bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rheological Characterization ofN‐VinylPyrrolidone andN‐VinylCaprolactam‐Based Polymers
Authors: Ozkan Seher , McMullen Roger L. 
Published: June 2021

AbstractThis chapter discusses the rheology of linear and crosslinked polymers based on N‐vinylpyrrolidone and N‐vinylcaprolactam in different physical states, such as dilute solution, complex fluid, or molten fluid. A review of the basic concepts of rheology starting with the development of the Boltzman superposition principle is followed by an in‐depth discussion of linear viscoelasticity. The chapter introduces the concepts related to rheological models of viscoelasticity and how these relate to the dynamics of polymer systems. The basic definition of rheology is the science of flow and deformation of matter. Developments in computational rheology have improved the accuracy of both continuum mechanics and molecular dynamics‐based model predictions. Poly(vinyl pyrolidone) has also been evaluated as a rheology modifier and as an additive to generate porosity in electrospun nanofiber technology for tissue regeneration. Rheological characterization was conducted using a parallel plate rheometer at ambient conditions.
Antimicrobial Properties and Applications of Pyrrolidone and Caprolactam‐Based Materials
Authors: Winkowski Karen , Turovskiy Yevgeniy 
Published: June 2021

AbstractThe lactam ring is a core structure in a large number of natural and synthetic compounds, many of which have antimicrobial and other biological activities. This chapter focuses on small molecules that contain pyrrolidone and caprolactam moieties as well as pyrrolidone‐based polymers that exhibit antimicrobial activity. Membrane‐active antimicrobials disrupt the normal function of the cell membrane, leading to changes in membrane permeability, leaking of intracellular material, osmotic lysis, and inhibition of membrane associated metabolism. The antimicrobial effect of electrophiles results from their interaction with nucleophilic components of microbial cells. Polymeric materials with antimicrobial properties represent another class of antimicrobials whose use has been increasing in recent years. Microbial biofilms are commonly described as a surface‐attached assembly of cells imbedded in a three‐dimensional matrix. The γ‐lactam‐ and caprolactam‐containing molecules and polymers offer unique physicochemical properties that can be exploited to deliver alternative antimicrobial strategies to mitigate the crisis.
Application of Pyrrolidone‐ and Caprolactam‐Based Materials in the Digital Age
Authors: Hood David K. 
Published: June 2021

AbstractThis chapter seeks to inform the reader as to how pyrrolidone‐ and caprolactam‐based materials have enabled certain key elements of the individual‐centered economy, in terms of product conceptualization, development, and implementation. Perhaps the most critical feature of the typical inkjet printer is the printing head. The printing head is the device that enables a jet of ink, or in most cases many jets of ink, to be specifically deposited upon a substrate surface. There are a variety of low molecular weight, solvent‐type materials based upon pyrrolidone and caprolactam polymers that are suitable for inkjet ink applications. A key component to the success of such an inkjet pharmaceutical drug delivery approach is to determine the therapeutic viability of the technique. An evolutionary development of inkjet printing is Nanographic Printing. This printing method combines inkjet printing technologies with offset printing processes. Modern day electrophotographic printing processes can produce high‐quality images and high speeds.
Maximizing the Catalytic Performance of Pd@AuxPd1−x Nanocubes in H2O2 Production by Reducing Shell Thickness to Increase Compositional Stability
Authors: Zhang Yu , Lyu Zhiheng , Chen Zitao , Zhu Shangqian , Shi Yifeng , Chen Ruhui , Xie Minghao , Yao Yao , Chi Miaofang , Shao Minhua , Xia Younan 
Published: June 2021

AbstractWe report a simple route based upon seed‐mediated growth to the synthesis of Pd@AuxPd1−x (0.8≤x≤1) core–shell nanocubes. Benefiting from the well‐defined {100} facets and an optimal Au/Pd ratio for the surface, the nanocubes bearing a shell made of Au0.95Pd0.05 work as an efficient electrocatalyst toward H2O2 production, with high selectivity of 93–100 % in the low‐overpotential region of 0.4–0.7 V. When the Au0.95Pd0.05 alloy is confined to a shell of only three atomic layers in thickness, the electrocatalyst is able to maintain its surface structure and elemental composition, endowing continuous and stable production of H2O2 during oxygen reduction at a high rate of 1.62 mol g(Pd+Au)−1 h−1. This work demonstrates a versatile route to the rational development of active and durable electrocatalysts based upon alloy nanocrystals.
Einlagerung und Abtrennung von SO2‐Spuren in Metall‐organischen Gerüstverbindungen durch präsynthetische Anpassung der Porenumgebung mit Methylgruppen
Authors: Xing Shanghua , Liang Jun , Brandt Philipp , Schäfer Felix , Nuhnen Alexander , Heinen Tobias , Boldog Istvan , Möllmer Jens , Lange Marcus , Weingart Oliver , Janiak Christoph 
Published: June 2021

AbstractWir berichten über eine präsynthetische Porenumgebungs‐Design‐Strategie zur Herstellung stabiler Methyl‐funktionalisierter Metall‐organischer Gerüstverbindungen (MOFs) für eine bevorzugte SO2‐Bindung und damit verbesserte SO2‐Adsorption bei niedrigem (Partial‐)Druck und SO2/CO2‐Trennung. Die verbesserte Sorptionsleistung wird erstmals auf eine optimale Porengröße durch Erhöhung der Methylgruppendichte am Benzoldicarboxylat‐Linker in [Ni2(BDC‐X)2DABCO] (BDC‐X=Mono‐, Di‐ und Tetramethyl‐1,4‐benzoldicarboxylat/Terephthalat; DABCO=1,4‐Diazabicyclo[2,2,2]octan) zurückgeführt. Monte‐Carlo‐Simulationen und Ab‐initio‐Dichtefunktionaltheorie(DFT)‐Berechnungen zeigen die Schlüsselrolle der Methylgruppen innerhalb der Porenoberfläche für die bevorzugte SO2‐Affinität gegenüber dem Stamm‐MOF. Das SO2‐Abtrennungspotential durch Methyl‐funktionalisierte MOFs wurde durch Gas‐Sorptionsisothermen, IAST‐Berechnungen, simulierte und experimentelle Durchbruchskurven und DFT‐Berechnungen validiert.
Entdeckung neuer bakterieller Chalconisomerasen durch eine Sequenz‐Struktur‐Funktions‐Evolutions‐Strategie für die enzymatische Synthese von (S)‐Flavanonen
Authors: Meinert Hannes , Yi Dong , Zirpel Bastian , Schuiten Eva , Geißler Torsten , Gross Egon , Brückner Stephan I. , Hartmann Beate , Röttger Carsten , Ley Jakob P. , Bornscheuer Uwe T. 
Published: June 2021

AbstractDie Chalconisomerase (CHI) ist ein Schlüsselenzym in der Biosynthese von Flavonoiden in Pflanzen. Die erste bakterielle CHI (CHIera) wurde in Eubacterium ramulus identifiziert, aber Häufigkeit, evolutionärer Ursprung, Substratspektrum und Stereoselektivität sind bislang unklar. Hier beschreiben wir die Identifizierung von 66 neuen bakteriellen CHIs in Genbank durch eine neuartige Sequenz‐Struktur‐Funktions‐Evolutions (SSFE)‐Strategie. Diese neuen bakteriellen CHIs weisen ein breites Substratspektrum gegenüber einer Reihe hydroxylierter und methoxylierter Chalcone auf. Die Mutagenese der CHIera, basierend auf einem Substratbindemodell dieser neuen bakteriellen CHIs, resultierte in mehreren Varianten mit deutlich verbesserter Aktivität gegenüber diesen Chalconen. Zusätzlich wurden präparative Reaktionen mit diesen bakteriellen CHIs für fünf Chalcone durchgeführt, die (S)‐Selektivität mit bis zu 96 % ee ergaben. Dies ermöglicht eine alternative biokatalytische Route zur Synthese von (S)‐Flavanonen in hohen Ausbeuten.
Discovery of Novel Bacterial Chalcone Isomerases by a Sequence‐Structure‐Function‐Evolution Strategy for Enzymatic Synthesis of (S)‐Flavanones
Authors: Meinert Hannes , Yi Dong , Zirpel Bastian , Schuiten Eva , Geißler Torsten , Gross Egon , Brückner Stephan I. , Hartmann Beate , Röttger Carsten , Ley Jakob P. , Bornscheuer Uwe T. 
Published: June 2021

AbstractChalcone isomerase (CHI) is a key enzyme in the biosynthesis of flavonoids in plants. The first bacterial CHI (CHIera) was identified from Eubacterium ramulus, but its distribution, evolutionary source, substrate scope, and stereoselectivity are still unclear. Here, we describe the identification of 66 novel bacterial CHIs from Genbank using a novel Sequence‐Structure‐Function‐Evolution (SSFE) strategy. These novel bacterial CHIs show diversity in substrate specificity towards various hydroxylated and methoxylated chalcones. The mutagenesis of CHIera according to the substrate binding models of these novel bacterial CHIs resulted in several variants with greatly improved activity towards these chalcones. Furthermore, the preparative scale conversion catalyzed by bacterial CHIs has been performed for five chalcones and revealed (S)‐selectivity with up to 96 % ee, which provides an alternative biocatalytic route for the synthesis of (S)‐flavanones in high yields.
American College of Rheumatology Guidance for COVID‐19 Vaccination in Patients With Rheumatic and Musculoskeletal Diseases: Version 2
Authors: Curtis Jeffrey R. , Johnson Sindhu R. , Anthony Donald D. , Arasaratnam Reuben J. , Baden Lindsey R. , Bass Anne R. , Calabrese Cassandra , Gravallese Ellen M. , Harpaz Rafael , Kroger Andrew , Sadun Rebecca E. , Turner Amy S. , Williams Eleanor Anderson , Mikuls Ted R. 
Published: June 2021

ObjectiveTo provide guidance to rheumatology providers on the use of coronavirus disease 2019 (COVID‐19) vaccines for patients with rheumatic and musculoskeletal diseases (RMDs).MethodsA task force was assembled that included 9 rheumatologists/immunologists, 2 infectious disease specialists, and 2 public health physicians. After agreeing on scoping questions, an evidence report was created that summarized the published literature and publicly available data regarding COVID‐19 vaccine efficacy and safety, as well as literature for other vaccines in RMD patients. Task force members rated their agreement with draft consensus statements on a 9‐point numerical scoring system, using a modified Delphi process and the RAND/University of California Los Angeles Appropriateness Method, with refinement and iteration over 2 sessions. Consensus was determined based on the distribution of ratings.ResultsDespite a paucity of direct evidence, 74 draft guidance statements were developed by the task force and agreed upon with consensus to provide guidance for use of the COVID‐19 vaccines in RMD patients and to offer recommendations regarding the use and timing of immunomodulatory therapies around the time of vaccination.ConclusionThese guidance statements, made in the context of limited clinical data, are intended to provide direction to rheumatology health care providers on how to best use COVID‐19 vaccines and to facilitate implementation of vaccination strategies for RMD patients.
Understanding the (De)Sodiation Mechanisms in Na‐Based Batteries through Operando X‐ray Methods
Authors: Brennhagen Anders , Cavallo Carmen , Wragg David S. , Sottmann Jonas , Koposov Alexey Y. , Fjellvåg Helmer 
Published: June 2021

AbstractInvited for this month's cover picture is the review team led by Carmen Cavallo (University of Oslo). The cover picture shows a team of scientists performing operando studies on a sodium battery, as if it were a real patient in a hospital. Operando X‐ray methodologies deliver valuable information about the structural, atomistic, and morphological changes while the battery is actually in its working state. Read the full text of the Review at 10.1002/batt.202000294.
Effects of Ultrashort Wave Therapy on Inflammation and Macrophage Polarization after Acute Lung Injury in Rats
Authors: Li Lan , Qu Mengjian , Yang Lu , Liu Jing , Wang Qian , Zhong Peirui , Zeng Yahua , Wang Ting , Xiao Hao , Liu Danni , Huang Xiarong , Wang Jinling , Zhou Jun 
Published: June 2021

Acute lung injury (ALI) features dysregulated pulmonary inflammation. Ultrashort waves (USWs) exert anti‐inflammatory effects but no studies have evaluated their activity in ALI. Herein, we used an in vivo lipopolysaccharide (LPS)‐induced ALI model to investigate whether the anti‐inflammatory activity of USWs is mediated by altering the polarization of M1 to M2 macrophages. Twenty‐four male Sprague–Dawley rats were randomly divided into control, untreated ALI, and ALI treated with USW groups (n = 8 in each group). ALI was induced by intratracheal LPS instillation. Rats in the USW group were treated for 15 min at 0, 4, and 8 h after a single LPS intratracheal instillation. Histopathologic examination, wet/dry lung weight ratio, enzyme‐linked immunosorbent assay, quantitative real‐time polymerase chain reaction, and western blot analyses were performed to evaluate the degree of lung injury and to determine macrophage phenotypes. Histopathologic examination disclosed attenuation of ALI, with reduced alveolar hemorrhage and neutrophilic infiltration in the USW group. Serum levels of tumor necrosis factor‐α (TNF‐α) and interleukin‐1β (IL‐1β) were significantly decreased after USW therapy. Moreover, the messenger RNA (mRNA) expressions of TNF‐α and IL‐1β were significantly decreased in the USW group, whereas the mRNA expression of Arginase 1 (Arg1) and the protein expression of mannose receptor significantly increased in comparison with the untreated ALI group. We conclude that USW therapy may attenuate inflammation in LPS‐induced ALI through the modulation of macrophage polarization. © 2021 Bioelectromagnetics Society.
Haptics and brands: The effect of touch on product evaluation of branded products
Authors: Karangi Sheena W. , Lowe Ben 
Published: June 2021

AbstractThis research provides insight into how touch effects differ by brand familiarity and brand status. Using schema theory and contagion theory, hypotheses were tested in two between subject experiments. A sweater and pillowcase served as product stimuli and consumers were exposed to a known and unknown brand for the brand stimuli. Findings provide support for a brand contagion effect where a luxury branded product is concerned and suggest that this effect is activated through product touch. Interestingly, brand familiarity did not seem to influence the relationship between touch and product evaluation. This paper finds brand status to be a moderator of touch effects on product evaluation while brand familiarity is not. Additionally, a brand contagion effect activated through product touch is shown. The results of this paper provide insight for marketers and retailers regarding marketing strategies for different levels of the product life cycle (where familiarity differs), brand extension strategies (where familiarity and brand status may differ) and, most crucially, design of in‐store layout and product displays. It advances knowledge in the field of sensory marketing by integrating and conceptualizing previously unexplored relationships between three key areas of literature, namely product touch, brand familiarity, and brand status.
Facilitating Pt−WOx Species Interaction for Efficient Glycerol Hydrogenolysis to 1,3‐Propanediol
Authors: Zhao Binbin , Liang Yu , Liu Lei , He Qian , Dong Jin‐Xiang 
Published: June 2021

AbstractDesigning efficient catalysts for glycerol hydrogenolysis to 1,3‐propanediol (1,3‐PDO), which involves the selective cleavage of the secondary C−O bond, is a challenging task. Current Pt−WOx‐based catalysts often provide low atom efficiency of W and Pt toward 1,3‐PDO production due to undesired catalyst structures. Herein, we fabricate the highly‐dispersed substantially uniform WOx species on inert α‐Al2O3 support by simple high‐temperature heat‐treatment, and the amount of Pt−WOx interface active sites could be adjusted by Pt loading, showing an excellent catalytic performance in glycerol hydrogenolysis at high concentration of glycerol, especially the unprecedented W efficiency (76 g1,3‐PDOgW−1 h−1) toward 1,3‐PDO. The high catalytic efficiency is attributed to the strong interaction between the isolated WO4 species and platinum, which could in‐situ generate the Brønsted acid sites during the reaction as evidenced by IR analysis with NH3 adsorption.
Uncovering the Hidden Landscape of Tris(4‐pyridyl) Ligands: Topological Complexity Derived from the Bridgehead
Authors: Waters Jessica E. , Berger Georg , Peel Andrew J. , García‐Rodríguez Raúl , Bond Andrew D. , Wright Dominic S. 
Published: June 2021

AbstractSupramolecular main group chemistry is a developing field which parallels the conventional domain of metallo‐organic chemistry. Little explored building blocks in this area are main group metal‐based ligands which have the appropriate donor symmetry to build desired molecular or extended arrangements. Tris(pyridyl) main group ligands (E(py)3, E=main group metal) are potentially highly versatile building blocks since shifting the N‐donor arms from the 2‐ to the 3‐positions and 4‐positions provides a very simple way of changing the ligand character from mononuclear/chelating to multidentate/metal‐bridging. Here, the coordination behaviour of the first main group metal tris(4‐pyridyl) ligands, E(4‐py)3 (E=Sb, Bi, Ph−Sn) is explored, as well as their ability to build metal‐organic frameworks (MOFs). The complicated topology of these MOFs shows a marked influence on the counter anion and on the ability of the E(4‐py)3 ligands to switch coordination mode, depending on the steric and donor character of the bridgehead. This structure‐directing influence of the bridgehead provides a potential building strategy for future molecular and MOF design in this area.
Anion Modulation of Pt‐Group Metals and Electrocatalysis Applications
Authors: Chen Ding , Zhu Jiawei , Pu Zonghua , Mu Shichun 
Published: June 2021

AbstractPt‐group metal (PGM) electrocatalysts with unique electronic structures and irreplaceable comprehensive properties play crucial roles in electrocatalysis. Anion engineering can create a series of PGM compounds (such as RuP2, IrP2, PtP2, RuB2, Ru2B3, RuS2, etc.) that provide a promising prospect for improving the electrocatalytic performance and use of Pt‐group noble metals. This review seeks the electrochemical activity origin of anion‐modulated PGM compounds, and systematically analyzes and summarizes their synthetic strategies and energy‐relevant applications in electrocatalysis. Orientation towards the sustainable development of nonfossil resources has stimulated a blossoming interest in the design of advanced electrocatalysts for clean energy conversion. The anion‐modulated strategy for Pt‐group metals (PGMs) by means of anion engineering possesses high flexibility to regulate the electronic structure, providing a promising prospect for constructing electrocatalysts with superior activity and stability to satisfy a future green electrochemical energy conversion system. Based on the previous work of our group and others, this review summarizes the up‐to‐date progress on anion‐modulated PGM compounds (such as RuP2, IrP2, PtP2, RuB2, Ru2B3, RuS2, etc.) in energy‐related electrocatalysis from the origin of their activity and synthetic strategies to electrochemical applications including hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), hydrogen oxidation reaction (HOR), N2reduction reaction (NRR), and CO2reduction reaction (CO2RR). At the end, the key problems, countermeasures and future development orientations of anion‐modulated PGM compounds toward electrocatalytic applications are proposed.
Moth eye‐inspired highly efficient, robust, and neutral‐colored semitransparent perovskite solar cells for building‐integrated photovoltaics
Authors: Zhu Yiyi , Shu Lei , Zhang Qianpeng , Zhu Yudong , Poddar Swapnadeep , Wang Chen , He Zhubing , Fan Zhiyong 
Published: June 2021

AbstractSemi‐transparent perovskite solar cells (ST‐PSCs) engendered enormous attention for practical applications such as power generation windows. However, it is still challenging to achieve high‐performance, robust and neutral‐colored ST‐PSCs. Herein we demonstrate a moth‐eye‐inspired structure (MEIS) for light‐trapping photons in the wavelength range where the human eye is less perceptive. This biomimetic structure contributes to the improvements in ST‐PSCs performance and visual appearance simultaneously. Consequently, a record high figure‐of‐merit for ST‐PSC, defined as the product of power conversion efficiency and the average visible transmittance, is achieved. Meanwhile, the optical appearance is converted to a desired near‐neutral color after introducing the MEIS. The investigation of ST‐PSCs with long‐term stability is implemented via engineering blend ratio of halides. The modified device exhibited appealing tolerance against moisture and solar irradiation. This work reveals an in‐depth understanding of light trapping along with modifying the visual appearance of solar cells.image
Adaptive and maladaptive expression plasticity underlying herbicide resistance in an agricultural weed
Authors: Josephs Emily B. , Van Etten Megan L. , Harkess Alex , Platts Adrian , Baucom Regina S. 
Published: June 2021

AbstractPlastic phenotypic responses to environmental change are common, yet we lack a clear understanding of the fitness consequences of these plastic responses. Here, we use the evolution of herbicide resistance in the common morning glory (Ipomoea purpurea) as a model for understanding the relative importance of adaptive and maladaptive gene expression responses to herbicide. Specifically, we compare leaf gene expression changes caused by herbicide to the expression changes that evolve in response to artificial selection for herbicide resistance. We identify a number of genes that show plastic and evolved responses to herbicide and find that for the majority of genes with both plastic and evolved responses, plastic responses appear to be adaptive. We also find that selection for herbicide response increases gene expression plasticity. Overall, these results show the importance of adaptive plasticity for herbicide resistance in a common weed and that expression changes in response to strong environmental change can be adaptive.Impact StatementPredicting whether and how organisms will adapt to environmental change is a crucial goal. However, this goal can be complicated because environmental change can alter traits, in a process called plasticity. The extent and fitness consequences of plasticity will have important effects on the adaptive process. In this study, we use adaptation to herbicide in the agricultural weed, the common morning glory, as a model for understanding the extent and fitness consequences of plasticity in gene expression. We find evidence that gene expression plasticity is adaptive in the presence of herbicide, suggesting that understanding plasticity is crucial for understanding how organisms adapt to new environments.