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Nontargeted identification of peptides and disinfection byproducts in water

Journal of Environmental Sciences 2016年第4期28卷 259-266页

作者： Yanan Tang Ying Xu Feng Li lindsay jmaiff Steve E.Hrudey Xing-Fang Li Division of Analytical and Environmental Toxicology Department of Laboratory Medicine and PathologyUniversity of Alberta Department of Computer Science University of Alberta

A broad range of organic compounds are known to exist in drinking water sources and serve as precursors of disinfection byproducts（DBPs）.Epidemiological findings of an association of increased risk of bladder cancer with the consumption of chlorinated water has resulted in health concerns about *** are thought to be an important category of DBP precursors in ***,little is known about the actual presence of peptides and their DBPs in drinking water because of their high sample complexity and low *** address this challenge and identify peptides and non-chlorinated/chlorinated peptide DBPs from large sets of organic compounds in water,we developed a novel high throughput analysis strategy,which integrated multiple solid phase extraction（SPE）,high performance liquid chromatography（HPLC）separation,and non-target identification using precursor ion exclusion（PIE）high resolution mass spectrometry（MS）.After MS analysis,structures of candidate compounds,particularly peptides,were obtained by searching against the Human Metabolome Database（HMDB）.Using this strategy,we successfully detected 625 peptides（out of 17,205 putative compounds）and 617 peptides（out of 13,297）respectively in source and finished water *** source and finished water samples had 501 peptides and amino acids in *** remaining 116 peptides and amino acids were unique to the finished *** a subset of 30 putative compounds for which standards were available,25 were confirmed using HPLC-MS *** analyzing the peptides identified in source and finished water,we successfully confirmed three disinfection reaction pathways that convert peptides into toxic DBPs.

关键词： Nontargeted detection Water analysis Mass spectrometry Peptide Disinfection byproducts

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New methods for identification of disinfection byproducts of toxicological relevance: Progress and future directions

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Journal of Environmental Sciences 2021年第1期33卷 151-159页

作者： Nicholas J.P.Wawryk Caley B.Craven lindsay K.jmaiff Blackstock Xing-Fang Li Division of Analytical and Environmental Toxicology Department of Laboratory Medicine and PathologyFaculty of Medicine and DentistryUniversity of AlbertaEdmontonABT6G 2G3Canada

Disinfection byproducts(DBPs)represent a ubiquitous source of chemical exposure in disinfected *** over 700 DBPs have been identified,the drivers of toxicity remain poorly ***,ever evolving water treatment practices have led to a continually growing list of *** of analytical technologies have enabled the identification of new classes of DBPs and the quantification of these chemically diverse sets of *** we summarize advances in new workflows for DBP analysis,including sample preparation,chromatographic separation with mass spectrometry(MS)detection,and data *** aid in the selection of techniques for future studies,we discuss necessary considerations for each step in the *** review focuses on how each step of a workflow can be optimized to capture diverse classes of DBPs within a single ***,we highlight new MS-based approaches that can be powerful for identifying novel DBPs of toxicological *** discuss current challenges and provide perspectives on future research directions with respect to studying new DBPs of toxicological *** analytical technologies continue to advance,new strategies will be increasingly used to analyze complex DBPs produced in different treatment processes with the aim to identify potential drivers of toxicity.

关键词： Water disinfection byproducts(DBPs) Emerging contaminants Mass spectrometry Chromatography Nontargeted analysis Toxicity drivers

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Keep swimming but stop peeing in the pools

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Journal of Environmental Sciences 2017年第3期29卷 322-325页

作者： Qi Zheng lindsay K.jmaiff Blackstock Wenchao Deng Hailin Wang X.Chris Le Xing-Fang Li Key Laboratory of Optoelectronic Chemical Materials and Devices Ministry of EducationInstitute of Environment and HealthJianghan University Division of Analytical and Environmental Toxicology Department of Laboratory Medicine and PathologyFaculty of Medicine and DentistryUniversity of Alberta State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of Sciences

Swimming is excellent exercise and offers many health benefits. However, the ＂chlorine smell＂ in swimming pools may be a turn-off for some people. Although this smell is often thought to be of chlorine, it actually comes from volatile compounds that are produced from unintended reactions between disinfectants （e.g., chlorine） and organic matter in the water （Li and Blatchley, 2007; Zwiener et al., 2007; Schmalz et al., 2011; Daiber et al., 2016）. Body fluids, such as sweat and urine, are among the sources of this organic matter that contribute to the formation of disinfection byproducts （DBPs）（Richardson et al., 2007; Arnaud, 2016; Tang et al., 2016）.

关键词： Swimming poolAcesulfame potassium (ACE)Artificial sweetenersDisinfection byproducts (DBPs)Dissolved organic carbon (DOC)Human urineSwimmer hygieneWater quality

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质谱在饮用水的研究（英文）

质谱在饮用水的研究（英文）

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第三届全国质谱分析学术报告会

作者： Guang Huang Ping Jiang lindsay jmaiff Blackstock Xing-Fang Li Division of Analytical and Environmental Toxicology University of Alberta

Surface water contains dissolved organic nitrogen. The majority（＜10 kDa） of nitrogenous compounds, like peptides, survive water treatment processes. Peptides could react with disinfectants to form complex halogenated peptides during water disinfection. Little is known about halogenated peptides in drinking water. We report the approaches for identification of various chloro-peptides and their precursors in drinking water using complementary mass spectrometry techniques. First to identify precursor peptides in source water, we developed a novel high throughput analysis strategy. The method integrates three parallel solid phase extractions（SPE） and two complementary high performance liquid chromatography（HPLC） separations with non-target identification using precursor ion exclusion（PIE）-high resolution mass spectrometry. Next, we identified N-chlorinated peptides in model solution and drinking water using high-resolution mass spectrometry（HRMS）, HRMS/MS and HPLC-MS/MS with multiple reaction monitoring（MRM） mode. Finally to evaluate stability and quantify the occurrence of identified N-halogenated peptides in drinking water, we used HPLC-MS/MS with multiple reaction monitoring（MRM） mode. Using three complimentary SPE cartridges maximized the extraction efficiency of organic compounds from authentic water samples. The complementary HPLC techniques improved the retention and separation of various compounds of different hydrophobicity. With advanced PIE capabilities we were able to identify peptides at trace levels. Using the non-target strategy, we detected 625 peptides and 617 peptides respectively in source and finished water samples, which were collected from a full-scale drinking water treatment plant. Of these, 124 unique peptides were detected exclusively in source water. We chose 10 peptides and tested their potential to form halogenated peptides during disinfection in both model solution and authentic water samples. Using LCMS/MS-MRM we found that different halog

关键词： targeted and nontargeted MS analysis disinfection byproducts drinking water safety

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质谱鉴别水中N位和侧链C位取代的氯化肽

质谱鉴别水中N位和侧链C位取代的氯化肽

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第五届全国原子光谱及相关技术学术会议

作者： Ping Jiang Guang Huang lindsay jmaiff Blackstock Dayong Tian Xing-Fang Li Division of Analytical and Environmental Toxicology University of Alberta

肽和蛋白质作为水中有机物的主要组成部分,在氯消毒过程中,易与氯发生反应形成氯代的消毒副产物。肽段的端氨基和部分侧链均可参与氯代反应,生成N位(Cl-N)和侧链C位(Cl-C)取代的氯化肽段。氯化肽可能导致饮用水气味和味道问题,并且一些... 详细信息

肽和蛋白质作为水中有机物的主要组成部分,在氯消毒过程中,易与氯发生反应形成氯代的消毒副产物。肽段的端氨基和部分侧链均可参与氯代反应,生成N位(Cl-N)和侧链C位(Cl-C)取代的氯化肽段。氯化肽可能导致饮用水气味和味道问题,并且一些可能具有比受控消毒副产物更高的毒性。由于种类繁多和浓度较低,常规方法很难鉴别这些氯化肽.针对此问题,我们发展了一系列分析策略用于鉴别N位(Cl-N)和侧链C位(Cl-C)取代的氯化肽段,并对其进行了准确定量。首先,建立了一种抗坏血酸预处理和HPLC-MS/MS的方法,可以同时区分和鉴定N位和侧链C位取代的氯化肽段.采用此方法在模拟消毒水样中成功鉴定到50多种氯化肽段。随后,根据氯化肽段的一级和二级质谱数据,建立了质谱多反应监测(MRM)方法,通过固相萃取,该方法对水样中氯化肽段的检测限低至ng/L,并在自来水样中首次鉴定到十二种新的氯化肽段。结合肽段的结构,我们所建立的方法预测水体中可能含有数千种氯化肽段,对发现更多氯化肽段具有重要的意义。

关键词：消毒副产物氯化肽段质谱多反应检测MRM

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Molecular basis of ataxia telangiectasia and related diseases

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Acta Pharmacologica Sinica 2005年第8期26卷 897-907页

作者： lindsay G Ball Department of Microbiotogy and Lmmunology University of Saskatchewan S7n 5E5 SK Canada Saskatoon

Ataxia telangiectasia (AT) is a rare human disease characterized by extreme cellular sensitivity to radiation and a predisposition to cancer, with a hallmark of onset in early childhood. Several human diseases also share similar symptoms with AT albeit with different degrees of severity and different associated disorders. While all AT patients contain mutations in the AT-mutated gene (ATM), most other AT-like disorders are defective in genes encoding an MRN protein complex consisting of Mre11, Rad50 and Nbs1. Both ATM and MRN function as cellular sensors to DNA double-strand breaks, which lead to the recruitment and phosphorylation of an array of substrate proteins involved in DNA repair, apoptosis and cell-cycle cbeckpoints, as well as gene regulation, translation initiation and telomere maintenance. ATM is a member of the family of phosphatidylinositol 3-kinase-like protein kinases (PIKK), and the discovery of many ATM substrates provides the underlying mechanisms of heterologous symptoms among AT patients. This review article focuses on recent findings related to the initial recognition of double-strand breaks by ATM and MRN, as well as a DNA-dependent protein kinase complex consisting of the heterodimer Ku70/Ku80 and its catalytic subunit DNA-PKcs, another member of PIKK. This possible interaction suggests that a much greater complex is involved in sensing, transducing and co-ordinating cellular events in response to genome instability.

关键词： ataxia telangiectasia DNA damage DNA repair cdc genes phosphotransferases

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Primitive to conventional geometry projection for efficient phonon transport calculations

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npj Computational Materials 2023年第1期9卷 365-371页

作者： Xun Li Simon Thébaud Lucas lindsay Materials Science and Technology Division Oak Ridge National LaboratoryOak RidgeTNUSA Univ Rennes INSA RennesCNRSInstitut FOTON-UMR 6082RennesFrance

The primitive Wigner-Seitz cell and corresponding first Brillouin zone(FBZ)are typically used in calculations of lattice vibrational and transport properties as they contain the smallest number of degrees of freedom and thus have the cheapest computational ***,in complex materials,the FBZ can take on irregular shapes where lattice symmetries are not ***,conventional cells(with more atoms and regular shapes)are often used to describe materials,though dynamical and transport calculations are more *** we discuss an efficient anharmonic lattice dynamic method that maps conventional cell dynamics to primitive cell dynamics based on translational *** symmetries have not been utilized in typical lattice dynamical *** leads to phase interference conditions that act like conserved quantum numbers and a conservation rule for phonon scattering that is hidden in conventional dynamics which significantly reduces the computational *** demonstrate this method for phonon transport in a variety of materials with inputs from first-principles calculations and attribute its efficiency to reduced scattering phase space and fewer summations in scattering matrix element calculations.

关键词： phonon conventional primitive

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What do coaches want to know about sports-related concussion?A needs assessment study

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Journal of Sport and Health Science 2018年第1期7卷 102-108页

作者： lindsay Sullivan Michal Molcho School of Health Sciences Discipline of Health Promotion NUI Galway School of Arts Social Sciences and Celtic Studies Children’s Studies Programme NUI Galway

Purpose: This study aims to identify the concussion-related training and education needs of Gaelic Athletic Association(GAA) coaches in Ireland,as well as the preferred method of concussion education ***: We used a self-report questionnaire to collect data from a convenience sample of 108 GAA coaches in Ireland. Data were captured on(1) informational needs and desires,(2) preferred methods of delivery, and(3) concussion practices and procedures. Questionnaires were completed electronically from June 3 rd–September 29 th, ***: Coaches indicated that they were most interested in receiving information about the(1) signs and symptoms of concussion,(2) assessment of concussion, and(3) return-to-play guidelines. Over two-thirds of participants indicated that in-person training would be the most effective mode of delivery of concussion education for this population. Additionally, only 10% coaches reported that before the start of the season they talked to their athletes about concussion management and safety, and this was more common among coaches who reported being formally educated about ***: Our findings reveal a disconnect between the concussion education needs and the education that is currently provided to GAA coaches, in terms of content and delivery modality. Our results suggest a need for a multifaceted approach to concussion education, tailored to the needs and learning preferences of the target population.

关键词： Coaches Concussion Concussion education GAA Mild traumatic brain injury Needs assessment

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Personality and behavioral changes in Asian elephants(Elephas maximus)following the death of herd members

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Integrative Zoology 2021年第2期16卷 170-188页

作者： Lucy RUTHERFORD lindsay E.MURRAY School of Psychology University of ChesterChesterUK

Elephants are highly social beings with complex individual *** know that elephants have a general interest in death,investigating carcasses,not just limited to kin;however,research does not explore in depth whether individuals change their behavior or personality following traumatic events,such as the death of a *** a captive herd of Asian elephants(Elephas maximus)housed at Chester Zoo,UK,we measured social behavior and proximity and personality using the Ten-Item Personality Inventory,and found age-related and relationship-related changes in both behavior and personality following the deaths of herd ***,the herd spent less time socializing and engaging in affiliative behaviors following the death of the adult female when compared to baseline data,yet spent more time engaging in these behaviors after the death of two *** death of the central female had a dramatic impact on her infant calf,resulting in increasingly withdrawn behavior,yet had the opposite effect on her adult daughter,who subsequently established a more integrated role within the *** Stability fell in the motherless calf but rose in an adult female,who had lost her adult daughter,but had a new calf to care *** suggest that the greater impact on the behavior and personality of surviving herd members following the deaths of calves,compared to an adult member,attests to the significance of the unifying role played by calves within an elephant herd.

关键词： captive environment death elephant grief proximity

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Repeatability of decision-making behaviour in male threespine stickleback Gasterosteus aculeatus： Effects of dummy vs. live stimuli

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Current Zoology 2011年第1期57卷 101-108页

作者： Teresa L. DZIEWECZYNSKI lindsay M. FORRETTE Department of Psychology University of New England 11 Hills Beach Rd Biddeford ME 04005 USA

Individuals select from a number of behaviours when responding to various situations and the decisions they make may affect their fitness. The costs and benefits of these responses vary among individuals causing them to differ even in identical situations. One example of this type of situation is when territorial males encounter both a male and female simultaneously, gene- rating a trade-off that likely leads to individual differences due to differing costs of various actions among males. This situation commonly occurs in threespine stickleback, Gasterosteus aculeatus. However, for selection to act effectively, individuals must behave in a consistent manner and measuring repeatability can aid in understanding how selection may shape such trade-offs. Males of this species exhibit consistent individual differences in their response to dummy males and females but it is unknown ff patterns are similar when feedback from the stimuli is present. To assess this, male threespine stickleback were tested with dummy and live male and female conspecifics, presented separately and simultaneously. While the same trends were found re- gardless of stimulus type, males were more aggressive towards the live conspecifics than to the dummies. Repeatability values were similar within a treatment regardless of whether live or dummy conspecifics were used, suggesting that individuals show the same level of consistency. This study adds to our understanding of consistent individual differences by demonstrating that feed- back may not affect responses to conflicting stimuli and that male threespine stickleback respond in a consistent manner to both dummy and live stimuli

关键词： Decision-making Stimulus efficacy Behavioural consistency Repeatability Threespine stickleback

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