bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probing Particle‐Carbon/Binder Degradation Behavior in Fatigued Layered Cathode Materials through Machine Learning Aided Diffraction Tomography
Authors: Hua Weibo , Chen Jinniu , Ferreira Sanchez Dario , Schwarz Björn , Yang Yang , Senyshyn Anatoliy , Wu Zhenguo , Shen Chong‐Heng , Knapp Michael , Ehrenberg Helmut , Indris Sylvio , Guo Xiaodong , Ouyang Xiaoping 
Published: May 2024

AbstractUnderstanding how reaction heterogeneity impacts cathode materials during Li‐ion battery (LIB) electrochemical cycling is pivotal for unraveling their electrochemical performance. Yet, experimentally verifying these reactions has proven to be a challenge. To address this, we employed scanning μ‐XRD computed tomography to scrutinize Ni‐rich layered LiNi0.6Co0.2Mn0.2O2 (NCM622) and Li‐rich layered Li[Li0.2Ni0.2Mn0.6]O2 (LLNMO). By harnessing machine learning (ML) techniques, we scrutinized an extensive dataset of μ‐XRD patterns, about 100,000 patterns per slice, to unveil the spatial distribution of crystalline structure and microstrain. Our experimental findings unequivocally reveal the distinct behavior of these materials. NCM622 exhibits structural degradation and lattice strain intricately linked to the size of secondary particles. Smaller particles and the surface of larger particles in contact with the carbon/binder matrix experience intensified structural fatigue after long‐term cycling. Conversely, both the surface and bulk of LLNMO particles endure severe strain‐induced structural degradation during high‐voltage cycling, resulting in significant voltage decay and capacity fade. This work holds the potential to fine‐tune the microstructure of advanced layered materials and manipulate composite electrode construction in order to enhance the performance of LIBs and beyond.
Metal Ions Trigger the Gelation of Cysteine‐Containing Peptide‐Appended Coordination Cages
Authors: Li Meng , Zhu Huangtianzhi , Adorinni Simone , Xue Weichao , Heard Andrew , Garcia Ana M. , Kralj Slavko , Nitschke Jonathan R. , Marchesan Silvia 
Published: May 2024

AbstractWe report a series of coordination cages that incorporate peptide chains at their vertices, prepared through subcomponent self‐assembly. Three distinct heterochiral tripeptide subcomponents were incorporated, each exhibiting an L−D−L stereoconfiguration. Through this approach, we prepared and characterized three tetrahedral metal‐peptide cages that incorporate thiol and methylthio groups. The gelation of these cages was probed through the binding of additional metal ions, with the metal‐peptide cages acting as junctions, owing to the presence of sulfur atoms on the peripheral peptides. Gels were obtained with cages bearing cysteine at the C‐terminus. Our strategy for developing functional metal‐coordinated supramolecular gels with a modular design may result in the development of materials useful for chemical separations or drug delivery.
Axial Coordinated Manganese(III) Porphyrin/Tetraazaporphyrin – 4‐(10‐phenylanthracen‐9‐yl)Pyridine Dyads: Self‐Assembly, Structure and Spectral Properties in Ground and Excited States
Authors: Ovchenkova Ekaterina N. , Tsaturyan Arshak A. , Bichan Nataliya G. , Gruzdev Matvey S. , Kudryakova Nadezhda O. , Knyazev Pavel A. , Gostev Fedor E. , Nadtochenko Victor A. , Lomova Tatyana N. 
Published: May 2024

AbstractSelf‐assembly of new donor‐acceptor systems based on (5,10,15,20‐tetraphenylporphinato)manganese(III)/(5,10,15,20‐tetra‐4‐tert‐butylphenylporphinato)manganese(III)/(octakis(4‐tert‐butylphenyl)tetraazaporphinato)manganese(III) acetate ((AcO)MnTPP/(AcO)MnTBPP/(AcO)MnTAP) and 4‐(10‐phenylanthracen‐9‐yl)pyridine (PyAn) was studied using fluorescence spectroscopy and mass spectrometry. It was found that the coordination complexes of 1 : 1 composition (dyads) are formed in toluene. The spectral properties, the chemical structures and redox behavior of the dyads were described using 1H NMR, IR, ESR spectroscopy and cyclic voltammetry, respectively. The dynamic processes and the characteristics in the excited state of the dyads were obtained using the femtosecond transient absorption spectroscopy method. Density functional theory (DFT), time‐dependent DFT methods were used to elucidate the dyad electronic structures and to establish the differences in their frontier molecular orbitals. The analysis of the lambda parameter and the distance of hole‐pair interaction was indicated more favorable charge transfer between the macrocycle and the axial PyAn fragment in (AcO)(PyAn)MnTAP. The calculated values of the zero‐field splitting parameters D and E/D, together with the g tensors of the lowest spin‐orbit state for (AcO)MnTPP and (AcO)(PyAn)MnTPP were obtained using the combination of DFT and Multireference Perturbation Theory (CASSCF/NEVPT2) simulations. The data obtained develop the fundamental basis in the field of photovoltaics and show the prospects for the study of molecular systems of this class.
Stabilizing Bifurcated Hydrogen Bond in 8‐Aminoquinoline Appended Peptides
Authors: Shekhar Shashank , Meena Rachana , Lal Jhajan , Yadav Mukul , Kant Ruchir , Reddy Damodara N. 
Published: May 2024

AbstractThe hydrogen bonding interaction between an amide N−H and the amide N of the preceding residue is prevalent in proline‐containing proteins and peptides. However, the N−H⋅⋅⋅N hydrogen bonding interaction is rare in non‐prolyl natural peptides due to restricted dihedral angles. Herein, we stabilize this type of interaction in 8‐aminoquinoline appended non‐prolyl peptides through bifurcated N⋅⋅⋅H⋅⋅⋅N hydrogen bond. The 8‐aminoquinoline‐incorporated model peptides 2 a–i were designed, synthesized, and the crystal structures of 2 a–c and 2 i were solved. Analysis of crystal data reveals that the amide N−H of aminoquinoline is involved in bifurcated hydrogen bonding interaction with the nitrogen of the preceding amino acid residue and the nitrogen in quinoline. Analysis of crystal packing, Hirshfeld surface and fingerprint plots confirms that the intermolecular O⋅⋅⋅H contacts significantly contribute to stabilizing bifurcated N⋅⋅⋅H⋅⋅⋅N hydrogen bonding interaction. Furthermore, NMR experiments and CD spectroscopy were conducted to examine the preferred conformation in solution, and the data corroborate with the crystal structure conformation.
Synthesis of ɑ‐Aryl‐oxindoles via Grignard Reaction with Isatin in the Presence of Diphenyl Phosphite
Authors: Zhang Xinxin X. , Wang Pengkai K. , Zhang Songlin L. 
Published: May 2024

AbstractA protocol has been developed for the synthesis of α‐aryl‐oxindoles from isatin and Grignard reagents in the presence of diphenyl phosphite for the first time. This reaction was conveniently carried out under mild conditions in a one‐pot fashion with moderate to excellent yields.
Template Assisted Synthesis of Linear [5]Catenane by Post‐Functionalization of Templated [2]Catenane and Using Click Reaction
Authors: Podh Mana Bhanjan , Ratha Radhakrishna , Purohit Chandra Shekhar 
Published: May 2024

AbstractPolymers with all mechanically interlocked rings, such as linear [n]catenanes, have great potential as functional materials due to possible higher degrees of freedom that may contribute to their flexibility but remain elusive. All the synthetic methods used to prepare such a polymer yield mixtures of products. In the absence of higher molecular weight linear [n]catenanes, emphasis on synthesizing low molecular weight oligomers is being pursued. Here, we have described the synthesis of a linear [5]catenane by post‐functionalizing a Co(III) templated [2]catenane having a pyridine‐diamide unit free for further metal ion coordination. Two molecules were synthesized with suitable threading groups: one, two terminal azide groups, and two, with two terminal alkyne groups to form two [3]pseudorotaxane utilizing Co(III) coordination. These units were then joined, forming a macrocycle, using click reaction, giving the desired metalated linear [5]catenane in 40 % yield. Removal of metal ions leads to linear [5]catenane. In addition, the formation of linear [3] and [2]catenane are also observed. All synthesized structures have been isolated by column chromatographic technique and characterized by 1H‐NMR, 13C‐NMR, and mass spectroscopy.
Adaptive containment fault‐tolerant control for saturated nonlinear multiagent systems with multiple faults and periodic disturbances
Authors: Tang Li , Wang Huanqing , Niu Ben , Zhao Xudong 
Published: May 2024

AbstractThis paper addresses the problem of adaptive containment fault‐tolerant control for nonlinear multiagent systems with periodic disturbances. Different from most existing fault‐tolerant control schemes, the form of multiple faults is explicitly considered in this paper, including actuator faults and sensor faults. By combining the Fourier series expansion with neural networks, the unknown nonlinear dynamics subject to time‐dependent periodic disturbances are approximated. Then, the “complexity of explosion” issue that exists in traditional backstepping‐based results is avoided by introducing a first‐order sliding‐mode differentiator. It is proved that the developed containment control policies can ensure that all signals of the close‐loop systems are uniformly ultimately bounded, and all followers can converge to a convex area formed by multiple leaders. Simulation results verify the validity of the proposed scheme.
Visual social attention in SYNGAP1‐related intellectual disability
Authors: Wright Damien , Kenny Aisling , Eley Sarah , McKechanie Andrew G. , Stanfield Andrew C. 
Published: May 2024

AbstractSYNGAP1‐ID is a neurodevelopmental disorder caused by a mutation of the SYNGAP1 gene. Characterized by moderate to severe developmental delay, it is associated with several physical and behavioral issues as well as additional diagnoses, including autism. However, it is not known whether social cognitive differences seen in SYNGAP1‐ID are similar to those previously identified in idiopathic or other forms of autism. This study therefore investigated visual social attention in SYNGAP1‐ID. Eye movements were recorded across three passive viewing tasks (face scanning, pop‐out, and social preference) of differing social complexity in 24 individuals with SYNGAP1‐ID and 12 typically developing controls. We found that SYNGAP1‐ID participants looked at faces less than the controls, and when they did look at faces, they had less time looking at and fewer fixations to the eyes. For the pop‐out task, where social and nonsocial objects (Phone, car, face, bird, and face‐noise) were presented in an array, those with SYNGAP1‐ID spent significantly less time looking at the phone stimulus as well as fewer fixations to the face compared with the typically developing controls. When looking at two naturalistic scenes side by side, one social in nature (e.g., with children present) and the other not, there were no differences between the SYNGAP1‐ID group and typically developing controls on any of the examined eye tracking measures. This study provides novel findings on the social attention of those with SYNGAP1‐ID and helps to provide further evidence for using eye tracking as an objective measure of the social phenotype in this population in future clinical trials.
Modeling tropical tuna shifts: An inflated power logit regression approach
Authors: Queiroz Francisco F. , Ferrari Silvia L. P. 
Published: May 2024

AbstractWe introduce a new class of zero‐or‐one inflated power logit (IPL) regression models, which serve as a versatile tool for analyzing bounded continuous data with observations at a boundary. These models are applied to explore the effects of climate changes on the distribution of tropical tuna within the North Atlantic Ocean. Our findings suggest that our modeling approach is adequate and capable of handling the outliers in the data. It exhibited superior performance compared to rival models in both diagnostic analysis and regarding the inference robustness. We offer a user‐friendly method for fitting IPL regression models in practical applications.
Linking stakeholders need and sustainable business performance: Unleashing the power of shared value creation for competitive advantage—Study on selected banks in Ethiopia
Authors: Waktola Bekan Serbessa , Singh Manjit , Singh Sandeep 
Published: May 2024

AbstractIntegrating social and environmental considerations into business strategies has become imperative for companies seeking competitive advantage in today's dynamic and complex business environment. This study explored the effect of Shared Value Creation Practices on Competitive Advantage within banks. The study focused on how banks can achieve competitive advantage by creating shared value that addresses business goals and social needs. Data were collected from 463 customers of selected commercial banks in Ethiopia. The self‐administrative questionnaire was given to the customers selected by convenience sampling method. The study used the Structural Equation Model to test relationship between variables. The Study findings reveal that Shared Value Creation Practices significantly enhance banks' competitive advantage. The study suggests that banks can strategically leverage Shared Value Creation practices to gain a sustained advantage in a competitive market. Banks should continuously innovate and adapt strategies to address evolving stakeholders' needs. The banks should consider shared value creation integral to their strategic planning.
Using LanM Enzymes to Modify Glucagon‐Like Peptides 1 and 2 in E.coli
Authors: Larsen Camilla K. , Lindquist Peter , Rosenkilde Mette , Madsen Alice R. , Haselmann Kim , Glendorf Tine , Olesen Kjeld , Kodal Anne Louise B. , Tørring Thomas 
Published: May 2024

AbstractSelective modification of peptides is often exploited to improve pharmaceutically relevant properties of bioactive peptides like stability, circulation time, and potency. In Nature, natural products belonging to the class of ribosomally synthesized and post‐translationally modified peptides (RiPPs) are known to install a number of highly attractive modifications with high selectivity. These modifications are installed by enzymes guided to the peptide by corresponding leader peptides that are removed as the last step of biosynthesis. Here, we exploit leader peptides and their matching enzymes to investigate the installation of D‐Ala post‐translationally in a critical position in the hormones, glucagon‐like peptides (GLP) 1 and 2. We also offer insight into how precursor peptide design can modulate the modification pattern achieved.
Eutectogels as Promising Materials in Biocatalysis
Authors: Kumar Krishan , Calderón Marcelo , Beloqui Ana , Picchio Matias L. 
Published: May 2024

AbstractThe entrapment of deep eutectic solvents (DES) and eutectic systems into porous scaffolds renders a new class of soft and nonvolatile materials called eutectogels that have recently stepped into the spotlight in different areas ranging from electronics to drug delivery. Recent progress in the use of DES in biocatalysis, where they have been demonstrated to improve substrate supply, conversion, and enzyme stability, has opened an unparalleled opportunity to exploit the merits of eutectogels for immobilizing biological catalysts. The resulting functional materials could outperform traditional hydrogels and ionic liquid gels, offering fresh perspectives to broaden the application scope of many enzymes. In this perspective, we go into the potential of eutectogels as innovative scaffolds that support biocatalytic reactions and discuss different applications where these systems could show plain benefits compared to traditional materials. Future directions for this newly developed technology are highlighted.
Carbohydrate‐Functionalized Anthracene Carboximides as Multivalent Ligands and Bio‐Imaging Agents
Authors: George Anne , Jayaraman Narayanaswamy 
Published: May 2024

AbstractAnthracene carboximides (ACIs) conjugated with gluco‐, galacto‐ and mannopyranosides are synthesized, by glycosylation of N‐hydroxyethylanthracene carboximide acceptor with glycosyl donors. Glycoconjugation of anthracene carboximide increases the aq. solubility by more than 3‐fold. The glycoconjugates display red‐shifted absorption and emission, as compared to anthracene. Large Stokes shift (λabs/λem=445/525 nm) and high fluorescence quantum yields (Φ) of 0.86 and 0.5 occur in THF and water, respectively. The ACI‐glycosides undergo facile photodimerization in aqueous solutions, leading to the formation of the head‐to‐tail dimer, as a mixture of syn and anti‐isomers. Solution phase and solid‐state characterizations by dynamic light scattering (DLS), microscopic imaging by atomic force (AFM) and transmission electron (TEM) microscopies reveal self‐assembled vesicle structures of ACI glycosides. These self‐assembled structures act as multivalent glycoclusters for ligand‐specific lectin binding, as evidenced by the binding of Man‐ACI to Con A, by fluorescence and turbidity assays. The conjugates do not show cellular cytotoxicity (IC50) till concentrations of 50 μM with HeLa and HepG2 cell lines and are cell‐permeable, showing strong fluorescence inside the cells. These properties enable the glycoconjugates to be used in cell imaging. The non‐selective cellular uptake of the glycoconjugates suggests a passive diffusion through the membrane.
Poly(2‐Oxazoline) Amphiphilicity Tunes the Excited‐State Proton Transfer of Pyrenol‐Based Polyphotoacids
Authors: Chettri Avinash , Kaberov Leonid I. , Klosterhalfen Niklas , Perera Sandunika , Jamshied Mohammed , Schacher Felix H. , Dietzek‐Ivanšić Benjamin 
Published: May 2024

AbstractThe ability of light to change the properties of light‐responsive polymers opens avenues for targeted release of cargo with a high degree of spatial and temporal control. Recently, we established photoacid polymers as light‐switchable macromolecular amphiphiles. In these systems, light‐induced excited‐state proton transfer (ESPT) causes changes in amphilicity. However, as the intermolecular process itself critically depends on the local environment of the photoacid unit within the polymer, the overall amphiphilicity directly influences ESPT. Thus, understanding the impact of the local environment on the photophysics of photoacidic side chains is key to material design. In this contribution we address both thermodynamic and kinetic aspects of ESPT in oxazoline‐based amphiphilic polymers with pyrenol‐based photoacid side chains. We will compare the effect of polymer design, i. e. statistical and block arrangements, i. e. in poly[(2‐ethyl‐2‐oxazoline)‐co‐(1‐(6/8‐hydroxyperene)sulphonylaziridine)] and poly(2‐ethyl‐2‐oxazoline)‐block‐poly[(2‐ethyl‐2‐oxazoline)‐co‐(2‐(3‐(6‐hydroxypyrene)sulphonamide)propyl‐2‐oxazoline), on the intermolecular proton transfer reaction by combining steady‐state and time‐resolved absorption and emission spectroscopy. ESPT appears more prominent in the statistical copolymer compared to a block copolymer with overall similar pyrenol loading. We hypothesize that the difference is due to different local chain arrangements adopted by the polymers in the two cases.
Learning to cluster person via graph convolution networks for video‐based person re‐identification
Authors: Li Wei , Feng Tao , Du Guodong , Liang Sixin , Bian Ang 
Published: May 2024

SummaryUnsupervised person re‐identification based on video sequences can be applied to surveillance systems and is attracting much more attention. It aims to spot specific person in other scenes captured by different cameras. This work explores an innovative strategy, namely, learning to cluster unlabeled person in the videos through graph convolutional networks. In this article, we find that the possibility of inter‐frame linkage can be inferred from context. Therefore, a pose‐guided topology linkage clustering framework is proposed. Our framework consists of three modules: (i) a pose‐guided representation module; (ii) a pose‐guided embedding module; (iii) a link prediction module. First, the representation coding alone is performed at the level of relational induction bias, embedding the implicit pose structure information in image features. Then, based on the consideration of the topology relationship between adjacent and cross‐frame, graph convolutional network is introduced to infer the likelihood of linkage between frame nodes. Experiments show that the proposed method demonstrates excellent scalability in addition to being an effective response to person clustering in case of changes, and does not need the number of clusters as a prior.
A compact, low‐loss, and wide passband ratio substrate integrated waveguide triplexer based on complementary split ring resonators for multiband applications
Authors: Xuan Loi Dai , Le Ha Vu , Chi Hieu Ta , Duy Manh Luong 
Published: May 2024

SummaryIn this paper, a design of a substrate‐integrated waveguide (SIW) triplexer with improved low‐loss performance, passband ratio, and compactness based on the complementary split ring resonator (CSRR) structure is presented. The proposed triplexer operates at three passbands of 6, 8, and 10 GHz that correspond to the passband ratios of 1.33 and 1.67. By appropriately designing square CSRRs on the surface of the SIW structure, the low‐loss and compact resonator filters below the cut‐off frequency of the SIW at each operation frequency can be realized. The wide passband ratio is obtainable by adjusting the dimensions of the T‐junction. The measured results show the minimum insertion losses of 1.5, 1.4, and 1.9 dB at 6, 8, and 10 GHz, respectively. In addition, the minimum measured return losses are −9.33, −11.3, and −12.4 dB at the corresponding three passbands. The measured isolation between output ports is better than −17 dB in the frequency range from 5 to 11 GHz. The measured results agree well with simulations which are conducted by the CST Microwave Studio simulator. The proposed triplexer is designed on a cost‐effective RO4003C substrate with a compact size of 35
25 mm2
Grandmother–grandchild physiological synchrony in Chinese three‐generation families: Links with child emotion regulation
Authors: Tang Yingying , Perry Nicole B. , He Ting , Wu Dazhou , Zhou Nan , Lin Xiuyun 
Published: May 2024

AbstractThe current study examined the characteristics of physiological synchrony between grandmothers and grandchildren in Chinese three‐generation families, and the associations between physiological synchrony and child emotion regulation. The participants included 92 children (age 8–10‐year old) and their grandmothers. Respiratory sinus arrhythmia (RSA) was collected from both grandmothers and their grandchildren throughout a collaborative drawing task and a conflict discussion task. Child emotion regulation was measured using the Children's Emotional Management Scale. We found no evidence for an overall pattern of concordant or discordant synchrony within dyads. Instead, there was great variability in patterns of synchrony across dyads. During the collaborative drawing task, concordance in grandmother's RSA and grandchildren's subsequent RSA was linked with better emotion regulation. During the conflict discussion, concordance in grandmother's RSA and grandchildren's simultaneous RSA was linked with poorer emotion regulation. These results suggest that grandmother–grandchild synchrony in different directions, time lags, and contexts has different influences on children's emotion regulation. The findings of this study highlight the importance of contextual physiological co‐regulation between Chinese children and their grandmothers for children's social‐emotional development.