bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deposition of Gold Nanoparticles on a Self‐Supporting Carbon Foil
Authors: Hepperle Philine , Baek Woon Yong , Nettelbeck Heidi , Rabus Hans 
Published: August 2022

AbstractElectron emission cross sections of gold nanoparticles (AuNPs) are important for assessing their radiosensitizing effects from ionizing radiation using Monte Carlo simulations. Measurements of these data require samples of sufficiently large area density, homogeneous nanoparticle distribution, and a mechanically stable sample holder to ensure a low background signal. While several methods exist for the deposition of nanoparticles, there is little information regarding the deposition of AuNPs in an aqueous solution onto a self‐supporting film. The aim of this is to find suitable preparation techniques for AuNP samples which fulfill the above requirements. AuNP samples are produced using different deposition techniques and a 50 nm‐thick carbon foil as the substrate. These samples are characterized with respect to the size and spatial distribution of AuNPs using a scanning electron microscope. The drop‐casting technique yields the best results, while those obtained with the spin‐coater technique are less reproducible regarding sample stability. The microdrop method is deemed unsuitable due to its tendency to form AuNP clusters. Measurements conducted with a synchrotron radiation source, as well as with protons and electrons, confirm the suitability of these samples for studying electron emission spectra of AuNPs for different radiation types.
FtsH degrades dihydrofolate reductase by recognizing a partially folded species
Authors: Morehouse Juhee P. , Baker Tania A. , Sauer Robert T. 
Published: August 2022

AbstractAAA+ proteolytic machines play essential roles in maintaining and rebalancing the cellular proteome in response to stress, developmental cues, and environmental changes. Of the five AAA+ proteases in Escherichia coli, FtsH is unique in its attachment to the inner membrane and its function in degrading both membrane and cytosolic proteins. E. coli dihydrofolate reductase (DHFR) is a stable and biophysically well‐characterized protein, which a previous study found resisted FtsH degradation despite the presence of an ssrA degron. By contrast, we find that FtsH degrades DHFR fused to a long peptide linker and ssrA tag. Surprisingly, we also find that FtsH degrades DHFR with shorter linkers and ssrA tag, and without any linker or tag. Thus, FtsH must be able to recognize a sequence element or elements within DHFR. We find that FtsH degradation of DHFR is noncanonical in the sense that it does not rely upon recognition of an unstructured polypeptide at or near the N‐terminus or C‐terminus of the substrate. Results using peptide‐array experiments, mutant DHFR proteins, and fusion proteins suggest that FtsH recognizes an internal sequence in a species of DHFR that is partially unfolded. Overall, our findings provide insight into substrate recognition by FtsH and indicate that its degradation capacity is broader than previously reported.
Qubit unitary coupled cluster with generalized single and paired double excitations ansatz for variational quantum eigensolver
Authors: Xie Qing‐Xing , Zhang Wen‐gang , Xu Xu‐Sheng , Liu Sheng , Zhao Yan 
Published: August 2022

AbstractVariational quantum eigensolver (VQE) with a unitary coupled cluster (UCC) ansatz has been suggested as a promising method for electronic structure calculations on future quantum computers. However, the complexity of the excitation terms for UCC with the single and double excitations (UCCSD) ansatz is up‐bounded to , where N is the number of electrons and M is the number of spin orbitals. The gate complexity of quantum circuit for the UCCSD ansatz is up‐bounded to using the Jordan–Wigner transformation. These complexities significantly limit the implementation of UCCSD on current Noisy Intermediate‐Scale Quantum (NISQ) devices. Herein, we developed a k‐QUpCCGSD ansatz which is based on the generalized paired double excitation operators and the particle preserving exchange gate. The former reduces the number of the excitation operators, the latter reduces the number of qubit gates for transforming excitation operators to quantum circuit. The gate complexity of the proposed k‐QUpCCGSD ansatz is up‐bounded to , which significantly reduce the complexity of the VQE algorithm on NISQ devices. The performance of the proposed ansatz on VQE is demonstrated by calculating ground‐state dissociation energy curves of the H6, LiH, H2O, and BeH2 molecules with the STO‐3G minimal basis set, and the accuracy is evaluated by comparing to the full configuration interaction (FCI) benchmarks. Moreover, we compare the number of quantum gates, especially the CNOT gates, and accuracies of various ansatzes. The assessments have shown that the accuracy of qubit unitary coupled cluster (QUCC) ansatzes is slightly worse than that of the UCC ones, but the circuit complexity of QUCC is much less than that of UCC. Among the tested QUCC ansatzes, k‐QUpCCGSD achieves higher accuracy with fewer quantum gates than QUCCSD, and k‐QUpCCGSD is a promising ansatz for VQE calculation on NISQ devices.
Versatile Applications Of Biopolymer Nanocomposites: A review
Authors: Althomali Raed H. , Alamry Khalid A. , Hussein Mahmoud A. , Tay Guan S. 
Published: August 2022

AbstractBiopolymers having biodegradable and biocompatible characteristics have been gained a great interest of scientists for using various applications in the field of advanced sciences exclusively with nanotechnology of separation and purification field. Different exciting applications have been found in the versatile field including energy production, wastewater treatment, sensor development, food packaging and broadly in the biomedical sciences. Biopolymer can be applied to increase the capabilities of other bio‐active molecules in a material. Now dyes, scientists are concentrated for preparing more environment friendly nanomaterials and increasing attention for immobilizing of contaminates and adoption by using green chemistry approaches. This review has been summarized the vital applications of biopolymer and highlighted with their owned advantages and limitations of numerous field by reported studies. The possible mechanistic insights of diverse applications of biopolymers were discussed. This review has been finds the efficiencies of biopolymers in the major field of sciences and were considered as the outstanding materials due to their exciting physic‐chemical properties and other characteristics include eco‐friendly nature, low cost, nontoxic, high adsorption capacity and reusability. This review could be considered as a precious pathway for exploring more low‐cost, environmental friendly hybrid materials for versatile applications including water decontamination, sensing of targeted elements and other biomedical purposes, eventually the review will contribute to environmental remediation and purification applications of biomaterials.
A Green Approach for 1,2,3‐Triazole‐Fused Quinolinones via Metal‐Free Cascade [3+2] Cycloaddition/C‐N Coupling Reaction
Authors: Majeed Kashif , Zhou Fengtao , Liu Chaoyi , Guo Zijian , Dong Penghui , Zhang Qiuyu 
Published: August 2022

AbstractA metal‐free cascade reaction of 1‐(8‐halonaphthalen‐1‐yl)prop‐2‐yn‐1‐ones with sodium azide has been developed for the construction of quinolinone fused triazole frameworks. The reaction proceeded smoothly via an intramolecular metal‐free version of the azide‐alkyne [3 + 2] cycloaddition. A variety of quinolinone fused triazole derivatives were prepared in good to excellent yields under metal‐free conditions. The practicality of this metal‐free protocol was further evaluated by gram scale synthesis of quinolinone fused triazole derivatives.
Amination of Ethylene Glycol to Ethylenediamine Catalyzed by Co‐Cu/γ‐Al2O3
Authors: An Hualiang , Li Jianpeng , Zheng Guangzong , Wang Guirong , Zhao Xinqiang , Wang Yanji 
Published: August 2022

AbstractEthylenediamine is an important organic chemical and commercially produced from non‐renewable starting material. In the present work, amination of ethylene glycol to ethylenediamine was studied using an aqueous ammonia as ammonia source. A series of supported bimetallic catalysts were prepared by impregnation method and characterized by means of H2‐TPR, H2‐TPD, XRD, XPS and N2 adsorption‐desorption. Their catalytic performance for amination of ethylene glycol was investigated and Co−Cu/γ‐Al2O3 catalyst exhibited high activity and good selectivity to ethylenediamine. There exists obvious interaction and synergistic effect between Cu and Co in Co−Cu/γ‐Al2O3 for lowering catalyst reduction temperature and improving catalytic performance separately. The selectivity of ethylenediamine and ethanolamine respectively attained 45.7 % and 23.7 % at an ethylene glycol conversion of 41.5 % under the suitable reaction conditions. On this basis, a majority of by‐products in the amination of ethylene glycol were identified by gas chromatography‐mass spectrometry analysis and a reaction network was proposed.
Synthesis, Characterization and Antimicrobial Activity of Poloxamer‐Assisted Copper Nanoparticles: Investigating the Effects of Different Concentrations of Poloxamer 407
Authors: Patel Saurav S , Patel Hemil S , Kunjadiya Anju , Rao Vandana , Sharma Rakesh K 
Published: August 2022

AbstractThe development of copper nanoparticles (CuNPs) with antimicrobial activities shows high potential for various clinical applications. We herein synthesized Poloxamer(P407)‐assisted CuNPs with improved oxidative stability using a simple process that included environment friendly Vitamin C (ascorbic acid) as a reducing agent and nontoxic P407 polymer as a stabilizing agent. To optimize the reducing agent, the effect of the molar ratio of ascorbic acid‐to‐Cu2+ salt was investigated through fluorescence measurements. The UV‐Visible spectrum presented that the inclusion of P407 improved the efficiency of CuNPs synthesis. In addition, DLS demonstrated that when the concentration of P407 was increased, the particle size of CuNPs was reduced. According to the XRD patterns, all the CuNPs are fcc‐structured and crystalline. The FE‐SEM and EDX images indicated the cubic morphology and the absence of any oxides of copper. The synthesized CuNPs have different particle sizes, showing strong antimicrobial activities against Gram‐negative and Gram‐positive bacteria as well as funguses. Our findings suggest that P407‐assisted CuNPs could be a new way to fight both human and plant pathogens.
Design of an Electrochemical Sensor for the Determination of Riboflavin using Cobalt Doped Dysprosium Oxide Nanocubes Modified Glassy Carbon Electrode
Authors: Sangavi Ravi , Keerthana Madhusuthanan , Pushpa Malini Thanikachallam 
Published: August 2022

AbstractThis study explains the synthesis of cobalt‐doped dysprosium oxide nanocubes (Co‐Dy2O3 NCs) and the modification of GCE (glassy carbon electrode), for the selective and sensitive detection of riboflavin (RF). The Co‐Dy2O3 NCs were synthesized by co‐precipitation method and characterized using spectroscopic and microscopic techniques like micro‐Raman Spectroscopy, X‐ray diffraction (XRD), X‐ray Photoelectron Spectroscopy (XPS), Fourier Transform Infrared Spectroscopy (FT‐IR), High‐Resolution Transmission Electron Microscopy (HRTEM), Energy‐Dispersive X‐ray Spectroscopy (EDX), and High Resolution Scanning Electron Microscopy (HRSEM). The synthesized Co‐Dy2O3 NCs were coated on the glassy carbon electrode to detect and quantify the concentration of riboflavin in aqueous and real samples. The samples were analyzed by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) techniques with three‐electrode system. The modified electrode displays two linear concentration ranges (0.5–50, 50–300 μM) with a low detection limit (LOD) of 0.094 μM and high sensitivity of 3.67 μA μM−1 cm−2. Besides, the fabricated sensor has more selectivity, great reproducibility, repeatability and good stability. Finally, the Co‐Dy2O3 NCs modified GCE based sensor was effectively applied in real sample analysis using milk and egg yolk with good recovery.
Synthesis and Application of 3‐Pyridinecarbaldehyde Immobilized on MCM‐41 for Trace Analysis and Preconcentration of Copper Ions in Different Water Samples
Authors: Jozdani Zahra Fathi , Hajiaghababaei Leila , Zarei Gholdasteh 
Published: August 2022

AbstractSynthesis, characterization, and application of 3‐pyridinecarbaldehyde immobilized on MCM‐41 (Py−N‐MCM‐41) was studied. Trace analysis and pre‐concentration of copper ions in water samples was done by Py−N‐MCM‐41as an adsorbent prior to flame atomic absorption spectrometry. X‐ray diffraction of calcined MCM‐41 exhibited that is characteristic of the mesopores silica with hexagonal symmetric structure. Fourier transform infrared spectrum of the Py−N‐MCM‐41demonstrated the existence of functional groups and N2adsorption‐desorption showed Brunauer‐Emmett‐Teller surface area of 770 m2 g−1and pore diameter of 2.42 nm. After 30 min stirring, Cu2+was extracted at pH 5–7. The highest adsorption capacity of the Py−N‐MCM‐41 was 135 μg mg−1. Based on the lowest quantity of acid to strip the ions from adsorbent, the technique's pre‐concentration factor was 30. The relative standard deviation (C=40 ng mL−1, n=5) was 2.9 % and detection limit was 1.6 ng mL−1. An acceptable consistency was observed between the measured amounts of Cu2+by the thermal and proposed pre‐concentration approaches in different water samples, suggesting high accuracy of the technique.
Selective CO2 Adsorption at Low Pressure in Nitrogen‐Rich Copper(II) Coordination Polymers
Authors: Martins Daniel Oliveira Tavares Alves , Freitas Rafael Sá , Da Costa Ferreira Ana Maria 
Published: August 2022

AbstractHerein, a series of polymeric copper(II) complexes were obtained using four different triazoles: 3‐amino‐1,2,4‐triazole (HL1), 3,5‐diamino‐1,2,4‐triazole (HL2), 3‐amino‐1,2,4‐triazole‐5‐carboxylic acid (H2L3) and 1,2,4‐triazole‐3‐carboxylic acid (H2L4); through solvothermal conditions, under controlled pressure and high temperature, following usual procedures described in the literature. These triazoles were chosen to exploit their different coordination modes to copper(II) metal centres to obtain interesting structures and varied gas adsorption selectivity. The isolated materials were characterized by common spectroscopic techniques (IR, diffuse reflectance UV‐Vis, EPR), CHN analyses, X‐ray diffraction (XRD), thermogravimetric analyses, and SQUID magnetometry to give an insight into their structure and composition. Besides, they had their BET surface area determined by nitrogen adsorption‐desorption isotherms, to assess their porosity. At last, their capacity to adsorb carbon dioxide selectively was also evaluated, in line with those reported for similar systems in the literature. Although having small surface area, these compounds are able to adsorb CO2 selectively at very low pressure (under 600 mbar).
Preparation of an Ionic Liquid Based on Polystyrene Microspheres to Catalyze the Conversion of Furfuryl Alcohol to Ethyl Levulinate
Authors: Hu Aiyun , Wang Haijun , Ding Jian 
Published: August 2022

AbstractExhaustion of petroleum resources is seriously accelerating, hence, it is crucial to find renewable energies and change the global energy consumption structure. Biomass energy is the only carbon ‐ containing energy currently available and is irreplaceable in the preparation of fuels and chemicals. This study focuses on the transformation of furfuryl alcohol to ethyl levulinic acid ester using our prepared catalyst consisting of ionic liquid on polystyrene microspheres. The catalyst was characterized by IR, TG, XRD, BET and XPS techniques. In the presence of our catalyst, the conversion of furfuryl alcohol and ethyl levulinic acid yield was 98.54 % and 92.41 %, respectively. Repeated experiments showed that the acidic sites on the catalyst were occupied, slightly decreasing catalytic performance. However, after soaking and washing in concentrated sulfuric acid the catalytic activity was recovered, indicating immobilization on catalyst's surface and its stability during the reaction.
Highly Conductive and Mechanically Robust NiFe Alloy Aerogels: An Exceptionally Active and Durable Water Oxidation Catalyst
Authors: Liang Caiwu , Pan Weisheng , Zou Peichao , Liu Peng , Liu Kangwei , Zhao Guangyao , Fan Hong Jin , Yang Cheng 
Published: August 2022

AbstractPoor stability of nanostructured electrocatalysts at rigorous industrial conditions significantly inhibits their performances in practical electrolyzers. Although many substrate‐supported nanostructured electrocatalysts present attractive performance at small currents, they cannot sustain industry‐level high current densities for long‐term operation. Herein, by chemically organizing nanoscale electrocatalysts into a macroscopic substrate‐free metallic alloy aerogel, this NiFe‐based nano‐catalyst achieves 1000‐h durability at industrial‐level current densities, with exceptionally high activities of 500 mA at the overpotential of only 281 mV. This NiFe alloy aerogel is constructed by a magnetic‐field assisted growth and assembly of ferromagnetic NiFe nanoparticles, in which nanowires are loosely crosslinked by metallic joints. This alloy aerogel shows a high electric conductivity of 500 S m−1, structural stability for more than 1.5 years in alkaline electrolyte, and almost complete recovery after compression exceeding 50% strain for 1000 cycles. The excellent mechanical stability of this metallic aerogel behaves as the key contributor to the superior electrocatalytic stability under industrially relevant conditions. This work offers a paradigm for electrode design for the practical application of nano‐catalysts in industrial alkaline water electrolysis.
Pancreatic enzyme treatment in chronic pancreatitis: Quality of management and adherence to guidelines–A cross‐sectional observational study
Authors: Erchinger Friedemann , Tjora Erling , Nordaas Ingrid Kvåle , Dimcevski Georg , Olesen Søren Schou , Jensen Nanna , Dahl Eva Efsen , Borch Anders , Nøjgaard Camilla , Novovic Srdan , Barauskas Giedrus , Ignatavicius Povilas , Vujasinovic Miroslav , Lőhr Matthias , Laukkarinen Johanna , Parhiala Mikael , Drewes Asbjørn Mohr , Engjom Trond 
Published: August 2022

AbstractObjectivesPancreatic exocrine insufficiency (PEI) is a common complication in patients with chronic pancreatitis (CP), leading to increased morbidity and mortality if not treated adequately. Pancreatic enzyme replacement therapy|pancreas enzyme replacement therapy (PERT) is the cornerstone in treatment of patients with PEI. In the present study, we use data from the Scandinavian Baltic Pancreatic Club database to examine adherence of PERT according to United European Gastroenterology evidence‐based guidelines treatment of CP.Patients and methodsPatients with definitive or probable CP according to M‐ANNHEIM diagnostic criteria were included. We collected information on exposures, exocrine function, intake of pancreatic enzymes, and markers of nutrition. Fecal elastase <200 μg/g was defined as a marker for PEI. Enzyme replacement therapy of 100,000 lipase units or more was defined as adequate treatment.ResultsWe included 1006 patients from 8 centers in five countries. Sixty‐four percent of the patients were correctly treated. Twenty‐five per cent of PEI patients were not taking enzymes at all, and 20% of PEI patients were undertreated with insufficient PERT doses according to the guidelines. Fourteen percent of patients with sufficient pancreatic function were receiving enzymes despite normal exocrine pancreatic function. There were center differences. Current smoking was associated with lack of treatment and alcohol abuse was associated with under‐treatment. There were no associations between “no treatment” or “under‐treatment” for underweight or vitamin D deficiency.ConclusionIn our CP expert centers, the adherence to guidelines for enzyme treatment is insufficient. Both patient factors and center differences have influence on treatment adherence.
Metrics as tools for bridging climate science and applications
Authors: Reed Kevin A. , Goldenson Naomi , Grotjahn Richard , Gutowski William J. , Jagannathan Kripa , Jones Andrew D. , Leung L. Ruby , McGinnis Seth A. , Pryor Sara C. , Srivastava Abhishekh K. , Ullrich Paul A. , Zarzycki Colin M. 
Published: August 2022

AbstractIn climate science and applications, the term “metric” is used to describe the distillation of complex, multifaceted evaluations to summarize the overall quality of a model simulation, or other data product, and/or as a means to quantify some response to climate change. Metrics provide insights into the fidelity of processes and outcomes from climate models and can assist with both differentiating models' representation of variables or processes and informing whether models are “fit for purpose.” Metrics can also provide a valuable reference point for co‐production of knowledge between climate scientists and climate impact practitioners. Although continued metric developments enable model developers to better understand the impacts of decisions made in the model design process, metrics also have implications for the characterization of uncertainty and facilitating analyses of underlying physical processes. As a result, comprehensive evaluation with multiple metrics enhances usability of climate information by both scientific and stakeholder communities. This paper presents examples of insights gained from the development and appropriate use of metrics, and provides examples of how metrics can be used to engage with stakeholders and inform decision‐making.This article is categorized under:
Climate Models and Modeling > Knowledge Generation with Models
The Social Status of Climate Change Knowledge > Climate Science and Decision Making
Assessing Impacts of Climate Change > Evaluating Future Impacts of Climate Change
A review of air travel behavior and climate change
Authors: Gössling Stefan , Dolnicar Sara 
Published: August 2022

AbstractAir transport challenges the world's net‐zero carbon ambitions. The sector has consistently grown and causes warming as a result of both CO2 and other, short‐lived emissions. Two principal solutions have been proposed to reduce the contribution of aviation to climate change: innovations of technology and the development of interventions to trigger behavioral change. Technological innovations include new propulsion technologies and the use of sustainable aviation fuels. Behavioral change includes flight avoidance, substitution with other means of transport, the choice of efficient flight options, and carbon offsetting. This article focuses on behavior; it offers an overview of factors that lead to consumers traveling by air and discusses demand distribution complexities. The importance of price for air travel decisions is assessed, and evidence of travel “wants” are contrasted with “needs,” the latter investigated in light of the COVID‐19 pandemic. The review of relevant scholarly work culminates in an action list enabling air travelers, policy makers, the aviation industry, researchers and society to meaningfully advance low‐carbon air transport trajectories.This article is categorized under:
Perceptions, Behavior, and Communication of Climate Change > Behavior Change and Responses
The Carbon Economy and Climate Mitigation > Policies, Instruments, Lifestyles, Behavior