bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fused Bithiophene Imide Dimer‐Based n‐Type Polymers for High‐Performance Organic Electrochemical Transistors
Authors: Feng Kui , Shan Wentao , Ma Suxiang , Wu Ziang , Chen Jianhua , Guo Han , Liu Bin , Wang Junwei , Li Bangbang , Woo Han Young , Fabiano Simone , Huang Wei , Guo Xugang 
Published: September 2021

AbstractThe development of n‐type organic electrochemical transistors (OECTs) lags far behind their p‐type counterparts. In order to address this dilemma, we report here two new fused bithiophene imide dimer (f‐BTI2)‐based n‐type polymers with a branched methyl end‐capped glycol side chain, which exhibit good solubility, low‐lying LUMO energy levels, favorable polymer chain orientation, and efficient ion transport property, thus yielding a remarkable OECT electron mobility (μe) of up to ≈10−2 cm2 V−1 s−1 and volumetric capacitance (C*) as high as 443 F cm−3, simultaneously. As a result, the f‐BTI2TEG‐FT‐based OECTs deliver a record‐high maximum geometry‐normalized transconductance of 4.60 S cm−1 and a maximum μC* product of 15.2 F cm−1 V−1 s−1. The μC* figure of merit is more than one order of magnitude higher than that of the state‐of‐the‐art n‐type OECTs. The emergence of f‐BTI2TEG‐FT brings a new paradigm for developing high‐performance n‐type polymers for low‐power OECT applications.
Application of Relaxation Dispersion of Hyperpolarized 13C Spins to Protein–Ligand Binding
Authors: Qi Chang , Wang Yunyi , Hilty Christian 
Published: September 2021

AbstractNuclear spin relaxation dispersion parameters are proposed as indicators of the binding mode of a ligand to a protein. Hyperpolarization by dissolution dynamic nuclear polarization (D‐DNP) provided a 13C signal enhancement between 3000–6000 for the ligand 4‐(trifluoromethyl) benzene‐1‐carboximidamide binding to trypsin. The measurement of 13C R2 relaxation dispersion was enabled without isotope enrichment, using a series of single‐scan Carr–Purcell–Meiboom–Gill experiments with variable refocusing delays. The magnitude in dispersion for the spins of the ligand is correlated to the position with respect to the salt bridge between protein and the amidine group of the ligand, indicating the ligand binding orientation. Hyperpolarized relaxation dispersion is an alternative to chemical shift or NOE measurements for determining ligand binding modes.
The Anionic Pathway in the Nickel‐Catalysed Cross‐Coupling of Aryl Ethers
Authors: Borys Andryj M. , Hevia Eva 
Published: September 2021

AbstractThe Ni‐catalysed cross‐coupling of aryl ethers is a powerful method to forge new C−C and C−heteroatom bonds. However, the inert C(sp2)−O bond means that a canonical mechanism that relies on the oxidative addition of the aryl ether to a Ni0 centre is thermodynamically and kinetically unfavourable, which suggests that alternative mechanisms may be involved. Here, we provide spectroscopic and structural insights into the anionic pathway, which relies on the formation of electron‐rich hetero‐bimetallic nickelates by adding organometallic nucleophiles to a Ni0 centre. Assessing the rich co‐complexation chemistry between Ni(COD)2 and PhLi has led to the structures and solution‐state chemistry of a diverse family of catalytically competent lithium nickelates being unveiled. In addition, we demonstrate dramatic solvent and donor effects, which suggest that the cooperative activation of the aryl ether substrate by Ni0‐ate complexes plays a key role in the catalytic cycle.
Double‐network polyvinyl alcohol composite hydrogel with self‐healing and low friction
Authors: Zhang Zhouqiang , Ye Zishuo , Hu Feng , Wang Wenbo , Zhang Shoujing , Gao Li , Lu Hailin 
Published: September 2021

AbstractPolyvinyl alcohol (PVA) hydrogel is considered the most promising candidate for artificial cartilage because of its good lubricity and low permeability. However, the efficacy of single‐network PVA hydrogels under variable loads has not yet been determined. In this study, a one‐step physical‐cross‐linking method was used to compose PVA/PEG double‐network composite hydrogels. We changed the polyethylene glycol (PEG) content of the composite gel and tested the frictional‐wear performance under different loads and speeds. With the mass fraction of PEG at 30 wt.%, the hardness of the PVA/PEG composite gel increased to 167.7% that of pure PVA. Under dry‐friction conditions, the average coefficient of friction was approximately 0.14 and the wear rate on the surface of the hydrogel was insignificant. The cross‐linking between PVA and PEG greatly enhanced the stability of the composite hydrogel polymer network. The structure of the composite gel was analyzed by a variety of standard methods. The hydrogel has excellent biocompatibility and self‐healing ability and is a self‐lubricating, self‐healing candidate material for articular‐cartilage repair.
Preparation and characterization of polyaniline microcapsule loaded with 2,2′‐azobis(2‐methylpropionitrile) initiator and its controlled release
Authors: Zhang Qifan , Zuo Mingming , Wang Yu , Liu Weiwei , Zuo Xiaobing 
Published: September 2021

AbstractThe thermal curing of acrylate adhesive consisting of acrylate monomer or prepolymer and 2,2′‐azobis(2‐methylpropionitrile) (AIBN) initiator is quite common. However, the two‐component adhesive is not suitable for large areas, large gap bonding, or potting because of its fast‐curing speed and intense heat release. To solve these problems, microencapsulating the initiator AIBN in the adhesive and controlling its release is proposed. Here, a new series of polyaniline microcapsules loaded with AIBN for the preparation of delayed‐release initiator were synthesized via an emulsification‐polymerization method. The coumarone indene resins were doped in polyaniline to control the release of the encapsulated AIBN. The characterization results indicate that the coumarone indene resin had been successfully mixed into the microcapsule polyaniline shell, and the interior of the microcapsules doped with resin had a rich pore structure. When a Span 80 and Tween 80 composite emulsifying system was used and its concentration was controlled at 0.1%–1.0%, the resulting microcapsules were homogeneous with good dispersibility. The release of the microcapsule was slow, and the release rate and release time could be precisely controlled by adjusting the type and doping amount of coumarone indene resin in the microcapsule shell material as well as the external temperature. For example, when the doping amount of coumarone indene resins in the PANI shell material increased from 0.2 to 1.0 g or when the temperature ranges from 75to 85°C, the release time of AIBN from the microcapsule decreased from 9 to 2 h and 12 to 3 h, respectively. With increasing demands for high performance delayed‐release initiators, the prepared polyaniline microcapsules loaded with AIBN show great potential for practical applications in adhesive, self‐healing coating, and petroleum exploitation.
Design, synthesis, and α‐glucosidase‐inhibitory activity of phenoxy‐biscoumarin–N‐phenylacetamide hybrids
Authors: Ansari Samira , Azizian Homa , Pedrood Keyvan , Yavari Ali , Mojtabavi Somayeh , Faramarzi Mohammad A. , Golshani Shiva , Hosseini Samanesadat , Biglar Mahmood , Larijani Bagher , Rastegar Hossein , Hamedifar Haleh , Mohammadi‐Khanaposhtani Maryam , Mahdavi Mohammad 
Published: September 2021

AbstractThirteen new phenoxy‐biscoumarin–N‐phenylacetamide derivatives (7a–m) were designed based on a molecular hybridization approach as new α‐glucosidase inhibitors. These compounds were synthesized with high yields and evaluated in vitro for their inhibitory activity against yeast α‐glucosidase. The obtained results revealed that a significant proportion of the synthesized compounds showed considerable α‐glucosidase‐inhibitory activity in comparison to acarbose as a positive control. Representatively, 2‐(4‐(bis(4‐hydroxy‐2‐oxo‐2H‐chromen‐3‐yl)methyl)phenoxy)‐N‐(4‐bromophenyl)acetamide (7f), with IC50 = 41.73 ± 0.38 µM against α‐glucosidase, was around 18 times more potent than acarbose (IC50 = 750.0 ± 10.0 µM). This compound was a competitive α‐glucosidase inhibitor. Molecular modeling and dynamic simulation of these compounds confirmed the obtained results through in vitro experiments. Prediction of the druglikeness/ADME/toxicity of the compound7fand comparison with the standard drug acarbose showed that the new compound7fwas probably better than the standard drug in terms of toxicity.
Kundige inlanders – Indigenous Contributions to Jacob Breyne's (1637–1697) Work
Authors: Gehrke Louisa‐Dorothea 
Published: September 2021

AbstractDuring the seventeenth century, the Dutch East India Company employees often made it their task to collect rare exotic plants in the colonies that reachlied the botanical gardens in their native country and from there, the rest of the world. One of them was Willem ten Rhijne, a doctor and botanist, who acquired plants not only for the garden in Amsterdam but also for the scientist Jacob Breyne, a citizen of Gdańsk. A fracture of their correspondence is kept in the Gotha research library, encompassing five letters from Ten Rhijne, written between 1680 and 1686. Those documents draw attention to the titular kundige inlanders, indigenous experts on botany. Analyzing these documents, this article argues that indigenous scientific systems influenced the works of Breyne to a retraceable extent but also emphasizes that their impact was heavily mediated by his and Ten Rhijne's understanding of themselves as European scientists and the latter's association with the company.
Organizational use of ecosystem service approaches: A critique from a systems theory perspective
Authors: Small Angela , Owen Alice , Paavola Jouni 
Published: September 2021

AbstractAlthough corporate sustainability theory is well established, there is limited research on the use and understanding of the ecosystem service (ES) approaches based on an advanced conceptualization of the environment in organizational practice. This article analyzes the use of ES approaches in organizations using a system theory lens, conducting empirical research on the contribution of ES approaches to corporate environmental management. Drawing from 30 semistructured interviews with ES practitioners from private, policy, and third sector organizations, we find that ES approaches provide practitioners with an advanced understanding of the environment as a system, the interconnections between the organization and the environment, and a better awareness of temporal and physical attributes of the environment. Overemphasis on ecological systems, limited acknowledgment of the nesting of the social system within the ecological system, and limited detailed practitioner knowledge are barriers for advancing the use of the ES approaches in corporate sustainability practice.
Mushroom Species Stereum hirsutum as Natural Source of Phenolics and Fatty Acids as Antioxidants and Acetylcholinesterase Inhibitors
Authors: Mišković Jovana , Rašeta Milena , Čapelja Eleonora , Krsmanović Nenad , Novaković Aleksandra , Janjusevic Ljiljana , Karaman Maja 
Published: September 2021

AbstractMany lignicolous mushroom species are used as a food supplement and may represent an alternative treatment of Alzheimer's disease (AD). This study aimed to evaluate acetylcholinesterase inhibition (AChEI) of Stereum hirsutum together with antioxidant activity (AO) and cytotoxic activity against HepG2 cells. Different extracts (water, ethanol, methanol, polysaccharide) were analyzed, with respect to their mineral composition and chemical content.Ethanol extract was the most potent in AChEI (98.44 %) and demonstrated cytotoxic activity (91.96 % at 900.00 μg/mL), while the highest AO was demonstrated for polar extracts (methanol and water) as well. These activities may be attributed to determined phenolics (hydroxybenzoic and quinic acid) and fatty acids (FA), while biflavonoid amentoflavone may be responsible for cytotoxic activity. The most prevalent FA was linoleic (40.00 %) and the domination of unsaturated FA (UFA) (71.91 %) over saturated (26.96 %) was observed.This is the first report of AChEI of S. hirsutum extracts and first detection of amentoflavone. Due to high amount of UFA and well‐expressed AChEI, this species can be considered as a potent food supplement in the palliative therapy of AD.
Solution Structure and Acid‐Base Properties of Reduced α‐Conotoxin MI
Authors: Faragó Zoltán , Mirzahosseini Arash , Horváth Dániel , Pálla Tamás , Horváth Péter , Perczel András , Noszál Béla 
Published: September 2021

AbstractThe reduced derivative of α‐conotoxin MI, a 14 amino acid peptide is characterized by NMR‐pH titrations and molecular dynamics simulations to determine the protonation constants of the nine basic moieties, including four cysteine thiolates, and the charge‐dependent structural properties. The peptide conformation at various protonation states was determined. The results show that the disulfide motifs in the native globular α‐conotoxin MI occur between those cysteine moieties that exhibit the most similar thiolate basicities. Since the basicity of thiolates correlates to its redox potential, this phenomenon can be explained by the higher reactivity of the two thiolates with higher basicities. The folding of the oxidized peptide is further facilitated by the loop‐like structure of the reduced form, which brings the thiolate groups into sufficient proximity. The 9 group‐specific protonation constants and the related, charge‐dependent, species‐specific peptide structures are presented.
Direct Conversion of Hydrazones to Amines using Transaminases
Authors: Carter Eve M. , Subrizi Fabiana , Ward John M. , Sheppard Tom D. , Hailes Helen C. 
Published: September 2021

AbstractTransaminase enzymes (TAms) have been widely used for the amination of aldehydes and ketones, often resulting in optically pure products. In this work, transaminases were directly reacted with hydrazones in a novel approach to form amine products. Several substrates were investigated, including those with furan and phenyl moieties. It was determined that the amine yields increased when an additional electrophile was added to the reaction mixture, suggesting that they can sequester the hydrazine released in the reaction. Pyridoxal 5’‐phosphate (PLP), a cofactor for transaminases, and polyethylene glycol (PEG)‐aldehydes were both found to increase the yield of amine formed. Notably, the amination of (S)‐(−)‐1‐amino‐2‐(methoxymethyl)pyrrolidine (SAMP) hydrazones gave promising results as a method to form chiral β‐substituted amines in good yield.
Numerical analysis of steel double side joints with flush and extended end plate under accidental situation
Authors: Damian Kukla , Aleksander Kozłowski , Tomasz Siwowski 
Published: September 2021

AbstractColumn loss is one of the accidental situations used to simulate extreme event during robustness analysis. Joints in steel framed structures play the main role in load transfer not only in persistent design situation but also in accidental design situation. According to EN 1991‐1‐7 joints should demonstrate sufficient ductility for absorbing significant strain energy without rupture, to allow developing transfer of actions by alternative load paths following an accidental event. To study the behavior of semi‐rigid steel joints numerical analysis of double side bolted end‐plate joints were conducted. End plate joints with flush and extended plate were analyzed. 3D numerical models based on finite element method using Abaqus software were created. Monotonic vertical loading at the top of column was applied. Geometrical and material non‐linearity were included in the model. Models of specimens were validated with previously made own experimental tests. The main aim of the study was to check ability of investigated joints to create catenary action, estimation of tying forcers in the joints and determine available rotation capacity of the connections. In the future, numerical models will be used for further parametric analysis.
Assembling bolted joints under water: influence of a surrounding medium on bolt preload and slip factor
Authors: Ripsch Benjamin , Henkel Knuth‐Michael 
Published: September 2021

AbstractDue to recent failures of high‐strength steel bolts that were assembled in the splash zone and the submerged zone of offshore structures, the applicability of European steel construction standards regarding subsea use was investigated. It was found, that Eurocode 3 and EN 1090‐2 do not cover specific requirements for the installation of bolts under water. The influence of water on tightening, bolt preload and slip factor of faying surfaces were examined using special testing equipment. Different tightening me‐thods and alternative washer systems were applied. Lubrication of bolts used according to the standards mentioned does not seem suitable for underwater application. Self‐loosening and bolt overload are potential risks that come with under water installation of corresponding bolt assemblies. Design surface class of faying surfaces could be verified under water, but failure behavior was different when tested under water compared to regular testing conditions.
Advanced fatigue verification method for record breaking bridges
Authors: Bjærre Simon , S⊘rensen Jesper W. , Polk Henrik 
Published: September 2021

AbstractDesigning and reviewing suspension bridges with world record breaking main spans in countries like Turkey, China and Norway requires a new and advanced method for fatigue verification. COWI's in‐house software IBDAS (Integrated Bridge Design and Analysis System) is used to perform the full fatigue verification including load modelling, finite element modelling, stress history analysis and damage evaluation based on the damage accumulation method. Discussions of boundary conditions are avoided by utilizing a global IBDAS beam model for the overall static system. A few segments of the girder in the global model are replaced by a semi‐local shell model in which a fine local shell model with all local geometry is placed at the location of interest. Fatigue data points used for verification are defined in the local model, typically based on hot‐spot extrapolation methods. In IBDAS, the extrapolation can be defined whereby the fatigue data point stress histories can be used directly for fatigue evaluation with the reservoir cycle counting method. Hereby, time‐consuming bookkeeping of FE node output is avoided. This paper presents technical aspects of the fatigue verification method used for the latest suspension bridge designs including the advantages of utilizing a fully integrated system.
Torsional behaviour of thin‐walled members with regular perforation systems
Authors: Bernuzzi Claudio , Montanino Andrea , Simoncelli Marco 
Published: September 2021

AbstractThin‐walled cold‐formed (TWCF) steel members that are frequently used in steel storage rack systems generally present a monosymmetric cross‐section. The adopted design approaches derive strictly from those developed for the more traditional bisymmetric solid web members, despite i) the presence in rack components of the eccentricity between the shear center and the cross‐section centroid and ii) the regular perforation systems.The paper is addressed to the torsional response of TWCF members used for the vertical elements (uprights) in storage racks, which present regular perforation systems currently neglected in routine design. Attention is focused on the evaluation of the warping constant, which reflects directly in the distribution of the normal stresses associated with the bimoment. The approach considered by the future rack design code is discussed and a refined model based on the theory of elasticity is proposed to account for the sequence of solid and perforated cross‐sections along the longitudinal axis of the member. The proposed numerical applications are related to two different cross‐sections and the discussed research outcomes allow for an appraisal of the errors associated with a warping constant defined by neglecting the presence of regular perforation systems.
Investigations of initial imperfections of steel scaffold structures
Authors: Mercier Charlotte , Khelil Abdelouahab , Mahmoud Firas Al , Blin‐Lacroix Jean‐Luc , Pamies Alain 
Published: September 2021

AbstractAnalysis and design of structures sensitive to second order effects require to take into account initial imperfections. Scaffold structures, due to their low rigidity, are very sensitive to second order effects. The accuracy of the design of such structures is based in part on the estimation of initial imperfections affecting the structure. In the 60s, the C.E.C.M., the European Convention of Steel Construction, has launched a test campaign to determine the degree of initial imperfections of each type of cross‐section. Five buckling curves have been established. The European design code for steel structures, Eurocode 3 Part 1‐1, classifies cold‐formed hollow tubular sections among sections with many imperfections, i.e. curve ‘c'. A test campaign has launched to analyse the experimental buckling curve behaviour of cold‐formed hollow sections of scaffold structures. Nineteen buckling tests on simply supported members and nine buckling tests on scaffolding ladders, from various European suppliers, have been carried out. Statistical studies of the experimental results highlight that the estimation of the initial imperfection currently defined for the cold‐formed tubular sections is far too penalizing for the sections used in the field of scaffolds.
Investigations on the influence of cold‐forming and associated residual stresses on the fatigue strength of thin‐walled details
Authors: Geers Thorben , Hoffmeister Benno , Heinemeyer Christoph 
Published: September 2021

AbstractA code for the design of cold‐formed thin‐walled structures in accordance with fatigue requirements currently does not exist in Europe. Part 1993‐1‐3 of the Eurocode [1] only standardizes the static design. In part 1993‐1‐9 [2] for design and construction under fatigue loads cold‐formed thin‐walled profiles are explicitly excluded. Corresponding elements have, however, become established in the construction of racking systems, as they represent an efficient and economical way of creating storage capacities. In contrast to the former use of storage systems, manual retrieval and storage (S/R), increasing automation through S/R‐machines leads to cyclical loads in uprights and struts. In addition to purely static loads, this results in a dynamic component that cannot be neglected.Experimental investigations, such as monotonic and cyclic tensile tests, are used to determine changes in material properties after cold‐forming by bending. Special focus is put on the influence of bending radii in combination with the thickness on the plastic deformation and associated internal residual stresses. These parameters can have a significant impact on the fatigue behavior. The aim of the tests with a new invented testing device is to provide a basis for the development of adequate fatigue design rules for storage systems.