Nutritional plan (C-ICAN), growth hormone supplementation, and behavioral interventions patient markedly improved physically and emotionally.

关键词： prader-Willi Syndrome Growth Hormone Medical Nutrition Therapy Eating Control Obesity

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Z0011试验:是术前评估乳腺癌病人进行腋窝超声检查的终点吗?

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国际医学放射学杂志 2015年第6期 598-598页

作者： T.p.J.Farrell N.C.Adams M.Stenson p.a.carroll M.Griffin E.M.Connolly 于静 Department of Radiology St James ’s Hospital

摘要目的 Z0011试验质疑前哨淋巴结(SLN)阳性≤2个的乳腺癌病人术前分期进行腋窝超声(Ax US)检查的意义。本研究旨在对Ax US发现的异常淋巴结数目与最终淋巴

关键词：腋窝超声乳腺癌乳腺肿瘤淋巴结淋巴组织病人

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On the functions of astrocyte-mediated neuronal slow inward currents

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Neural Regeneration Research 2024年第12期19卷 2602-2612页

作者： Balázs pál Department of physiology Faculty of MedicineUniversity of DebrecenDebrecenHungary

Slow inward currents are known as neuronal excitatory currents mediated by glutamate release and activation of neuronal extra synaptic N-met hyl-D-aspartate receptors with the contribution of *** events are significantly slower than the excitatory postsynaptic *** of slow inward currents are determined by seve ral factors including the mechanisms of astrocytic activation and glutamate release,as well as the diffusion pathways from the release site towards the extra synaptic recepto *** are stimulated by neuronal network activity,which in turn excite neurons,forming an astrocyte-neuron feedback *** as a consequence of brain edema,astrocytic swelling can also induce slow inward currents under pathological *** is a growing body of evidence on the roles of slow inward currents on a single neuron or local network *** events often occur in synchro ny on neurons located in the same astrocytic *** synchronization of neuronal excitability,slow inward currents also set synaptic strength via eliciting timing-dependent synaptic *** addition,slow inward currents are also subject to non-synaptic plasticity triggered by long-la sting stimulation of the excitatory *** note,there might be important regionspecific differences in the roles and actions triggering slow inward *** greater networks,the pathophysiological roles of slow inward currents can be better understood than physiological *** inward currents are identified in the pathophysiological background of autism,as slow inward currents drive early hypersynchrony of the neural *** inward currents are significant contributors to paroxysmal depolarizational shifts/interictal *** events are related to epilepsy,but also found in Alzheimer's disease,parkinson's disease,and stroke,leading to the decline of cognitive *** with features overlapping with slow inward currents(excitatory,N-methyl-Dasp

关键词： astrocyte cortical spreading depolarization gliotransmission glutamate neural synchronization NMDA receptor paroxysmal depolarizational shift slow inward current

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An Efficient Approach to Escalate the Speed of Training Convolution Neural Networks

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China Communications 2024年第2期21卷 258-269页

作者： p pabitha Anusha Jayasimhan Department of Computer Technology Anna UniversityMadras Institute of Technology CampusChennai 600044India

Deep neural networks excel at image identification and computer vision applications such as visual product search, facial recognition, medical image analysis, object detection, semantic segmentation,instance segmentation, and many others. In image and video recognition applications, convolutional neural networks(CNNs) are widely employed. These networks provide better performance but at a higher cost of computation. With the advent of big data, the growing scale of datasets has made processing and model training a time-consuming operation, resulting in longer training times. Moreover, these large scale datasets contain redundant data points that have minimum impact on the final outcome of the model. To address these issues, an accelerated CNN system is proposed for speeding up training by eliminating the noncritical data points during training alongwith a model compression method. Furthermore, the identification of the critical input data is performed by aggregating the data points at two levels of granularity which are used for evaluating the impact on the model *** experiments are conducted using the proposed method on CIFAR-10 dataset on ResNet models giving a 40% reduction in number of FLOps with a degradation of just 0.11% accuracy.

关键词： CNN deep learning image classification model compression

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