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Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy

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Journal of Energy Chemistry 2022年第1期31卷 520-530,I0014页

作者： Rosa Arrigo Takeo Sasaki June Callison Diego Gianolio manfred Erwin schuster School of Science Engineering and EnvironmentUniversity of SalfordManchester M54WTUK Diamond Light Source Harwell Science and Innovation CampusDidcot 0X1/ODEUK JEOL UK Ltd.JEOL House 1-2 Silver CourtWatchmeadWelwyn Garden CityHerts AL71LTUK Department of Chemistry University College London20 Gordon StreetLondon WC1H OAJUK UK Catalysis Hub Research Complex at Harwell(RCaH)Rutherford Appleton LaboratoryHarwell Oxon 0X11 OFAUK Johnson Matthey Technology Centre Reading RG49NH.UK

In this study,we aim to contribute an understanding of the pathway of formation of Fe species during top-down synthesis of dispersed Fe on N-functionalized few layer graphene,widely used in *** use X-ray absorption spectroscopy to determine the electronic structure and coordination geometry of the Fe species and in situ high angle annular dark field scanning transmission electron microscopy combined with atomic resolved electron energy loss spectroscopy to localize these,identify their chemical configuration and monitor their dynamics during thermal *** show the high mobility of peripheral Fe atoms,first diffusing rapidly at the trims of the graphene layers and at temperatures as high as 573 K,diffusing from the edge planes towards in-plane locations of the graphene layers forming three-,four-coordinated metal sites and more complexes polynuclear Fe *** process occurs via bond C-C breaking which partially reduces the extension of the graphene ***,the vast majority of Fe is segregated as a metal *** dynamic interconversion depends on the structural details of the surrounding graphitic environment in which these are formed as well as the Fe loading.N species appear stabilizing isolated and polynuclear Fe species even at temperatures as high as 873 *** significance of our results lies on the fact that single Fe atoms in graphene are highly mobile and therefore a structural description of the electroactive sites as such is insufficient and more complex species might be more relevant,especially in the case of multielectron transfer *** we provide the experimental evidence of the formation of these polynuclear Fe-N sites and their structural characteristics.

关键词： HAADF-STEM Single Fe atom sites N-doped Few-layer graphene Dinuclear Fe species

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nNPipe: a neural network pipeline for automated analysis of morphologically diverse catalyst systems

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npj Computational Materials 2023年第1期9卷 2176-2187页

作者： Kevin P.Treder Chen Huang Cameron G.Bell Thomas J.A.Slater manfred E.schuster DoğanÖzkaya Judy S.Kim Angus I.Kirkland Department of Materials University of OxfordParks RoadOX13PH OxfordOxfordshireUnited Kingdom Rosalind Franklin Institute Harwell Research CampusOX110FA DidcotOxfordshireUnited Kingdom School of Chemistry The University of EdinburghEH93FJ EdinburghUnited Kingdom School of Chemistry Cardiff UniversityPark PlaceCF103AT CardiffUnited Kingdom Electron Physical Sciences Imaging Centre Diamond Light SourceOxfordshire OX110DEUnited Kingdom Johnson Matthey Technology Centre Blount’s CourtSonning CommonReading RG49NHUnited Kingdom

We describe nNPipe for the automated analysis of morphologically diverse catalyst materials. Automated imaging routines anddirect-electron detectors have enabled the collection of large data stacks over a wide range of sample positions at high temporalresolution. Simultaneously, traditional image analysis approaches are slow and hence unsuitable for large data stacks andconsequently, researchers have progressively turned towards machine learning and deep learning approaches. Previous studiesoften detail work on morphologically uniform material systems with clearly discernible features, limited workable image sizes andtraining data that may be biased due to manual labelling. The nNPipe data-processing method consists of two standaloneconvolutional neural networks that were exclusively trained on multislice image simulations and enables fast analysis of2048 × 2048 pixel images. Inference performance compared between idealised and real industrial catalytic samples and insightsderived from subsequent data analysis are placed into the context of an automated imaging scenario.

关键词： catalyst hence subsequent

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Exposure to sublethal concentration of flupyradifurone alters sexual behavior and cuticular hydrocarbon profile in Heriades truncorum,an oligolectic solitary bee

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Insect Science 2024年第3期31卷 859-869页

作者： Samuel Boff manfred Ayasse Institute of Evolutionary Ecology and Conservation Genomics Ulm UniversityUlmGermany

The aboveground oligolectic bee,Heriades truncorum,is a particularly good model for studying the impact of pesticides on sexual communication,since some aspects of its mating behavior have previously been *** have tested(1)the interference of the pesticide flupyradifurone on male precopulatory behavior and male mating partner preferences,(2)the way that the pesticide interferes in male quality assessment by the female,and(3)the effects of the pesticide on the chemical compounds in the female *** exposed bees of both sexes to a sublethal concentration of *** behaviors were registered in a mating arena with two females(one unexposed and one exposed)and one male(either unexposed or exposed).Unexposed males were quicker to attempt to *** also impacted precopulatory behavior and male quality assessment by *** approached unexposed females more quickly than insecticideexposed *** exposed to insecticide produced lower amounts of some cuticular hydrocarbons(sex pheromone candidates)and appeared less choosy than unexposed *** findings suggest that insecticide exposure affects sexual communication,playing a role both in male preference and in male quality assessment by the female.

关键词： courtship display female choice flupyradifurone male partner preference sex communication sublethal effects

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Corrigendum to“Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy”[JECHEM 64(2022)520-530]

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Journal of Energy Chemistry 2022年第8期31卷 657-657页

作者： Rosa Arrigo Takeo Sasaki June Callison Diego Gianolio manfred Erwin schuster School of Sciences Engineering and EnvironmentUniversity of SalfordManchester M54WTUK Diamond Light Source Harwell Science and Innovation CampusDidcot OX110DEUK JEOL UK Ltd.JEOL House 1-2 Silver CourtWatchmeadWelwyn Garden CityHerts AL71LTUK Department of Chemistry University College London20 Gordon StreetLondon WC1H 0AJUK UK Catalysis Hub Research Complex at Harwell(RCaH)Rutherford Appleton LaboratoryHarwell Oxon OX110FAUK Johnson Matthey Technology Centre Reading RG49NHUK

The authors regret that the word“trim/trims”has been wrongly used in the overall text,and instead the correct word“edge/edges”should have been *** authors would like to apologise for any inconvenience caused.

关键词： word instead dynamics

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Safety and Therapeutic Efficacy of the Lewis Y Carbohydrate Specific Humanized Antibody MB311 in Patients with Malignant Effusion

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Journal of Cancer Therapy 2014年第1期5卷 28-37页

作者： Thomas Bauernhofer Helmut Samonigg Peter Regitnik Werner Weitzer Brigitte Lileg Günter Waxenecker Susanne Wiederkum Manuela Kainer manfred schuster Hans Loibner Markus Fido Ralf Kircheis Andreas Nechansky Igeneon Vienna Austria Medical University Graz Graz Austria

Purpose: Investigation of safety and tolerability as well as therapeutic efficacy of the LeY specific humanized mAb MB311 in cancer pts with malignant effusions in a Phase II clinical trial. Experimental Design: An openlabel, single treatment arm, uncontrolled study with MB311 (100 mg per dose, intravenous infusion on day 1 and 7) in pts with malignant effusion (ascites or pleural effusion) was conducted with the primary objective to examine safety and tolerability as well as pharmacokinetics. Secondary objectives were assessment of pharmacodynamics, volumetric measurement of the malignant effusion and obtaining data for several immunological parameters. Results: Five pts (2 pts with gastric cancer and malignant ascites, 3 pts with breast cancer and malignant pleural effusion/ascites) have completed the study. MB311 was well tolerated with only two pts showing the easily manageable side effects nausea, vomiting (up to grade 2) and one episode of skin rash (grade 2) after the first application. Data of 4 pts were available for evaluating immunologic results and efficacy. In all pts significant levels of MB311 could be detected in the systemic blood circulation and the effusion leading to increased infiltration of CD45 positive immune cells (4/5 pts) and resulting in a reduction of tumor cell counts as detected by immunocytochemistry of effusion samples in 3/5 pts). Most interestingly, the pt with the highest LeY positive tumor showed a significant reduction of effusion volume after treatment—this decrease was also evident for Her2/neu positive tumor cells which were dramatically reduced after MB311 treatment in this breast cancer pt. Conclusion: MB311 was well tolerated in patients with malignant effusions, permeated into malignant effusion and attracted immune cells leading to decreased tumor cell counts in the effusion. In the case of strong LeY expression of malignant cells in the effusion a pronounced decrease in LeY, EpCAM and Her2/neu positive tumor cells and a

关键词： Passive Immunotherapy Therapeutic Antibody Circulating Tumor Cells Malignant Effusion Lewis Y Carbohydrate Ascites

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Phase I Dose Escalation Study with the Lewis Y Carbohydrate Specific Humanized Antibody IGN311

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Journal of Cancer Therapy 2011年第5期2卷 760-771页

作者： Daniel Oruzio Gunter Waxenecker Christoph Aulmann Bruno Markl Theodor Wagner Geert Mudde manfred schuster Norbert Eller Andrea Mayer Stefan Stranner Gottfried Himmler Hans Loibner Günter Schlimok Ralf Kircheis Andreas Nechansky Zentralklinikum AugsburgGermany Igeneon ViennaAustria AGES Pharmed ViennaAustria S-TARget ViennaAustria Apeiron ViennaAustria CDMS ViennaAustria Immatics TubingenGermany f-Star ViennaAustria ViroLogik ErlangenGermany Meridian Biopharmaceuticals ViennaAustria.

Purpose: Investigation of safety, tolerability, pharmacokinetics, and anti-tumor activity of the Lewis Y-specific, fully humanized monoclonal antibody (mAb) IGN311 in patients with Lewis Y positive tumors in a Phase I clinical trial. Experimental Design: Twelve patients (pts) were enrolled in an open-label, uncontrolled, dose escalating Phase I study. Three pts received 50 mg, three pts 100 mg and six pts 200 mg IGN311 by i.v. infusion on days 1 and 15. Blood samples were taken immediately before infusion, and 0.5, 4, 8, 24 hours post infusion, as well as on days 3, 5 and 8 after the first and second infusion, respectively, and day 29. A final visit was scheduled for day 43. Results: No drug related adverse events were observed in the 50 mg and 100 mg dose groups. Three out of six patients in the 200 mg dose group showed drug related adverse reactions with nausea, vomiting and hypotension in one patient (NCI CTC grade 3) being the dose limiting toxicities. t1/2 of IGN311 was ~20 days after second infusion of IGN311. Sera of patients receiving IGN311 were capable of lysing Lewis Y positive tumor cells in vitro by both, complement-dependent cytotoxicity (CDC) and antibody-dependent cellular cytotoxicity (ADCC). Circulating tumor cells found in the peripheral blood in two out of twelve pts prior to treatment were reduced after treatment to below the quantification limit of the detection method. None of the patients showed an increase in the number of disseminated tumor cells during treatment period. Conclusions: The good safety and PK profile, the biological activity regarding CDC and ADCC mediated tumor cell lysis, and the elimination of circulating tumor cells warrant further clinical investigation of IGN311.

关键词： Passive Immunotherapy Therapeutic Monoclonal Antibody Disseminated Tumor Cells Phase I Study Lewis Y Carbohydrate HAHA (Human Anti-Human Antibodies)

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Development of a Side Door Composite Impact Beam for the Automotive Industry

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Open Journal of Composite Materials 2024年第1期14卷 1-14页

作者： Vinay Papaiya Jens schuster Yousuf Pasha Shaik Department of Applied Logistics and Polymer Sciences University of Applied Sciences Kaiserslautern Institute for Plastics and Engineering West Pfalz (IKW) Pirmasens Germany

The automobile industry has been searching for vehicles that use less energy and emit fewer pollutants, which has resulted in a high demand for fuel-efficient vehicles. Because of their higher strength-to-weight ratio compared to traditional steel, using fiber-reinforcement composite materials in automobile bodies has emerged as the most effective strategy for improving fuel efficiency while maintaining safety standards. This research paper examined the utilization of fiber-reinforced composite materials in car bodies to meet the increasing consumer demand for fuel-efficient and eco-friendly vehicles. It particularly focused on a carbon-aramid fiber-reinforced composite impact beam for passenger car side door impact protection. Despite the encouraging prospects of the carbon-aramid fiber-reinforced beam, the research uncovered substantial defects in the fabrication process, resulting in diminished load-bearing capacity and energy absorption. As a result, the beam was un-successful in three-point bending tests. This was accomplished by using an I cross-section design with varying thickness because of the higher area moment of inertia. Vacuum-assisted resin transfer molding (VARTM) manufacturing process was used and the finished beam underwent to three-point bending tests.

关键词： Side-Door Impact Beam Impact Energy Absorption Carbon-Aramid Reinforcement VARTM

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Fabrication and Characterization of Bamboo—Epoxy Reinforced Composite for Thermal Insulation

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Open Journal of Composite Materials 2024年第1期14卷 15-32页

作者： Nandavardhan Reddy Kopparthi Jens schuster Yousuf Pasha Shaik Institute of Polymer Technology West Palatine University of Applied Sciences Kaiserslautern Pirmasens Germany

As global warming intensifies, researchers worldwide strive to develop effective ways to reduce heat transfer. Among the natural fiber composites studied extensively in recent decades, bamboo has emerged as a prime candidate for reinforcement. This woody plant offers inherent strengths, biodegradability, and abundant availability. Due to its high cellulose content, its low thermal conductivity establishes bamboo as a thermally resistant material. Its low thermal conductivity, enhanced by a NaOH solution treatment, makes it an excellent thermally resistant material. Researchers incorporated Hollow Glass Microspheres (HGM) and Kaolin fillers into the epoxy matrix to improve the insulating properties of bamboo composites. These fillers substantially enhance thermal resistance, limiting heat transfer. Various compositions, like (30% HGM + 25% Bamboo + 65% Epoxy) and (30% Kaolin + 25% Bamboo + 45% Epoxy), were compared to identify the most efficient thermal insulator. Using Vacuum Assisted Resin Transfer Molding (VARTM) ensures uniform distribution of fillers and resin, creating a structurally sound thermal barrier. These reinforced composites, evaluated using the TOPSIS method, demonstrated their potential as high-performance materials combating heat transfer, offering a promising solution in the battle against climate change.

关键词： Thermal Insulator Rooftiles Hollow Glass Microspheres Bamboo Kaolin Epoxy VARTM Process Thermal Conductivity Mechanical Properties

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Enhancing Stress Intensity Factor Reduction in Cracks Originating from a Circular Hole in a Rectangular Plate under Uniaxial Stress through Piezoelectric Actuation

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Materials Sciences and Applications 2024年第1期15卷 1-14页

作者： Gopi Krishna Konda Jens schuster Yousuf Pasha Shaik Department of Applied Logistics and Polymer Sciences University of Applied Sciences Kaiserslautern Institute for Plastics Engineering West Pfalz (IKW) Pirmasens Germany

Circular holes are commonly employed in engineering designs;however, they often serve as locations where cracks initiate and propagate. This paper explores a novel approach to structural repair by utilizing piezoelectric actuators. The primary focus of this study is to investigate the influence of an adhesively bonded piezoelectric actuator patch placed above a circular hole on the stress intensity factor (SIF) in an aluminium plate. The plate is subjected to uniaxial tensile stress, while the piezoelectric actuator is excited with varying voltage levels. The analysis is conducted using the finite element method (FEM), a powerful numerical technique for simulating complex structures. The study assesses the stress distribution and employs the SIF as an adequate criterion for evaluating the impact of different patch configurations. The results indicate a strong correlation between the applied voltage and the SIF. Whether the SIF increases or decreases depends on the polarization of the piezoelectric actuator. Particularly noteworthy is the finding that rectangular patches in a horizontal orientation significantly reduce the SIF compared to other patch geometries. Moreover, double-sided patches exhibit a pronounced decrease in the SIF compared to single-sided patches. In summary, this research underscores the potential of piezoelectric actuators in mitigating stress intensity in structures with circular hole with crack initiation. It offers valuable insights into the influence of applied voltage, patch geometry, and patch placement on the SIF, thereby contributing to developing effective strategies for enhancing structural integrity.

关键词： Piezoelectric Actuators Stress Intensity Factor (SIF) Aluminium Plate Voltage Finite Element Method (FEM)

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How aromatic dissolved organic matter differs in competitiveness against organic micropollutant adsorption

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Environmental Science and Ecotechnology 2024年第5期21卷 92-102页

作者： Qi Wang Oliver JLechtenfeld Luuk CRietveld Jonas schuster Mathias Ernst Roberta Hofman-Caris Jan Kaesler Chunmiao Wang Min Yang Jianwei Yu Frederik Zietzschmann Key Laboratory of Drinking Water Science and Technology Research Center for Eco-Environmental SciencesChinese Academy of Sciences100085BeijingChina Delft University of Technology Department of Water ManagementPO Box 50482600GADelftthe Netherlands Department of Analytical Chemistry Research Group BioGeoOmicsHelmholtz Centre for Environmental ResearchUFZPermoserstr.1504318LeipzigGermany Berliner Wasserbetriebe LaboratoryMotardstr.3513629BerlinGermany Institute for Water Resources and Water Supply Hamburg University of TechnologyAm Schwarzenberg-Campus 321073HamburgGermany KWR Watercycle Research Institute 3433PENieuwegeinthe Netherlands ProVISCentre for Chemical Microscopy Helmholtz Centre for Environmental ResearchUFZPermoserstr.1504318LeipzigGermany Wageningen University and Research Department of Environmental TechnologyBornse Weilanden 96708 WGWageningenthe Netherlands University of Chinese Academy of Sciences 100049BeijingChina

Activated carbon is employed for the adsorption of organic micropollutants(OMPs)from water,typically present in concentrations ranging from ng L1 to mg L***,the efficacy of OMP removal is considerably deteriorated due to competitive adsorption from background dissolved organic matter(DOM),present at substantially higher concentrations in mg L*** the characteristics of competitive DOM is crucial in predicting OMP adsorption efficiencies across diverse natural *** weight(MW),aromaticity,and polarity influence DOM *** the aromaticity-related metrics,such as UV254,of low MW DOM were proposed to correlate with DOM competitiveness,the method suffers from limitations in understanding the interplay of polarity and aromaticity in determining DOM ***,we elucidate the intricate influence of aromaticity and polarity in low MW DOM competition,spanning from a fraction level to a compound level,by employing direct sample injection liquid chromatography coupled with ultrahigh-resolution Fouriertransform ion cyclotron resonance mass *** exchange resin pre-treatment eliminated 93%of UV254-active DOM,predominantly aromatic and polar DOM,and only minimally alleviated DOM *** characterization revealed that nonpolar molecular formulas(constituting 26%PAC-adsorbable DOM)with medium aromaticity contributed more to the DOM *** analysis indicated that the competitiveness of highly aromatic LMW DOM compounds was strongly counterbalanced by increased *** aromaticity-derived p-p interaction cannot facilitate the competitive adsorption of hydrophilic DOM *** results underscore the constraints of depending solely on aromaticity-based approaches as the exclusive interpretive measure for DOM *** a broader context,this study demonstrates an effect-oriented DOM analysis,elucidating counterbalancing interactions of DOM molecular properties

关键词： Activated carbon Organic micropollutants Dissolved organic matter(DOM) Multi-component adsorption Fourier-transform ion cyclotron resonance mass spectrometry(FT-ICR-MS)

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