bluuebunny/crossref_metadata_2025_split huggingface dataset:
Toxic Effects of Xenobiotic Compounds on the Microbial Community of Activated Sludge
Authors: Jagaba Ahmad Hussaini , Kutty Shamsul Rahman Mohamed , Isa Mohamed Hasnain , Ghaleb Aiban Abdulhakim Saeed , Lawal Ibrahim Mohammed , Usman Abdullahi Kilaco , Birniwa Abdullahi Haruna , Noor Azmatullah , Abubakar Sule , Umaru Ibrahim , Saeed Anwar Ameen Hezam , Afolabi Haruna Kolawole , Soja Usman Bala 
Published: September 2022

AbstractThe presence of xenobiotic compounds in biological wastewater treatment processes with activated sludge may reduce microbial communities, disrupt microbial diversity, and diminish system performance. Shock loads and unusual operating events in these biological systems have negative impacts on their efficiency and reliability for pollutant degradation, thereby posing high risk to microorganisms and water quality of receiving treated water bodies. The severity and characteristics of the occurring damage are determined by the toxic contaminant's degree, nature and mode of application. This review highlights the effects of metabolic uncouplers, heavy metals, carbon nanotubes, pharmaceuticals and personal care products, nanoparticles, and phenolic compounds stress on microbial biomass in activated sludge systems. The synergistic, antagonistic, and shock load toxic effects of hybrid substances exposure in an activated sludge sequential batch reactor (SBR) system on organic and nutrient removal, system efficiency, and toxicants biodegradation are discussed. The findings can be used to provide a theoretical foundation and professional assistance for optimizing the shock impacts of these toxic substances on biological wastewater treatment systems, which will help to reduce their negative effects on treatment system efficiency.
On the Role of Interfacial Water Dynamics for Electrochemical Stability of RuO2 and IrO2
Authors: Evazzade Iman , Zagalskaya Alexandra , Alexandrov Vitaly 
Published: September 2022

AbstractBased on the coincident onsets of oxygen evolution reaction (OER) and metal dissolution for many metal‐oxide catalysts it was suggested that OER triggers dissolution. It is believed that both processes share common intermediates, yet exact mechanistic details remain largely unknown. For example, there is still no clear understanding as to why rutile IrO2 exhibits such an exquisite stability among water‐splitting electrocatalysts. Here, we employ density functional theory calculations to analyze interactions between water and the (110) surface of rutile RuO2 and IrO2 as a response to oxygen evolution involving lattice oxygen species. We observe that these oxides display qualitatively different interfacial behavior that should have important implications for their electrochemical stability. Specifically, it is found that IrO2(110) becomes further stabilized under OER conditions due to the tendency to form highly stable low oxidation state Ir(III) species. In contrast, Ru species at RuO2(110) are prone to facile reoxidation by solution water. This should facilitate the formation of high Ru oxidation state intermediates (>IV) accelerating surface restructuring and metal dissolution.
Protection of a Gold Catalyst by a Supramolecular Cage Improves Bioorthogonality
Authors: James Catriona C. , Wu Dinghao , Bobylev Eduard O. , Kros Alexander , de Bruin Bas , Reek Joost N. H. 
Published: September 2022

AbstractGold catalysts exhibit poor compatibility with cellular components. We show that encapsulation of a gold catalyst within the cavity of a supramolecular cage improves the reactivity of the gold complex under biological conditions. The gold complex catalyzes an intramolecular hydroarylation to produce a fluorescent dye. The encapsulated gold is able to produce this dye in higher yields compared to the free gold under aqueous aerobic conditions and in the presence of biological additives. The substrate was found to be highly cytotoxic, meaning that a very low substrate concentration of 1 μM is required to carry its transformation inside living cells; however, catalysis in cell culture media carried out at micromolar range is found to be inhibited. Although this specific reaction cannot be applied inside living cells, we present a viable strategy to improve the reactivity of gold catalysts in vivo.
Graphitic Carbon Nitride as a Heterogeneous Photocatalyst for the Hydrophosphorylation and Hydrophosphorylative Cyclization Reactions of Terminal Alkyne and Its Derived Enynes
Authors: Hou Hong , Wang Jiawei , Chen Xiaoyun , Han Ying , Yu Huaguang , Yan Chaoguo , Shi Yaocheng , Zhu Shaoqun 
Published: September 2022

AbstractVisible‐light mediated hydrophosphorylation and hydrophosphorylative cyclization reactions using heterogeneous graphitic carbon nitride as the photocatalyst were described. The phosphorus atom radical was generated and allows the radical addition and addition/cyclization sequence, efficiently resulting in the final phosphorylated alkenes and cycles formation. Recyclable, nontoxic and low‐cost heterogeneous graphitic carbon nitride as visible light photocatalyst provides a new opportunity for the hydrophosphorylation and hydrophosphorylative cyclization reactions under the present redox‐neutral conditions.
Tribological Design by Molecular Dynamics Simulation: Influence of the Molecular Structure on Wall Slip and Bulk Shear
Authors: Mehrnia Seyedmajid , Pelz Peter F. 
Published: September 2022

AbstractThe tribological properties of a complex branched‐hydrocarbon oil under shear in a gap between smooth iron atom surfaces were studied by large‐scale molecular dynamics (MD) simulation. The liquid was a nonpolar lubricant, i.e. a polyalphaolefin (PAO) oil mixture of 1‐decane dimer, trimer, and tetramer molecules. The rheological characteristics of the lubricant, including the shear stress and viscosity as well as the relaxation time of the liquid molecule, were calculated. The results show that, as the number of branches of the liquid molecule increases, the shear stresses and the wall slip increase. However, for a mixture fluid containing three different branched molecules, the wall slip decreases in comparison to a liquid consisting of only one kind of branched molecule.
Tuning the electronic structure of a metal–organic framework for an efficient oxygen evolution reaction by introducing minor atomically dispersed ruthenium
Authors: Li Yuwen , Wu Yuhang , Li Tongtong , Lu Mengting , Chen Yi , Cui Yuanjing , Gao Junkuo , Qian Guodong 
Published: September 2022

AbstractThe establishment of efficient oxygen evolution electrocatalysts is of great value but also challenging. Herein, a durable metal–organic framework (MOF) with minor atomically dispersed ruthenium and an optimized electronic structure is constructed as an efficient electrocatalyst. Significantly, the obtained NiRu0.08‐MOF with doping Ru only needs an overpotential of 187 mV at 10 mA cm−2 with a Tafel slop of 40 mV dec−1 in 0.1 M KOH for the oxygen evolution reaction, and can work continuously for more than 300 h. Ultrahigh Ru mass activity is achieved, reaching 56.7 A g−1Ru at an overpotential of 200 mV, which is 36 times higher than that of commercial RuO2. X‐ray adsorption spectroscopy and density function theory calculations reveal that atomically dispersed ruthenium on metal sites in MOFs is expected to optimize the electronic structure of nickel sites, thus improving the conductivity of the catalyst and optimizing the adsorption energy of intermediates, resulting in significant optimization of electrocatalytic performance. This study could provide a new avenue for the design of efficient and stable MOF electrocatalysts.
Multifunctional Organocatalysts ‐ Singly‐Linked and Macrocyclic Bisphosphoric Acids for Asymmetric Phase‐Transfer and Brønsted‐Acid Catalysis
Authors: Thiele Maike , Rose Thomas , Lõkov Märt , Stadtfeld Sophia , Tshepelevitsh Sofja , Parman Elisabeth , Opara Karina , Wölper Christoph , Leito Ivo , Grimme Stefan , Niemeyer Jochen 
Published: September 2022

AbstractThe linking of phosphoric acids via covalent or mechanical bonds has proven to be a successful strategy for the design of novel organocatalysts. Here, we present the first systematic investigation of singly‐linked and macrocyclic bisphosphoric acids, including their synthesis and their application in phase‐transfer and Brønsted acid catalysis. We found that the novel bisphosphoric acids show dramatically increased enantioselectivities in comparison to their monophosphoric acid analogues. However, the nature, length and number of linkers has a profound influence on the enantioselectivities. In the asymmetric dearomative fluorination via phase‐transfer catalysis, bisphosphoric acids with a single, rigid bisalkyne‐linker give the best results with moderate to good enantiomeric excesses. In contrast, bisphosphoric acids with flexible linkers give excellent enantioselectivities in the transfer‐hydrogenation of quinolines via cooperative Brønsted acid catalysis. In the latter case, sufficiently long linkers are needed for high stereoselectivities, as found experimentally and supported by DFT calculations.
Amyloid‐inspired Peptide Self‐assembly/Disassembly as Intervened by Gold Nanoparticles and Polydopamine Coating to Dictate Spatiotemporal Organization
Authors: Mavlankar Nimisha A. , K. Awasthi Anand , Ralhan Jahanvi , Pal Asish 
Published: September 2022

AbstractSpatiotemporal control for supramolecular polymerization has rendered a paradigm shift towards designing complex multi‐component supramolecular materials and derived nanocomposites. In this paper, we demonstrate self‐assembly/disassembly of amyloid‐inspired peptide nanostructures from Fmoc‐VFFAKK, 1 using gold nanoparticles (AuNPs)/cysteine mediated coupled equilibrium. We report the use of AuNPs to disaggregate the β‐sheets of the peptide nanofibers 1NF and twisted bundles 1TB to furnish dormant metastable nanoparticles. Upon cysteine mediated sequestration of the AuNPs the peptide fibers are regenerated. Such self‐assembly/disassembly of the fibers shows implication in tuning the mechanical strength of the resulting hydrogels. Further, a conformal coating of polydopamine (PDA) over the peptide fibers using the lysine amines furnishes rather robust fibers and orthogonally safeguard itself from AuNPs mediated disassembly of the fibers. Finally, such active coating with PDA having amine/quinone moieties allows selective attachment of AuNPs to furnish 1‐D organization of AuNPs over the coated peptide fibers.
Glycerol Valorization Towards Glycolic Acid Production Over Cu‐Based Biochar Catalyst
Authors: Liao Shengqi , Tian Qing , Xiao Yuan , Qin Diyan , Li Jianmei , Hu Changwei 
Published: September 2022

AbstractGlycerol valorization towards high‐value chemicals is of particular importance to increase the value chain of biodiesel production. In this study, the catalytic activity of a series of cheap Cu‐based catalysts for glycerol conversion is investigated. Cu supported on activated carbon (AC, obtained through carbonization of coconut shell) exhibits outstanding catalytic activity for the selective conversion of glycerol into glycolic acid (GcA) in O2 atmosphere, affording up to 68.3 % GcA yield. The combination of experimental results with theoretical calculations reveals that glyceraldehyde is the key reaction intermediate. The high specific surface area and surface oxygenated groups of AC enable the formation of CuO nanoparticles with small size and uniform dispersion. In addition, the surface oxygen vacancy on Cu/AC might help to activate reaction intermediates, and the electron transfer from Cu to AC facilitates the oxidation of glycerol to GcA. Cu loaded onto AC also significantly inhibits C−C breakage to generate formic acid as a byproduct. This work might aid the development of approaches for glycerol application and afford profitable possibilities for sustainable biodiesel.
A method to test antibody cross‐reactivity toward animal antigens for flow cytometry
Authors: Riondato Fulvio , Colitti Barbara , Rosati Sergio , Sini Federica , Martini Valeria 
Published: September 2022

AbstractThe availability of cross‐reacting antibodies and/or of antibodies working in flow cytometry is a major issue in the veterinary field. One of the main problems is the availability of certain positive controls. With this brief communication, we report an method to quickly screen a wide number of products without the need to look for positive biological samples. We propose this approach as a first step to select the best antibodies to test on biological specimens.
MIMO spread spectrum GFDM communication systems with index modulation
Authors: Jeng Li‐Der , Ueng Fang‐Biau , Wang Xi‐Lin 
Published: September 2022

SummaryIn the fourth‐generation communication system (4G), orthogonal frequency division multiplexing (OFDM) is widely used. However, due to the cyclic prefix (CP) being added, the low spectrum efficiency and high out‐of‐band radiation (OOB) cause OFDM not to be suitable for the beyond fifth‐generation (B5G) communication system. Therefore, to meet the rigorous demands in B5G for the Internet of Things (IoT) and massive machine‐type communications (MMTC), generalized frequency division multiplexing (GFDM) technology has received significant attention. On the other hand, index modulation (IM) can provide flexible settings of different parameters to achieve the ideal system goals. Therefore, this paper considers the combination of spread spectrum (SS) and IM under the framework of GFDM, called SS‐IM‐GFDM. In this scheme, the information bits are jointly conveyed by the indices of spreading codes and the conventional M‐ary modulated symbols, which increase the spectrum efficiency and improve the bit error rate performance. Furthermore, a low‐complexity maximum likelihood (ML) detector is proposed to recover the transmitted signal effectively at the receiver. Finally, the space‐time block code (STBC) is employed to construct the multi‐input multi‐output SS‐GFDM‐IM (MIMO SS‐GFDM‐IM) system to improve the system's reliability. The simulation results show that the proposed scheme is superior to the existing systems.
A case of occult pancreaticobiliary reflux due to endoscopically confirmed relaxation of the Oddi sphincter
Authors: Kataoka Fumiya , Miura Shin , Kume Kiyoshi , Kikuta Kazuhiro , Hamada Shin , Takikawa Tetsuya , Matsumoto Ryotaro , Ikeda Mio , Sano Takanori , Sasaki Akira , Masamune Atsushi 
Published: September 2022

AbstractAn otherwise healthy 45‐year‐old woman had been experiencing intermittent right upper abdominal pain for the past 1 year. Computed tomography showed pneumobilia and pancreatic duct emphysema despite a normal duodenal papilla. Magnetic resonance cholangiopancreatography and endoscopic ultrasound confirmed bile duct dilation but without a pancreaticobiliary maljunction. Duodenoscopy detected a slightly sunken, unfixed, and spontaneously enlarged duodenal papilla. During the cholangiogram, the Oddi sphincter was relaxed and the catheter could be easily inserted into the bile duct. Further, no findings suggestive of pancreaticobiliary maljunction were observed, and the contrast medium leaked spontaneously from the duodenal papilla. As biliary amylase level was high, we surmised the occurrence of occult pancreaticobiliary reflux due to relaxation of the Oddi sphincter. However, as there are no guidelines on the management of this condition, we did not offer any treatment. Nevertheless, the patient continued to experience similar symptoms and was retested 1 year later with similar results. As occult pancreaticobiliary reflux was reconfirmed, we suggested that the patient undergo laparoscopic extrahepatic bile duct resection and cholecystectomy, which is the standard treatment for pancreaticobiliary maljunction. Pathological evaluation revealed fibrous thickening of the bile duct wall and chronic cholecystitis, which are typical findings of pancreaticobiliary reflux. Even though pancreaticobiliary reflux is mainly observed in pancreaticobiliary maljunction, it has also been reported in normal patients. Here, we describe a novel mechanism of pancreaticobiliary reflux, namely, a relaxed or defective Oddi sphincter.
Manipulation of droplets and bubbles for thermal applications
Authors: Liang Xichen , Kumar Vijay , Ahmadi Farzad , Zhu Yangying 
Published: September 2022

AbstractLiquid–vapor phase change including evaporation, boiling, and condensation is a ubiquitous process found in power generation, desalination, thermal management, building heating and cooling, and additive manufacturing. The dynamics of droplets and bubbles during phase change including nucleation, growth, and departure critically influence the thermal transport performance and system efficiency. This review will highlight recent advancements using static and dynamic strategies to manipulate droplets and bubbles for phase change applications and beyond.
Health‐related quality of life in acute heart failure: association between patient‐reported symptoms and markers of congestion
Authors: Lee Matthew M.Y. , Campbell Ross T. , Claggett Brian L. , Lewis Eldrin F. , Docherty Kieran F. , Lindner Moritz , Liu Jiankang , Solomon Scott D. , McMurray John J.V. , Platz Elke 
Published: September 2022

ABSTRACTAimsThe aim of this study was to examine the association between patient‐reported symptoms and the extent of pulmonary congestion in acute heart failure (AHF).Methods and resultsIn this prospective, observational study, patient‐reported symptoms were assessed at baseline using the Kansas City Cardiomyopathy Questionnaire total symptom score (KCCQ‐TSS) (range 0–100; 0 worst) in patients hospitalized for AHF. In a subset, patient‐reported dyspnoea at rest and on exertion was examined (range 0–10; 10 worst) at baseline. In addition, 4‐zone lung ultrasound (LUS) was performed at baseline at the time of echocardiography. B‐lines were quantified offline, blinded to clinical findings, by a core laboratory. Chest X‐ray (CXR) and physical examination findings were collected from the medical records. Among 322 patients (mean age 72, 60% men, mean left ventricular ejection fraction 39%) with AHF, the median KCCQ‐TSS score was 33 (interquartile range 18–48). Worse KCCQ‐TSS was associated with worse New York Heart Association class, dyspnoea at rest and on exertion, and peripheral oedema (p trend <0.001 for all). However, KCCQ‐TSS was not associated with the extent of pulmonary congestion, as assessed by the number of B‐lines on LUS, or findings on CXR, or physical examination (p trend >0.25 for all). Similarly, KCCQ‐TSS was not significantly associated with echocardiographic markers of left ventricular filling pressure, pulmonary pressure or with N‐terminal pro‐B‐type natriuretic peptide level.ConclusionsAmong patients hospitalized for AHF, at baseline, KCCQ‐TSS was not associated with pulmonary congestion assessed by LUS, CXR, or physical examination. These findings suggest that the profound reduction in KCCQ‐TSS in patients with AHF may not be solely explained by pulmonary congestion.
Tailored Aza‐Michael Addition as Key Step in the Synthesis of 1H‐imidazo[5,1‐c][1,4]oxazine Scaffolds
Authors: Mari Giacomo , De Crescentini Lucia , Favi Gianfranco , Mantellini Fabio , Santeusanio Stefania 
Published: September 2022

AbstractA novel protocol for the efficient synthesis of 1H‐imidazo[5,1‐c][1,4]oxazines has been developed. Aza‐Michael addition of selected primary amines to 1,2‐diaza‐1,3‐dienes (DDs) combined with isothiocyanates or isocyanates in sequential 3‐CR process, affords 2‐thiohydantoins and hydantoins with suitably positioned functional groups to be used for chemoselective acid‐promoted ring‐fused formation.
Low system justification is associated with support for both progressive and reactionary social change
Authors: Liekefett Luisa , Becker Julia C. 
Published: September 2022

AbstractTraditional definitions of political ideology state that right‐wingers support system stability, whereas left‐wingers support social change. However, during the last decade many right‐wing movements have been on the rise and demanded far‐reaching changes. We argue that both left‐, and right‐wing protestors reject the status quo, and are motivated to change it – albeit in opposing directions: either to increase equality (progressive social change), or inequality (reactionary social change). In two studies (NStudy1 = 453, NStudy2 = 614), both left‐, and right‐wingers scored lower on system justification than moderates. Further, latent profile analyses showed that supporters of progressive social change were characterized by low system justification and left‐wing ideology, whereas supporters of reactionary social change were characterized by low system justification and right‐wing ideology. This indicates that right‐wingers do not necessarily support system stability – instead, they reject the status quo and promote change in the direction of greater inequality.
Moral psychology of nursing robots: Exploring the role of robots in dilemmas of patient autonomy
Authors: Laakasuo Michael , Palomäki Jussi , Kunnari Anton , Rauhala Sanna , Drosinou Marianna , Halonen Juho , Lehtonen Noora , Koverola Mika , Repo Marko , Sundvall Jukka , Visala Aku , Francis Kathryn B. 
Published: September 2022

AbstractArtificial intelligences (AIs) are widely used in tasks ranging from transportation to healthcare and military, but it is not yet known how people prefer them to act in ethically difficult situations. In five studies (an anthropological field study, n = 30, and four experiments, total n = 2150), we presented people with vignettes where a human or an advanced robot nurse is ordered by a doctor to forcefully medicate an unwilling patient. Participants were more accepting of a human nurse's than a robot nurse's forceful medication of the patient, and more accepting of (human or robot) nurses who respected patient autonomy rather than those that followed the orders to forcefully medicate (Study 2). The findings were robust against the perceived competence of the robot (Study 3), moral luck (whether the patient lived or died afterwards; Study 4), and command chain effects (Study 5; fully automated supervision or not). Thus, people prefer robots capable of disobeying orders in favour of abstract moral principles like valuing personal autonomy. Our studies fit in a new era in research, where moral psychological phenomena no longer reflect only interactions between people, but between people and autonomous AIs.