bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrolyte Design for Improving Mechanical Stability of Solid Electrolyte Interphase in Lithium–Sulfur Batteries
Authors: Hou Li‐Peng , Li Yuan , Li Zheng , Zhang Qian‐Kui , Li Bo‐Quan , Bi Chen‐Xi , Chen Zi‐Xian , Su Li‐Ling , Huang Jia‐Qi , Wen Rui , Zhang Xue‐Qiang , Zhang Qiang 
Published: June 2023

AbstractPractical lithium–sulfur (Li−S) batteries are severely plagued by the instability of solid electrolyte interphase (SEI) formed in routine ether electrolytes. Herein, an electrolyte with 1,3,5‐trioxane (TO) and 1,2‐dimethoxyethane (DME) as co‐solvents is proposed to construct a high‐mechanical‐stability SEI by enriching organic components in Li−S batteries. The high‐mechanical‐stability SEI works compatibly in Li−S batteries. TO with high polymerization capability can preferentially decompose and form organic‐rich SEI, strengthening mechanical stability of SEI, which mitigates crack and regeneration of SEI and reduces the consumption rate of active Li, Li polysulfides, and electrolytes. Meanwhile, DME ensures high specific capacity of S cathodes. Accordingly, the lifespan of Li−S batteries increases from 75 cycles in routine ether electrolyte to 216 cycles in TO‐based electrolyte. Furthermore, a 417 Wh kg−1 Li−S pouch cell undergoes 20 cycles. This work provides an emerging electrolyte design for practical Li−S batteries.
Colossal Anisotropic Thermal Expansion in a Diazo‐Functionalized Compound with Switchable Solid‐State Behavior
Authors: Ding Xiaodan , Unruh Daniel K. , Ma Liulei , van Aalst Evan J. , Reinheimer Eric W. , Wylie Benjamin J. , Hutchins Kristin M. 
Published: June 2023

AbstractAchieving substantial anisotropic thermal expansion (TE) in solid‐state materials is challenging as most materials undergo volumetric expansion upon heating. Here, we describe colossal, anisotropic TE in crystals of an organic compound functionalized with two azo groups. Interestingly, the material exhibits distinct and switchable TE behaviors within different temperature regions. At high temperature, two‐dimensional, area zero TE and colossal, positive linear TE (α=211 MK−1) are attained due to dynamic motion, while at low temperature, moderate positive TE occurs in all directions. Investigation of the solid‐state motion showed the change in enthalpy and entropy are quite different in the two temperature regions and solid‐state NMR experiments support motion in the solid. Cycling experiments demonstrate that the solid‐state motions and TE behaviors are completely reversible. These results reveal strategies for designing significant anisotropic and switchable behaviors in solid‐state materials.
Water Self‐Dissociation is Insensitive to Nanoscale Environments
Authors: Di Pino Solana , Perez Sirkin Yamila A. , Morzan Uriel N. , Sánchez Verónica M. , Hassanali Ali , Scherlis Damian A. 
Published: June 2023

AbstractNanoconfinement effects on water dissociation and reactivity remain controversial, despite their importance to understand the aqueous chemistry at interfaces, pores, or aerosols. The pKw in confined environments has been assessed from experiments and simulations in a few specific cases, leading to dissimilar conclusions. Here, with the use of carefully designed ab initio simulations, we demonstrate that the energetics of bulk water dissociation is conserved intact to unexpectedly small length‐scales, down to aggregates of only a dozen molecules or pores of widths below 2 nm. The reason is that most of the free‐energy involved in water autoionization comes from breaking the O−H covalent bond, which has a comparable barrier in the bulk liquid, in a small droplet of nanometer size, or in a nanopore in the absence of strong interfacial interactions. Thus, dissociation free‐energy profiles in nanoscopic aggregates or in 2D slabs of 1 nm width reproduce the behavior corresponding to the bulk liquid, regardless of whether the corresponding nanophase is delimited by a solid or a gas interface. The present work provides a definite and fundamental description of the mechanism and thermodynamics of water dissociation at different scales with broader implications on reactivity and self‐ionization at the air‐liquid interface.
Electron‐Donors–Acceptors Interaction Enhancing Electrocatalytic Activity of Metal‐Organic Polymers for Oxygen Reduction
Authors: Huang Bingyu , Tang Xiannong , Hong Yaoshuai , Li Longbin , Hu Ting , Yuan Kai , Chen Yiwang 
Published: June 2023

AbstractCatalysts with metal‐Nx sites have long been considered as effective electrocatalysts for oxygen reduction reaction (ORR), yet the accurate structure‐property correlations of these active sites remain debatable. Report here is a proof‐of‐concept method to construct 1,4,8,11‐tetraaza[14]annulene (TAA)‐based polymer nanocomposites with well‐managed electronic microenvironment via electron‐donors/acceptors interaction of altering electron‐withdrawing β‐site substituents. DFT calculation proves the optimal −Cl substituted catalyst (CoTAA−Cl@GR) tailored the key OH* intermediate interaction with Co−N4 sites under the d‐orbital regulation, hence reaching the top of ORR performance with excellent turnover frequency (0.49 e s−1 site−1). The combination of in situ scanning electrochemical microscopy and variable‐frequency square wave voltammetry techniques contribute the great ORR kinetics of CoTAA−Cl@GR to the relatively high accessible site density (7.71×1019 site g−1) and fast electron outbound propagation mechanism. This work provides theoretical guidance for rational design of high‐performance catalysts for ORR and beyond.
Degradable, Ultraviolet‐Crosslinked Pressure‐Sensitive Adhesives Made from Thioester‐Functional Acrylate Copolymers
Authors: Abu Bakar Rohani , Hepburn Kyle S. , Keddie Joseph L. , Roth Peter J. 
Published: June 2023

AbstractPressure‐sensitive adhesives (PSAs) are made from soft, irreversibly lightly crosslinked polymers. Even after removal from surfaces, they retain insoluble networks which pose problems during the recycling of glass and cardboard. Herein, degradable PSAs are presented that provide the required performance in use but have networks that can be degraded after use. A series of copolymers was prepared through radical copolymerization of n‐butyl acrylate, 4‐acryloyloxy benzophenone (ABP) photo‐crosslinker, and dibenzo[c,e]oxepin‐5(7H)‐thione (DOT) to provide degradable backbone thioesters. The optimum tack and peel strengths were found for molar contents of 0.05 mol% ABP and 0.25 mol% DOT. Degradation of the backbone thioesters through aminolysis or thiolysis led to the full dissolution of the networks, loss of adhesive properties of films (decreases in the measured tack and peel strengths), and the quick detachment of model labels from a substrate. Inclusion of DOT into PSAs offers a viable route toward degradable and recyclable packaging labels.
A Smart Deoxyribozyme‐Programmable Catalytic DNA Circuit for High‐Contrast MicroRNA Imaging
Authors: He Yuqiu , Wang Qing , Hong Chen , Li Ruomeng , Shang Jinhua , Yu Shanshan , Liu Xiaoqing , Wang Fuan 
Published: June 2023

AbstractSynthetic catalytic DNA circuits have been recognized as a promising signal amplification toolbox for sensitive intracellular imaging, yet their selectivity and efficiency are always constrained by uncontrolled off‐site signal leakage and inefficient on‐site circuitry activation. Thus, the endogenously controllable on‐site exposure/activation of DNA circuits is highly desirable for achieving the selective imaging of live cells. Herein, an endogenously activated DNAzyme strategy was facilely integrated with a catalytic DNA circuit for guiding the selective and efficient microRNA imaging in vivo. To prevent the off‐site activation, the circuitry constitute was initially caged without sensing functions, which could be selectively liberated by DNAzyme amplifier to guarantee the high‐contrast microRNA imaging in target cells. This intelligent on‐site modulation strategy can tremendously expand these molecularly engineered circuits in biological systems.
Broad Dual Emission by Codoping Cr3+ (d→d) and Bi3+ (s→p) in Cs2Ag0.6Na0.4InCl6 Double Perovskite
Authors: Saikia Sajid , Ghosh Animesh , Nag Angshuman 
Published: June 2023

AbstractA phosphor emitting both white light and broad near‐infrared (NIR) radiation can simultaneously provide visual inspection and early signs of rotting of food products. The broad NIR emission is absorbed by the vibrational overtones of water molecules present in food items, providing the non‐invasive image contrast to assess the food freshness. Here we design a phosphor, namely, Cr3+‐Bi3+‐codoped Cs2Ag0.6Na0.4InCl6, that simultaneously emit warm white light and broad NIR (1000 nm) radiation with quantum yield 27 %. This dual emitter is designed by combining the features of s2‐electron (Bi3+) and d3‐electron (Cr3+) doping in a weak crystal field of the halide perovskite host.
excitation of Bi3+, using a commercial 370 nm ultraviolet light‐emitting‐diodes (UV‐LED), yields both the emissions. A fraction of the excited Bi3+ dopants emit the warm white light, and the other fraction transfers its energy non‐radiatively to Cr3+. Then the Cr3+ de‐excites emitting broad NIR emission. Temperature dependent (6.4–300 K) photoluminescence in combination with Tanabe‐Sugano diagram show that the Cr3+ experiences a weak crystal field (
=2.2), yielding the
NIR emission. As a proof of concept, we fabricated a panel containing 122 phosphor‐converted LEDs, demonstrating its capability to inspect food products.
A Fully Conjugated Covalent Organic Framework with Oxidative and Reductive Sites for Photocatalytic Carbon Dioxide Reduction with Water
Authors: Cheng Yuan‐Zhe , Ji Wenyan , Hao Peng‐Yuan , Qi Xue‐Han , Wu Xianxin , Dou Xiao‐Meng , Bian Xin‐Yue , Jiang Di , Li Fa‐Tang , Liu Xin‐Feng , Yang Dong‐Hui , Ding Xuesong , Han Bao‐Hang 
Published: June 2023

AbstractConstructing a powerful photocatalytic system that can achieve the carbon dioxide (CO2) reduction half‐reaction and the water (H2O) oxidation half‐reaction simultaneously is a very challenging but meaningful task. Herein, a porous material with a crystalline topological network, named viCOF‐bpy‐Re, was rationally synthesized by incorporating rhenium complexes as reductive sites and triazine ring structures as oxidative sites via robust −C=C− bond linkages. The charge‐separation ability of viCOF‐bpy‐Re is promoted by low polarized π‐bridges between rhenium complexes and triazine ring units, and the efficient charge‐separation enables the photogenerated electron–hole pairs, followed by an intramolecular charge‐transfer process, to form photogenerated electrons involved in CO2 reduction and photogenerated holes that participate in H2O oxidation simultaneously. The viCOF‐bpy‐Re shows the highest catalytic photocatalytic carbon monoxide (CO) production rate (190.6 μmol g−1 h−1 with about 100 % selectivity) and oxygen (O2) evolution (90.2 μmol g−1 h−1) among all the porous catalysts in CO2 reduction with H2O as sacrificial agents. Therefore, a powerful photocatalytic system was successfully achieved, and this catalytic system exhibited excellent stability in the catalysis process for 50 hours. The structure–function relationship was confirmed by femtosecond transient absorption spectroscopy and density functional theory calculations.
Constructing Oxygen Vacancies via Engineering Heterostructured Fe3C/Fe3O4 Catalysts for Electrochemical Ammonia Synthesis
Authors: Yang Xiaoxuan , Tian Yu , Mukherjee Shreya , Li Ke , Chen Xinyu , Lv Jiaqi , Liang Song , Yan Li‐Kai , Wu Gang , Zang Hong‐Ying 
Published: June 2023

AbstractElectrocatalytic nitrogen reduction reaction (NRR) under ambient conditions provides an intriguing pathway to convert N2 into NH3. However, significant kinetic barriers of the NRR at low temperatures in desirable aqueous electrolytes remain a grand challenge due to the inert N≡N bond of the N2 molecule. Herein, we propose a unique strategy for in situ oxygen vacancy construction to address the significant trade‐off between N2 adsorption and NH3 desorption by building a hollow shell structured Fe3C/Fe3O4 heterojunction coated with carbon frameworks (Fe3C/Fe3O4@C). In the heterostructure, the Fe3C triggers the oxygen vacancies of the Fe3O4 component, which are likely active sites for the NRR. The design could optimize the adsorption strength of the N2 and NxHy intermediates, thus boosting the catalytic activity for the NRR. This work highlights the significance of the interaction between defect and interface engineering for regulating electrocatalytic properties of heterostructured catalysts for the challenging NRR. It could motivate an in‐depth exploration to advance N2 reduction to ammonia.
Ruthenium‐Catalyzed Activation of Nonpolar C−C Bonds via π‐Coordination‐Enabled Aromatization
Authors: Xu Lun , Shi Hang 
Published: June 2023

AbstractActivation of C−C bonds allows editing of molecular skeletons, but methods for selective activation of nonpolar C−C bonds in the absence of a chelation effect or a driving force derived from opening of a strained ring are scarce. Herein, we report a method for ruthenium‐catalyzed activation of nonpolar C−C bonds of pro‐aromatic compounds by means of π‐coordination‐enabled aromatization. This method was effective for cleavage of C−C(alkyl) and C−C(aryl) bonds and for ring‐opening of spirocyclic compounds, providing an array of benzene‐ring‐containing products. The isolation of a methyl ruthenium complex intermediate supports a mechanism involving ruthenium‐mediated C−C bond cleavage.
Broad Dual Emission by Codoping Cr3+(d→d) and Bi3+(s→p) in Cs2Ag0.6Na0.4InCl6Double Perovskite
Authors: Saikia Sajid , Ghosh Animesh , Nag Angshuman 
Published: June 2023

AbstractA phosphor emitting both white light and broad near‐infrared (NIR) radiation can simultaneously provide visual inspection and early signs of rotting of food products. The broad NIR emission is absorbed by the vibrational overtones of water molecules present in food items, providing the non‐invasive image contrast to assess the food freshness. Here we design a phosphor, namely, Cr3+‐Bi3+‐codoped Cs2Ag0.6Na0.4InCl6, that simultaneously emit warm white light and broad NIR (1000 nm) radiation with quantum yield 27 %. This dual emitter is designed by combining the features ofs2‐electron (Bi3+) andd3‐electron (Cr3+) doping in a weak crystal field of the halide perovskite host.excitation of Bi3+, using a commercial 370 nm ultraviolet light‐emitting‐diodes (UV‐LED), yields both the emissions. A fraction of the excited Bi3+dopants emit the warm white light, and the other fraction transfers its energy non‐radiatively to Cr3+. Then the Cr3+de‐excites emitting broad NIR emission. Temperature dependent (6.4–300 K) photoluminescence in combination with Tanabe‐Sugano diagram show that the Cr3+experiences a weak crystal field (=2.2), yielding theNIR emission. As a proof of concept, we fabricated a panel containing 122 phosphor‐converted LEDs, demonstrating its capability to inspect food products.
Synthesis and biological profile of benzoxazolone derivatives
Authors: Prasher Parteek , Mall Tanisqa , Sharma Mousmee 
Published: June 2023

AbstractThe benzoxazolone nucleus is an ideal scaffold for drug design, owing to its discrete physicochemical profile, bioisosteric preference over pharmacokinetically weaker moieties, weakly acidic behavior, presence of both lipophilic and hydrophilic fragments on a single framework, and a wider choice of chemical modification on the benzene and oxazolone rings. These properties apparently influence the interactions of benzoxazolone‐based derivatives with their respective biological targets. Hence, the benzoxazolone ring is implicated in the synthesis and development of pharmaceuticals with a diverse biological profile ranging from anticancer, analgesics, insecticides, anti‐inflammatory, and neuroprotective agents. This has further led to the commercialization of several benzoxazolone‐based molecules and a few others under clinical trials. Nevertheless, the SAR exploration of benzoxazolone derivatives for the identification of potential “hits” followed by the screening of “leads” provides a plethora of opportunities for further exploration of the pharmacological profile of the benzoxazolone nucleus. In this review, we aim to present the biological profile of different derivatives based on the benzoxazolone framework.
A Potential Polycarbonyl Polyimide as Anode Material for Lithium‐Ion Batteries
Authors: Zhang Shengnan , Zhu Kai , Gao Yinyi , Bao Tianzeng , Wu Hongbin , Cao Dianxue 
Published: June 2023

AbstractOrganic polymers have been considered reliable candidates for lithium storage due to their high capacity and lack of volume expansion. Compared with other organic polymers, polyimide has become a very promising electrode material for lithium‐ion batteries (LIBs) because of its easy synthesis, customizable structure and structural stability. A large number of studies have confirmed that the benzene ring structure of polyimide has strong lithium storage capacity as an anode material. Hence, we designed and synthesized polyimide organic polymer (PBPAQ) for the first time. The unique spherical flower structure of this material enhances the interaction between the electrode material and the electrolyte by increasing the contact area. The PBPAQ anode has a specific discharge capacity of 738 mAh g−1 after 100 cycles at 0.1 A g−1. The excellent lithium storage performance of this material laid a foundation for the research of the anode of LIBs in the future.
Regulating and Predicting the Polyhedral Crystal Morphology in Spirofluorene Molecular Systems
Authors: Jin Ling‐Zhi , Tang Yan‐Wei , Wang Yu‐Cong , Yu Xiang , Ye Qiu‐Ting , Wan Zi‐Qian , Lin Dong‐Qing , Kan Yu‐He , Zhu Qin , Wang Sha‐Sha , Xie Ling‐Hai , Huang Wei 
Published: June 2023

AbstractCrystallization of organic steric molecules often leads to multiple polyhedral crystal morphologies. However, the relationships among the molecular structure, supramolecular interaction, aggregation mode and crystal morphology are still unclear. In this work, we elaborate two model crystals formed by spiro[fluorene‐9,9′‐xanthene] (SFX) and spiro[cyclopenta[1,2‐b : 5,4‐b′]dipyridine‐5,9′‐xanthene] (SDAFX) to demonstrate the feasibility of morphology prediction by periodic bond chain (PBC) theory based on interaction energy (IE) values in terms of single point energy. With non‐directional van der Waals forces, only one PBC direction is found in SFX crystal, leading to the irregular 1D rod‐like structure. Compared with SFX, the extra N heteroatoms in SDAFX can bring additional hydrogen bonds and some other interactions into the bulky molecular skeletons, inducing 3‐dimensionally oriented PBCs to form the explicit F‐face network in SDAFX which leads to the final octahedral structure. A simple and accurate method has been provided to quantify PBC vector on the supramolecular level in the organic molecular system, and the PBC theory has also been further demonstrated and developed in the morphology prediction of organic spiro‐molecules.
Demystifying the roles of organisational smart technology, artificial intelligence, robotics and algorithms capability: A strategy for green human resource management and environmental sustainability
Authors: Ogbeibu Samuel , Emelifeonwu Jude , Pereira Vijay , Oseghale Raphael , Gaskin James , Sivarajah Uthayasankar , Gunasekaran Angappa 
Published: June 2023

AbstractWith growing climate change concerns, and constant advancements in smart technology, artificial intelligence, robotics, and algorithms (STARA), organisations in emerging economies are becoming more compelled to go green, develop and deploy their STARA capability to boost profits more effectively, and their environmental sustainability (ES). Likewise, with governments increasingly calling for ES, organisations' human resource management (HRM) is further pressured to ensure their programmes aid realisation of environmental objectives without compromising profit maximisation. However, it remains unclear how complementary Green HRM (GHRM) programmes can be supported by organisational STARA capability (OSC) to bolster ES. Accordingly, we investigate how OSC and GHRM programmes predict ES through a time lagged survey design with data from 461 managers of 177 manufacturing organisations in Nigeria. Results indicate that OSC positively predicts all GHRM programmes and ES but dampens the positive relationship between green training, involvement and development (GTID), and ES. Apart from green performance and compensation (GPC), which is a negative predictor, other GHRM programmes positively predict ES. While green recruitment and selection (GRS) and GTID are complementary mediators, GPC plays a competitive mediating role. Policy implications are subsequently discussed.
Common fibular nerve palsy due to the Fabella: A review
Authors: Woliński Filip , Bryliński Łukasz , Kostelecka Katarzyna , Teresiński Grzegorz , Buszewicz Grzegorz , Baj Jacek 
Published: June 2023

AbstractOne of the most common nerve palsies – common fibular nerve palsy – can be caused by the variant small sesamoid bone in the posterolateral compartment of the knee joint known as the fabella. We compared and reviewed all reported cases of common fibular nerve palsy due to fabellae in the English literature. Compression can develop spontaneously or post‐surgically (total knee arthroplasty). Symptoms progress rapidly to complete foot drop. Among all the cases reviewed, 68.42% were males with a median age of 39.39 years. Fabella compression was more common in the left common fibular nerve (CFN) (63.16%). Both big (23 × 20 × 16 mm) and small (5 × 5 mm) fabellae can be responsible for compression. While diagnosis can be problematic, the treatment (either surgical fabellectomy or conservative) is relatively easy and brings quick improvement.
FSTL1 promotes alveolar epithelial cell aging and worsens pulmonary fibrosis by affecting SENP1‐mediated DeSUMOylation
Authors: Sun Wei , Yang Xiaoyu , Chen Lijuan , Guo Lu , Huang Hui , Liu Xiaoshu , Yang Yang , Xu Zuojun 
Published: June 2023

AbstractAlveolar epithelial cell (AEC) senescence‐induced changes of lung mesenchymal cells are key to starting the progress of pulmonary fibrosis. Follistatin‐like 1 (FSTL1) plays a central regulatory role in the complex process of senescence and pulmonary fibrosis by enhancing transforming growth factor‐β1 (TGF‐β1) signal pathway activity. Activation of Smad4 and Ras relies on SUMO‐specific peptidase 1 (SENP1)‐mediated deSUMOylation during TGF‐β signaling pathway activation. We hypothesized that SENP1‐mediated deSUMOylation may be a potential therapeutic target by modulating FSTL1‐regulated cellular senescence in pulmonary fibrosis. In verifying this hypothesis, we found that FSTL1 expression was upregulated in the lung tissues of patients with idiopathic pulmonary fibrosis and that SENP1 was overexpressed in senescent AECs. TGF‐β1‐induced FSTL1 not only promoted AEC senescence but also upregulated SENP1 expression. Interfering with SENP1 expression inhibited FSTL1‐dependent promotion of AEC senescence and improved pulmonary fibrosis in mouse lungs. FSTL1 enhancement of TGF‐β1 signaling pathway activation was dependent on SENP1 in senescent AEC. Our work identifies a novel mechanism by which FSTL1 is involved in AEC senescence. Inhibition of SENP1 in epithelial cells alleviated pulmonary fibrosis by blocking FSTL1‐enhanced TGF signaling.