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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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j.urnal 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 j.an 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-disj.inted primary and secondary amines to facilitate putative compound ***,we integrated these modules into a freely available R program,*** rationale of each module was j.stified 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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PGRMC1 Elevation in Multiple Cancers and Essential Role in Stem Cell Survival

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Advances in Lung Cancer 2015年第3期4卷 37-51页

作者： Kaia K. Hampton Rachel Stewart Dana Napier Pier Paolo Claudio rolf j. craven Department of Pharmacology and Nutritional Sciences University of Kentucky Lexington KY USA Department of Pathology and Laboratory Medicine University of Kentucky Lexington KY USA Markey Cancer Center University of Kentucky Lexington KY USA Department of Biomolecular Sciences and National Center for Natural Products Research School of Pharmacy University of Mississippi Oxford MS USA Department of Radiation Oncology University of Mississippi Medical Center Jackson MS USA

Cancer is one of the leading causes of death in America, and there is an urgent need for new therapeutic approaches. The progesterone receptor membrane component 1 (PGRMC1) is a cytochrome b5 related protein that binds heme and is associated with signaling, apoptotic suppression and autophagy. PGRMC1 is essential for tumor formation, invasion and metastasis, and is upregulated in breast, colon, lung and thyroid tumors. In the present study, we have analyzed PGRMC1 levels in over 600 tumor sections, including a larger cohort of lung tumors than in previous studies, and report the first clinical analysis of PGRMC1 levels in human oral cavity and ovarian tumors compared to corresponding nonmalignant tissues. PGRMC1 was highly expressed in lung and ovarian cancers and correlated with patient survival. PGRMC1 has been previously associated with drug resistance, a characteristic of cancer stem cells. The stem cell theory proposes that a subset of cancerous stem cells contribute to drug resistance and tumor maintenance, and PGRMC1 was detected in lung-tumor derived stem cells. Drug treatment with a PGRMC1 inhibitor, AG-205, triggered stem cell death whereas treatment with erlotinib and the ERK inhibitor, PD98059, did not, suggesting a specific role for PGRMC1 in cancer stem cell viability. Together, our data demonstrate PGRMC1 as a potential tumor biomarker across a variety of tumors, as well as a therapeutic target for cancer stem cells.

关键词： Lung Cancer Oral Cancer Head and Neck Cancer Stem Cells PGRMC1

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Towards greener polymers:Trends in the German chemical industry

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Green Carbon 2024年第1期2卷 33-44页

作者： Adam W.Franz Stefan Buchholz rolf W.Albach rolf Schmid BASF SE Ludwigshafen 67056Germany Evonik Operations GmbH Hanau 63457Germany Association for Chemistry and Economics German Chemical SocietyFrankfurt am Main 60444Germany Stuttgart University and Bio4Business Stuttgart 70569Germany

Global plastics production is expected to exceed 400 million tons and reach 600 million tons by *** synthesis currently accounts for approximately 3%of global greenhouse gas *** 60%of all polymers are produced for *** include shopping bags,packaging materials,mulch films,and soluble polymers for cosmetics and other ***,only a portion of single-use plastic is recycled or disposed of in incinerators or *** estimated 20%is not disposed of properly and pollutes the global environment,especially the *** response to these challenges,the United Nations,European Union,and many nation-states are developing regulatory frameworks that encourage the chemical industry to produce plastics with a smaller environmental footprint and often support this through research *** solutions include:(1)the use of green energy,green hydrogen,bio-based feedstocks,or CO_(2) in synthesis;(2)the reuse or recycling of plastics through conversion or pyrolysis;and(3)the production of biodegradable *** German chemical industry contributes approximately one-third of polymer production in the *** is embedded in the EU regulatory and research landscape and anchored in the European Green Deal,which aims for carbon neutrality by *** this paper,we describe how BASF and Evonik,two leading German chemical companies with strong but different polymer portfolios,respond to the call for greener polymers and how technologies are being developed to make polyurethanes,a particularly important and difficult-to-recycle family of elastomers and duromers,renewable and *** the environmental footprint of plastics requires not only innovative materials but also proper governance,regulatory and collection systems,and public willingness to *** an international comparison of these competencies,expressed by the"polymer management index"(PMI),Germany achieved a top position.

关键词： Plastics recycling Biobased plastics Biodegradable plastics Polymer management index European Green Deal

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Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 713C and SARS-CoV-2 main protease

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Acta Pharmaceutica Sinica B 2022年第10期12卷 3924-3933页

作者： Bo Qin Gregory B.craven Pengj.ao Hou j.lian Chesti Xinran Lu Emma S.Child Rhodri M.L.Morgan Wenchao Niu Lina Zhao Alan Armstrong David j.Mann Sheng Cui NHC Key Laboratory of Systems Biology of Pathogens Institute of Pathogen BiologyChinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing 100076China Department of Life Sciences Imperial College LondonSouth Kensington CampusLondon SW72AZUK Department of Chemistry Imperial College LondonMolecular Sciences Research HubWhite City CampusWood LaneLondon W120BZUK CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety Institute of High Energy PhysicsUniversity of Chinese Academy of SciencesBeijing 100049China

RNA viruses are critically dependent upon virally encoded proteases to cleave the viral polyproteins into functional *** of these proteases exhibit a similar fold and contain an essential catalytic cysteine,offering the opportunity to inhibit these enzymes with electrophilic small *** we describe the successful application of quantitative irreversible tethering(qIT)to identify acrylamide fragments that target the active site cysteine of the 3C protease(3Cpro)of Enterovirus 71,the causative agent of hand,foot and mouth disease in humans,altering the substrate binding ***,we re-purpose these hits towards the main protease(Mpro)of SARS-CoV-2 which shares the 3C-like fold and a similar active *** hit fragments covalently link to the catalytic cysteine of Mpro to inhibit its *** demonstrate that targeting the active site cysteine of Mpro can have profound allosteric effects,distorting secondary structures to disrupt the active dimeric unit.

关键词： SARS-CoV-2 Protease inhibitors Covalent fragments Allosteric inhibition EV71

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Effects of Gamma Irradiation for Sterilization on Aqueous Dispersions of Length Sorted Carbon Nanotubes

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Nano Research 2011年第4期4卷 393-404页

作者： j.ffrey A. Fagan Nancy j. Lin rolf Zeisler Angela R. Hight Walker Polymers Division National Institute of Standards and Technology Gaithersburg MD 20899 USA Analytical Chemistry Division National Institute of Standards and Technology Gaithersburg MD 20899 USA Optical Technology Division. National Institute of Standards and Technology Gaithersburg MD 20899. USA

当前作为为 nanotherapeutics 和另外的医药应用的交货容器对碳 nanotubes 的潜在的使用有大兴趣。然而，没有数据在 nanotube 分散的性质上的消毒方法的效果上是可得到的，很医药的应用程序将在被处理的形式。这里，我们在水的分散在... 详细信息

当前作为为 nanotherapeutics 和另外的医药应用的交货容器对碳 nanotubes 的潜在的使用有大兴趣。然而，没有数据在 nanotube 分散的性质上的消毒方法的效果上是可得到的，很医药的应用程序将在被处理的形式。这里，我们在水的分散在分散和单个墙的碳 nanotubes 的光性质上从 60Co 来源显示出 gamma 照耀的效果。不同精制长度的人口的样品在 ampoules 被封上并且暴露了到约 28 kGy 的剂量，对足够的水平保证分散的绝育。与稳固阶段的 nanotube 样品的文学结果相对照，分散和 nanotube 样品的光性质上的 gamma 照耀的效果被发现最小。把结果基于这些， gamma 照耀显得足够地非破坏性为 nanotube 分散的消毒工业上有用。

关键词：单壁碳纳米管水分散体灭菌方法长度 γ辐照 γ射线辐照排序医疗应用

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

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j.urnal of Environmental Sciences 2021年第1期33卷 151-159页

作者： Nicholas j.P.Wawryk Caley B.craven Lindsay K.j.aiff 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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Fundamentals of nursing :human health and function 6rd ed

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2009年

作者： Ruth F. craven Constance j. Hirnle.

来源：畅想之星图书光盘版（南... 评论

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The impact of prehospital blood sampling on the emergency department process of patients with chest pain:a pragmatic non-randomized controlled trial

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World j.urnal of Emergency Medicine 2023年第4期14卷 257-264页

作者： j.han L.van Nieuwkerk M.Christien van der Linden rolf j.Verheul Merel van Loon-van Gaalen Marij. j.nmaat Naomi van der Linden Emergency Department Haaglanden Medical Centre&Emergency Medical Services Haaglandenthe Hague 2501 CBthe Netherlands Research and Development Haaglanden Medical Centrethe Hague 2501 CKthe Netherlands Laboratory Services Haaglanden Medical Centrethe Hague 2501 CKthe Netherlands Emergency Department Haaglanden Medical Centrethe Hague 2501 CKthe Netherlands Faculty of Health University of Applied Sciences LeidenLeiden 2300 AJthe Netherlands Faculty of Technology Policy and ManagementDelft University of TechnologyDelft 2628 BXthe Netherlands

BACKGROUND:In patients with chest pain who arrive at the emergency department(ED)by ambulance,venous access is frequently established prehospital,and could be utilized to sample *** blood sampling may save time in the diagnostic *** this study,the association of prehospital blood draw with blood sample arrival times,troponin turnaround times,and ED length of stay(LOS),number of blood sample mix-ups and blood sample quality were ***:The study was conducted from October 1,2019 to February 29,*** patients who were transported to the ED with acute chest pain with low suspicion for acute coronary syndrome(ACS),outcomes were compared between cases,in whom prehospital blood draw was performed,and controls,in whom blood was drawn at the *** analyses were used to assess the association of prehospital blood draw with the time ***:Prehospital blood draw was performed in 100 *** 406 patients,blood draw was performed at the *** blood draw was independently associated with shorter blood sample arrival times,shorter troponin turnaround times and decreased LOS(P0.05).CONCLUSION:For patients with acute chest pain with low suspicion for ACS,prehospital blood sampling is associated with shorter time intervals,while there were no significant differences between the two groups in the validity of the blood samples.

关键词： Blood specimen collection Crowding Emergency medical services Troponin

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Life cycle and morphology of development stages of Physocephalus dromedarii (Nematoda: Spirocercidae)

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Asian Pacific j.urnal of Tropical Biomedicine 2016年第10期6卷 825-829页

作者： rolf Karl Schuster Saritha Sivakumar j.rg Kinne Central Veterinary Research Laboratory

Obj.ctive: To study the development of Physocephalus dromedarii(P. dromedarii) in the final ***: For this, 5 adult dromedaries were orally infected with third larval stages of P. dromedarii obtained from naturally infected scarab beetles(Scarabaeus cristatus). The camels were necropsied 14, 42, 70, 84 and 280 days after infection and their abomasi were examined for the presence of ***: Early 4th stage larva occurred already 2 weeks after infection. They were still in the sheet of the 3rd stage larva. Six weeks after infection, the nematodes became j.venile male and female adults measuring 9 and 10 mm, respectively. Their size doubled at 10 weeks post infection and patency was reached at 12 weeks. P. dromedarii was still present in the camel that was examined 40 weeks after ***: As a result of experimental infection of the natural host, the determined prepatent period of P. dromedarii equalled 12 weeks.

关键词： Physocephalus dromedarii Nematoda Life cycle Dromedary Abomasum

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Ischemic preconditioning-induced hyperperfusion correlates with hepatoprotection after liver resection

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World j.urnal of Gastroenterology 2010年第15期16卷 1871-1878页

作者： Oleg Heizmann Georgios Meimarakis Andreas Volk Daniel Matz Daniel Oertli rolf j.Schauer Department of Surgery University Hospital Basel Department of Surgery Klinikum of the Ludwig-Maximilians-University-Grosshadern University of Munich Department of Surgery University Hospital of Dresden Department of Surgery Academic Hospital of the Ludwig-Maximilians-University of Munich

AIM:To characterize the impact of the Pringle ma-neuver (PM) and ischemic preconditioning (IP) on total blood supply to the liver following hepatectomies. METHODS: Sixty one consecutive patients who un-derwent hepatic resection under in flow occlusion were randomized either to receive PM alone (n = 31) or IP (10 min of ischemia followed by 10 min of reperfusion) prior to PM (n = 30). Quantification of liver perfusion was measured by Doppler probes at the hepatic artery and portal vein at various time points after reperfusion of remnant livers. RESULTS: Occlusion times of 33 ± 12 min (mean ± SD) and 34 ± 14 min and the extent of resected liver tissue (2.7 segments) were similar in both groups. In controls (PM), on reperfusion of liver remnants for 15 min, portal perfusion markedly decreased by 29% while there was a slight increase of 8% in the arterial blood flow. In contrast, following IP + PM the portal vein flow remained unchanged during reperfusion and a significantly increased arterial blood flow (+56% vs baseline) was observed. In accordance with a better postischemic blood supply of the liver, hepatocellular inj.ry, as measured by alanine aminotransferase (ALT) levels on day 1 was considerably lower in group B compared to group A (247 ± 210 U/I vs 550 ± 650 U/I, P < 0.05). Additionally, ALT levels were significantly correlated to the hepatic artery in ***: IP prevents postischemic flow reduction of the portal vein and simultaneously increases arterial perfusion, suggesting that improved hepatic macrocirculation is a protective mechanism following hepatectomy.

关键词： Ischemic preconditioning Reperfusion inj.ry Liver Surgery Liver blood flow

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