bluuebunny/crossref_metadata_2025_split huggingface dataset:
CO2 Hydrogenation to Hydrocarbons over Fe/BZY Catalysts
Authors: Karakaya Canan , White Erick , Jennings Dylan , Kidder Michelle , Deutschmann Olaf , Kee Robert J. 
Published: August 2022

AbstractThis manuscript reports a CO2 hydrogenation process in a catalytic laboratory‐scale packed‐bed reactor using an Fe/BZY15 (BaZr0.85Y0.15O3‐δ) catalyst to form hydrocarbons (e. g., CH4, C2+) at elevated pressure of 30 bar and temperatures in the range
°C. The effects of temperature, feed composition (i. e., CO2/H2 ratio, and residence time (i. e., Weight Hourly Space Velocity (WHSV) are studied to understand the relationship between CO2 conversion and carbon selectivity. Catalyst characterization elucidates the relationships between the catalyst structure, surface adsorbates, and reaction pathways. Thermodynamic analyses guide the experimental conditions and assist in interpreting results. While the feed composition and temperature influence the product distribution, the results suggest that the higher‐carbon (C2+) selectivity and yield depend strongly on residence time. The results suggest that the CO2 hydrogenation reaction pathway is similar to Fischer–Tropsch (FT) synthesis. The reaction begins with CO2 activation to form CO, followed by chain‐growth reactions similar to the FT process. The CO2 activation depends on the redox activity of the catalyst. However, the carbon chain growth depends primarily on the residence time. as is the case for the FT synthesis, high residence time (on the orders of hours) is required to achieve high C2+ yield.
[Bmim]FeCl4 Efficient Catalytic Oxidative Removal of H2S by Cu2+ Synergistic Reinforcement
Authors: Qiu Kui , Liu Zhihao , Dong Yu , Liu Luwei , Li Weijun , Niu Shihao , Jin Zhaobo 
Published: August 2022

AbstractAn iron/copper bimetallic catalytic oxidation desulfurization system was constituted by adding N‐methyl pyrrolidone (NMP) and CuCl2 aqueous solution to an iron‐based ionic liquid (Fe‐IL) for the removal of hydrogen sulfide from industrial gas streams. The desulfurizer and its sulfur products were characterized using Fourier transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), and X‐ray diffraction (XRD). Static desulfurization experiments were conducted to investigate the absorption pattern of the system for H2S. The addition of NMP and water effectively reduced the acidity and viscosity of the system and improved the gas‐liquid mass transfer efficiency. The introduction of CuCl2 increased the oxidation potential of the solution and enabled Fe3+ to efficiently catalyze the oxidation of H2S to produce monomeric S. The synergistic catalytic oxidation between Fe3+/Cu2+ is the main reason why the system can maintain a high degree of purification over a long period.
High Performance Bifunctional Electrocatalysts Designed Based on Transition‐Metal Sulfides for Rechargeable Zn–Air Batteries
Authors: Wang Bingqian , Li Guangda 
Published: August 2022

AbstractDue to the energy crisis by the excessive consumption of fossil fuels, Zinc–air batteries (ZABs) with high theoretical energy density have attracted people‘s attention. The overall performance of ZABs is largely determined by the air cathode catalyst. Therefore, it is necessary to develop high‐efficiency and low‐cost bifunctional catalysts to replace noble metal catalysts to promote the development of ZABs. Among a variety of cathode catalysts, TMS has become a research hotspot in recent years because of its better electrical conductivity than metal phosphides and metal oxides. In this work, we focus on the means of improving the electrocatalytic performance of transition‐metal sulfides (TMS) providing ideas for us to rationally design high‐performance catalysts. Furthermore, the performance improvement law between catalyst performance and ZABs is also discussed in this work. Finally, some challenges and opportunities faced in the research of TMS electrocatalysis are briefly proposed, and strategies for improving the performance of ZABs are prospected.
Coronene and Bipyridine Derivatives Inducing Diversified Structural Transitions of Carboxylic Acids at the Liquid/Solid Interface
Authors: Meng Ting , Lei Peng , Zhang Yufei , Deng Ke , Xiao Xunwen , Zeng Qingdao 
Published: August 2022

Comprehensive SummaryIn recent years, the construction of stable multicomponent assembled structures on surfaces and the exploration of the assembled mechanism have become research hotspots. In this paper, the azobenzene‐carboxylic acid called (E)‐4’,4”’‐(diazene‐1,2‐diyl) bis(([1,1’‐biphenyl]‐3,5‐dicarboxylic acid)) (H4DBBD) could self‐assemble into regular network structure at heptanoic acid/graphite via hydrogen bonding, and could be regulated into analogous kagomé network by coronene (COR) molecules. In addition, a series of bipyridine derivatives were further introduced to construct bi‐component systems with H4DBBD molecules, and successfully induced diversified structural transitions of H4DBBD on the graphite surface. Combined with scanning tunneling microscope (STM) and density functional theory (DFT) calculations, we have investigated the diversified structural transitions and analyzed the formation mechanism of the assembled systems.
MOF‐Incorporated Binuclear N‐Heterocyclic Carbene‐Cobalt Catalyst for Efficient Conversion of CO2to Formamides
Authors: Zhou Zhenzhen , Liu Xiao , Ma Jian‐Gong , Cheng Peng 
Published: August 2022

AbstractEnvironmental problem caused by carbon emission is of widespread concern. Involving CO2as C1resource into chemical synthesis is one of the most attractive ways for carbon recycling. Herein, the first example of host–guest composites featuring metal–organic framework (MOF)‐encapsulated binuclear N‐heterocyclic carbene (NHC) complex, Co2@MIL101, was developed with the molecularly dispersed [Co(IPr)Br]2(μ‐Br)2(Co2) loading in the cage of MIL‐101(Cr) via a “ligand‐in‐dimer‐trap” strategy, which was comprehensively investigated through various techniques including synchrotron X‐ray absorption, electron microscopy, X‐ray diffraction, solid‐state nuclear magnetic resonance spectroscopy, and others. The noble‐metal‐free double‐sites catalystCo2@MIL101 exhibited promising stability, activity, efficiency, reusability, and substrate adaptability for converting CO2into various formamides with amines and hydrosilanes and achieved the best performance for one of the most useful formamides,N‐methyl‐N‐phenylformamide (MFA), among the recyclable catalysts at ambient conditions, providing a reliable approach to successfully unify the advantages of both homo‐ and heterogeneous catalysts. Density functional theory calculations were applied to illustrate the superior activity of the binuclear NHC complex center as double‐sites catalyst toward the activation of CO2.
Fungivorous nematodes drive microbial diversity and carbon cycling in soil
Authors: Kane Jennifer L. , Kotcon James B. , Freedman Zachary B. , Morrissey Ember M. 
Published: August 2022

AbstractSoil bacteria and fungi mediate terrestrial biogeochemical cycling, but we know relatively little about how trophic interactions influence their community composition, diversity, and function. Specifically, it is unclear how consumer populations affect the activity of microbial taxa they consume, and therefore the interaction of those taxa with other members of the microbial community. Due to its extreme diversity, studying trophic dynamics in soil is a complex feat. Seeking to address these challenges, we performed a microcosm‐based consumer manipulation experiment to determine the impact of a common fungal‐feeding nematode (Aphelenchus avenae) on soil microbial community composition, diversity, and activity (e.g., C cycling parameters). Fungivory decreased fungal and bacterial α‐diversity and stimulated C and N cycling, possibly via cascading impacts of fungivory on bacterial communities. Our results present experimental evidence that soil trophic dynamics are intimately linked with microbial diversity and function, factors that are key in understanding global patterns in biogeochemical cycling.
Electrochemistry of Lipophilic Redox Enzymes Associated with a Reversible Follow‐up Chemical Reaction – Theoretical Consideration in Cyclic Staircase Voltammetry
Authors: Gulaboski Rubin 
Published: August 2022

AbstractProtein‐film voltammetry (PFV) is established as an efficient methodology for studying the redox activity of lipophilic proteins and enzymes some 25 years ago. Yet it is still a challenge to understand specific behaviour of these systems under different voltametric conditions. In this work we apply cyclic staircase voltammetry to study theoretically the electrochemical properties of lipophilic redox enzymes, whose product of the electrochemical transformation at the working electrode is involved in a reversible chemical reaction. Attention is paid to understand how the kinetics of follow‐up chemical reaction affects the features of theoretical staircase cyclo‐voltammetric patterns of lipophilic redox enzymes.
Experimental comparison of solar thermal desalination systems based on energy, exergy and economic (3‐E) analysis
Authors: Kumar Amit , Tiwari Abhishek , Mehla Neeraj 
Published: August 2022

AbstractWith rapid increase in human population, the demand of fresh water has been increased significantly and the world will encounter enormous water crisis by 2040. The sea contains nearly 97% of available water on earth. To fulfill the demand of fresh water, desalination of sea water can be best solution. As desalination process can be performed by using low grade energy, the use of solar energy for desalination is very popular. The most popular solar thermal desalination system is conventional solar still but its productivity is very low. In the present study, a new desalination system based on evacuated tube collectors (ETC) is developed and its performance is compared with conventional solar still experimentally. The present system consists of 15 evacuated tubes, an insulated storage tank, a heat exchanger, a condenser, and a thermic fluid as working medium. The performance of both systems is compared on the basis of daily productivity, energy and exergy efficiency, and economic viability. It is observed that the ETC‐based desalination system performed better as compared to the solar still. The average energy and exergy efficiency, productivity and produced fresh water cost of desalination systems based on ETC and conventional solar still are 43.74%, 9.52%, 4.2 L/m2/day, 0.022 $/L and 19.23%, 1.4%, 1.975 L/m2/day, 0.024 $/L respectively. Further, the pay‐back time for ETC based desalination system is also less (104 days) as compared to solar still (113 days).
Comparing 10- and 28-Day Sediment Toxicity and Bioaccumulation of Fluoranthene in Hyalella azteca Using Passive Sampling Techniques
Authors: Nishimori Takahiro , Hiki Kyoshiro , Fischer Fabian Christoph , Endo Satoshi , Yamamoto Hiroshi , Watanabe Haruna 
Published: August 2022

Abstract
Understanding the changes in the temporal and spatial concentrations of chemical substances in sediment toxicity tests facilitates interpretation of their toxicity and accumulation in benthic organisms because benthic organisms are affected by chemicals via multiple exposure pathways. However, such investigations using chronic sediment toxicity tests have rarely been performed. To examine the concentration profiles of a hydrophobic organic chemical using chronic spiked-sediment toxicity tests, we performed 28-day sediment toxicity tests of fluoranthene with a freshwater amphipod, Hyalella azteca, using a semi-flow-through system and compared the results with those of 10-day tests. In these experiments, we measured various types of fluoranthene concentrations over the test periods: total dissolved (Cdiss) and freely dissolved (Cfree) concentrations in overlying water and porewater as well as sediment concentrations. We also examined which concentration correlated with the amphipod bioconcentration factor (BCF). We found that both overlying water and porewater Cfree did not differ significantly on days 10 and 28. Sediment concentrations remained almost stable for 28 days, whereas Cdiss in overlying water varied temporally. These results suggest that the 28-day test provides almost constant concentrations of fluoranthene, particularly in porewater, even in a semi-flow-through system. In addition, the comparison of BCF of fluoranthene on day 10 in the present study with that obtained from water-only tests reported in the literature suggested that Cfree in pore water was the most representative indicator of bioaccumulation in H. azteca. Our findings support the possible use of a water-exchange system in chronic spiked-sediment toxicity tests of hydrophobic organic chemicals. However, further studies using sediments and chemicals with different properties are warranted to generalize the findings of the present study. Environ Toxicol Chem 2022;41:2679–2687. © 2022 SETAC
Combining Polar Organic Chemical Integrative Samplers (POCIS) with Toxicity Testing on Microalgae to Evaluate the Impact of Herbicide Mixtures in Surface Waters
Authors: Carafa Roberta , Gallé Tom , Massarin Sandrine , Huck Viola , Bayerle Michael , Pittois Denis , Braun Christian 
Published: August 2022

Abstract
Pesticide risk assessment within the European Union Water Framework Directive is largely deficient in the assessment of the actual exposure and chemical mixture effects. Pesticide contamination, in particular herbicidal loading, has been shown to exert pressure on surface waters. Such pollution can have direct impact on autotrophic species, as well as indirect impacts on freshwater communities through primary production degradation. The present study proposes a screening method combining polar organic chemical integrative samplers (POCIS) with mode of action–specific toxicity testing on microalgae exposed to POCIS extracts as a standard approach to effectively address the problem of herbicide mixture effects detection. This methodology has been tested using Luxembourgish rivers as a case study and has proven to be a fast and reliable information source that is complementary to chemical analysis, allowing assessment of missing target analytes. Pesticide pressure in the 24 analyzed streams was mainly exerted by flufenacet, terbuthylazine, nicosulfuron, and foramsulfuron, with occasional impacts by the nonagricultural biocide diuron. Algae tests were more sensitive to endpoints affecting photosystem II and reproduction than to growth and could be best predicted with the concentration addition model. In addition, analysis revealed that herbicide mixture toxicity is correlated with macrophyte disappearance in the field, relating mainly to emissions from maize cultures. Combining passive sampler extracts with standard toxicity tests offers promising perspectives for ecological risk assessment. The full implementation of the proposed approach, however, requires adaptation of the legislation to scientific progress. Environ Toxicol Chem 2022;41:2667–2678. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Should developing countries ban dual practice by physicians? Analysis under mixed hospital competition
Authors: Dutta Indranil , Pezzino Mario , Song Yan 
Published: August 2022

AbstractDual practice, where physicians work both in public and private hospitals, is a widely observed phenomenon, particularly in developing countries. This paper studies a multi‐stage game where hospitals compete for physicians as well as patients and, the service provided by physicians endogenously depends on the competitive setting in which hospitals operate. Specifically, we examine the impact of allowing dual practice on hospital payoffs, physician's service and societal welfare. We find that dual practice is socially desirable, since it softens the competition for physician's exclusive service while also increasing the amount of their service. However, if the degree of competition between the hospitals is significant, dual practice may not yield the highest payoffs for both public and private hospitals.
The role of day‐respite centres in supporting people with dementia to age in place: An interpretive phenomenological study
Authors: Lole Lisa , Conway Jessica , Oorloff Anthea , Duffy Cameron 
Published: August 2022

AbstractIssue AddressedDay‐respite care opportunities for people with dementia help prevent informal carer burnout and enable ageing in place. Care workers in these settings are an under‐researched workforce who play a pivotal role in providing an engaging and supportive environment for clients with dementia. This study aimed to understand their experiences of providing care for people with dementia.MethodsAn interpretive phenomenological analysis explored the factors that challenge and enable day‐respite centre workers of the sole facility in one regional Australian town to provide, what they perceive to be high‐quality, person‐centred care for people with dementia. Thematic analysis revealed four themes relating to the experience of providing care to people with dementia in this day‐respite centre.ResultsCare challenges associated with the symptoms of dementia were recognised by participants; however, these issues were mitigated by the powerful enabling factors, including a strong focus on dementia‐friendly care, operating within the centre. Thematic analysis yielded four themes of a person‐centred workplace culture and strategy, embedded communication practices, provision of a safe and engaging environment and positive staff attributes. These themes were perceived to make participants' jobs more enjoyable, as well as improve their clients' and carers' quality of life.ConclusionsDay‐respite centres offer a valuable resource for people with dementia and their carers, and their success depends on several key environmental and workforce factors. Accordingly, other facilities targeted at caring for this population should assess the feasibility of adopting similar strategies, including selecting and training specialised care staff, adapting the care environment to suit clients' physical and behavioural needs. and establishing routine multi‐channel communication methods that effectively connect staff with other care providers, their clients, and their clients' carers.So what?The lessons learned in this research could be implemented throughout the wider web of dementia care. Strategies might include the careful selection and training of staff; the provision of dedicated, safe dementia‐friendly wards; and routine communication key stakeholders to ensure met‐needs care. While there would be a need to scale such care to suit different individual care providers, even seemingly simple strategies would likely have positive effects in optimising care for people diagnosed with this debilitating neurocognitive disease.
MAP3K7 is an innate immune regulatory gene with increased expression in human and murine kidney intercalated cells following uropathogenic Escherichia coli exposure
Authors: Saxena Vijay , Arregui Samuel , Kamocka Malgorzata Maria , Hains David S. , Schwaderer Andrew 
Published: August 2022

AbstractUnderstanding the mechanisms responsible for the kidney's defense against ascending uropathogen is critical to devise novel treatment strategies against increasingly antibiotic resistant uropathogen. Growing body of evidence indicate Intercalated cells of the kidney as the key innate immune epithelial cells against uropathogen. The aim of this study was to find orthologous and differentially expressed bacterial defense genes in human versus murine intercalated cells. We simultaneously analyzed 84 antibacterial genes in intercalated cells enriched from mouse and human kidney samples. Intercalated cell “reporter mice” were exposed to saline versus uropathogenic Escherichia coli (UPEC) transurethrally for 1 h in vivo, and intercalated cells were flow sorted. Human kidney intercalated cells were enriched from kidney biopsy using magnetic‐activated cell sorting and exposed to UPEC in vitro for 1 h. RT2 antibacterial PCR array was performed. Mitogen‐activated protein kinase kinase kinase 7 (MAP3K7) messenger RNA (mRNA) expression increased in intercalated cells of both humans and mice following UPEC exposure. Intercalated cell MAP3K7 protein expression was defined by immunofluorescence and confocal imaging analysis, was consistent with the increased MAP3K7 mRNA expression profiles defined by PCR. The presence of the orthologous innate immune gene MAP3K7/TAK1 suggests that it may be a key regulator of the intercalated cell antibacterial response and demands further investigation of its role in urinary tract infection pathogenesis.
Extraction of β‐galactosidase from Saccharomyces fragilisIZ 275 grown in cheese whey
Authors: Setti Ana Caroline Iglecias , Bosso Alessandra , Morioka Luiz Rodrigo Ito , Suguimoto Hélio Hiroshi 
Published: August 2022

AbstractBACKGROUNDThe enzyme β‐galactosidase (EC 3.2.1.2.3) obtained from yeast is produced intracellularly. Cell extraction consists of the treatment of a cell suspension with chemical agents, thus obtaining the enzyme with biological activity. After obtaining the extracted enzyme, it is concentrated by ultrafiltration and dried. Lyophilization can be used in this step. The objective of this work was to study the production and extraction of β‐galactosidase from Saccharomyces fragilis IZ 275 using lactose from cheese whey.RESULTSUnder optimum extraction conditions, 2% (v/v) chloroform, 37 °C for 6 h of extraction, 35% of lactose hydrolysis was achieved using 1% (v/v) β‐galactosidase during 10 h of hydrolysis. Extracted enzyme activity resulted in 81% lactose hydrolysis using 12% (v/v) enzyme at pH 6.0 and 37 °C. Enzymatic kinetics were evaluated using 12% of extracted enzyme in 5 h of hydrolysis reaction, and 100% lactose hydrolysis was obtained. The enzyme activity after extraction, concentration and lyophilization was 100%, 60% and 45.3% of lactose hydrolysis, respectively, after 5 h of hydrolysis reaction at 37 °C and pH 6.0.CONCLUSIONThe yeast S. fragilis IZ 275 grown in cheese whey produces intracellular β‐galactosidase and its extraction is efficient with the use of 2% chloroform at 37 °C for 6 h, allowing its use for industrial and pharmaceutical purposes. The extracted enzyme must be used at 37 °C and pH 6.0 at a concentration of 12% (v/v) of enzyme to obtain the total hydrolysis of lactose in 5 h of reaction. © 2022 Society of Chemical Industry (SCI).
Fragmenting nanoPutians: Capturing admiration to the rationality, predictability, and beauty of ion chemistry in mass spectrometry
Authors: Sabino Adão A. , Chanteau Stephanie H. , Henrique Astolfi Ferreira João , Camacho Santos Alicia , Canevari Thiago C. , Tour James M. , Eberlin Marcos N. 
Published: August 2022

AbstractThe fragmentation chemistry of the protonated and ionized nanoPutian 1 has been studied in the gas phase via electrospray ionization and tandem mass spectrometry. A direct analogy was observed between the fragmentation chemistry of this fascinating “humanoid molecule” and “cleavages” at certain parts of the human body. We argue that such direct analogy and illustrative schemes for the fragmentation of molecular ions of 1 offer a ludic and efficient tool to teach and capture attention to ion chemistry in mass spectrometry. Using the changes in mass for the two heavier nanoPutians with different head styles but the same body design, the analogy has also been used to predict mass spectra. The concepts of isotopic labelling and dissociation thresholds have also been illustrated. For many years, the approach has been successfully used by one of us in classes and lectures, mainly when presenting ion chemistry to students and audiences from fields other than Chemistry, most particularly from Biology, Medicine, and Forensic Chemistry.