bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Degradable Bioelectronic Scaffold for Localized Cell Transfection toward Enhancing Wound Healing in a 3D Space
Authors: Xiao Ao , Jiang Xinran , Hu Yongyan , Li Hu , Jiao Yanli , Yin Dedong , Wang Yuqiong , Sun Hong , Wu Han , Lin Long , Chang Tianrui , Liu Feng , Yang Kuan , Huang Zhaocun , Sun Yanan , Zhai Penghua , Fu Yao , Kong Shenshen , Mu Wei , Wang Yi , Yu Xinge , Chang Lingqian 
Published: August 2024

AbstractLarge skin wounds, with extensive surface area and deep vertical full‐thickness involvement, can pose significant challenges in clinical settings. Traditional routes for repairing skin wounds encompass three hallmarks: 1) scab formation for hemostasis; 2) proliferation and migration of epidermal cells for wound closure; 3) proliferation, migration, and functionalization of fibroblasts and endothelial cells for dermal remodeling. However, this route face remarkable challenges to healing large wounds, usually leading to disordered structures and loss of functions in the regenerated skin, due to limited control on the transition among the three stages. In this work, an implantable bioelectronics is developed that enables the synchronization of the three stages, offering accelerated and high‐quality healing of large skin wounds. The system efficiently electro‐transfect local cells near the wounds, forcing cellular proliferation, while providing a 3D porous environments for synchronized migration of epidermal and dermal cells. In vivo experiments demonstrated that the system achieved synchronous progression of multiple layers within the wounds, leading to the reconstruction of a complete skin structure similar to healthy skin, which presents a new avenue for the clinical translation of large wound healing.
Orthogonal Photo‐ and Thermo‐Responsive Fluorescent Polymeric Hydrogels for Multi‐Level Information Encryption and Anti‐Counterfeiting
Authors: Lin Zhong , Wang Hong , Xiang Haibo , Wu Jingmei , Cui Jiaxi , Chen Jian , Chen Xudong 
Published: August 2024

AbstractStimulus‐responsive fluorescent polymeric materials (FPMs) that can change their fluorescent states via external stimuli have been widely applied in multi‐level information encryption and anti‐counterfeiting. While many efforts have mainly focused on the design of dual‐stimuli responsive FPMs, the construction of orthogonal photo‐ and thermo‐regulation of fluorescent polymeric systems remains a challenge. Here, the orthogonal photo‐ and thermo‐responsive fluorescent polymeric hydrogels (PTFPHs) containing capsules with the phase change materials (PCMs), photoresponsive molecules (DTE), and thermally responsive molecules (TPA‐DCPP) are reported. They are capable of reconfiguring fluorescence (none, green, yellow, red) via photo‐ and thermo‐induced fluorescence resonance energy transfer (FRET) process. Additionally, not only can the thermochromic property of PTFPHs be regulated by modulating the composition of PCMs, but the thermochromic and photochromic properties of PTFPHs can also be tuned by using SDS to control the size of capsules. The developed hydrogels exhibited high fluorescence contrast, fast response, and excellent reversibility. The PTFPHs are successfully applied in multi‐level information encryption and integrated application between temperature monitoring and anti‐counterfeiting. The works represented a strategy for developing multi‐stimuli responsive PTFPHs in multi‐level information encryption and advanced anti‐counterfeiting.
Beyond Traditional Perovskites: Xenon's Influence on the Vibrational and Electronic Properties of K4Xe3O12
Authors: Mukherjee Supratik , Vaitheeswaran G 
Published: August 2024

AbstractThe perovskite structure is one of the most fascinating configurations existing in nature, with its physical and chemical properties heavily influenced by the nature and oxidation states of cations, stoichiometry, and crystalline structure. Layered perovskite material K4Xe3O12, an interesting member of this family, possesses energetic properties that require detailed investigation. To establish the governing principles and quantify the observed behaviors, a detailed computational investigation is conducted into the electronic, vibrational, structural, and optical characteristics of K4Xe3O12, utilizing Density Functional Theory (DFT) calculations. The calculated elastic constants adhere to Born's criteria, affirming the mechanical stability of trigonal K4Xe3O12, with a bulk modulus (Bo) of ≈53.93 GPa. This low compressibility is intricately tied to its robust perovskite structure, featuring XeO6 octahedra sandwiched between XeO3 molecules. Precise determination of the valence‐conduction bandgap is crucial for understanding potential connections to the photodecomposition phenomenon. Using the Tran‐Blaha‐modified Becke‐Johnson (TB‐mB) potential alongside traditional generalized gradient approximation (GGA) approach, a bandgap of ≈1.32 eV is determined. Rapid fluctuations in optical properties also suggest a propensity for photodecomposition in the visible spectrum. The study provides critical insights into perovskite materials, especially those containing noble gas atoms, unveiling unique chemical and physical properties that open up new avenues for versatile applications across various fields.
Regioselective Doping into Atomically Aligned Core–Shell Structures for Electrocatalytic Reduction of Nitrate to Ammonia
Authors: Zhang Ying , Gao Tianyi , Zhang Fei , Qu Xuelian , Luo Yutong , Zhang Pu , Liang Jia , Song Yun , Fang Fang , Wang Fei , Sun Dalin , Liu Yang 
Published: August 2024

AbstractThe electrochemical nitrate reduction reaction (NO3−RR) presents an environmentally friendly approach for efficient NO3− pollutant removal and ammonia (NH3) production, compared to the conventional Haber–Bosch approach. While core/shell engineering has demonstrated its potential in enhancing NO3−RR performance, significant synthetic challenges and limited shell layer modification capabilities impede the exploration of high‐performance NO3−RR core/shell catalysts. Herein, CuCoO/Co(OH)2 core/shell structure via in situ electrochemical activation is synthesized. The catalyst delivers a maximum NH3 Faradaic efficiency (FE) of 94.7% at −0.5 VRHE with excellent durability and selectivity for NH3 over a wide range of potentials in NO3−RR, surpassing the electrocatalytic performance of both undoped shell and core components. The outstanding performance Cu─CoO/Co(OH)2 is ascribed to the enhanced charge transfer, stabilization of key reaction intermediates, and regulation of hydrogen adsorption over Cu‐doped core/shell structure. Furthermore, the assembled Zn−NO3− battery device attains a peak current density exceeding 32 mA cm−2 and an NH3 yield of up to 145.4 µmol h−1 cm−2. The work offers a novel core/shell engineering strategy in electrocatalytic NO3−RR and sheds light on the doping effects on the electrochemical NH3 synthesis.
Texture analysis of CT colonography to develop a novel imaging biomarker for the management of colorectal cancer
Authors: Mamiya Hisashi , Tochigi Toru , Hayano Koichi , Ohira Gaku , Imanishi Shunsuke , Maruyama Tetsuro , Kurata Yoshihiro , Takahashi Yumiko , Hirata Atsushi , Matsubara Hisahiro 
Published: August 2024

AbstractBackgroundRecent studies have focused on evaluating the biomarker value of textural features in radiological images. Our study investigated whether or not a texture analysis of computed tomographic colonography (CTC) images could be a novel biomarker for colorectal cancer (CRC).MethodsThis retrospective study investigated 263 patients with CRC who underwent contrast‐enhanced CTC (CE‐CTC) before curative surgery between January 2014 and December 2017. Multiple texture analyses (fractal, histogram, and gray‐level co‐occurrence matrix [GLCM] texture analyses) were applied to CE‐CTC (portal‐venous phase), and fractal dimension (FD), skewness, kurtosis, entropy, and GLCM texture parameters, including GLCM‐correlation, GLCM‐autocorrelation, GLCM‐entropy, and GLCM‐homogeneity, of the tumor were calculated. These texture parameters were compared with pathological factors (tumor depth, lymph node metastasis, vascular invasion, and lymphatic invasion) and overall survival (OS).ResultsTumor depth was significantly associated with FD, kurtosis, entropy, GLCM‐correlation, GLCM‐autocorrelation, GLCM‐entropy, and GLCM‐homogeneity (p = 0.001, 0.001, 0.001, 0.001, 0.018, 0.008, and 0.001, respectively); lymph node metastasis was associated with GLCM‐homogeneity (p = 0.004); lymphatic invasion was associated with GLCM‐correlation and GLCM‐homogeneity (p = 0.001 and 0.012, respectively); and venous invasion was associated with FD, entropy, GLCM‐correlation, GLCM‐autocorrelation, and GLCM‐entropy of the tumor (p = 0.001, 0.033, 0.021, 0.046, respectively). In the Kaplan–Meier analysis, patients with high GLCM‐correlation tumors or high GLCM‐homogeneity tumors showed a significantly worse OS than others (p = 0.001 and 0.04, respectively). Multivariate analyses showed that the GLCM correlation was an independent prognostic factor for the OS (p = 0.021).ConclusionCE‐CTC‐derived texture parameters may be clinically useful biomarkers for managing CRC patients.
Spatiotemporal Nitric Oxide Modulation via Electrochemical Platform to Profile Tumor Cell Response
Authors: Won Chanju , Kim Sojin , Kwak Dongvin , Kim Taemin , Kim Jinhui , Lee Eunjun , Kim Suyeon , Velmurugan Adith Ramakrishnan , Ringe Stefan , Kim Hugh I. , Jin Kyoungsuk 
Published: August 2024

AbstractNitric oxide (NO) is a gaseous molecule intricately implicated in oncologic processes, encompassing the modulation of angiogenesis and instigating apoptosis. Investigation of the antitumor effects of NO is currently underway, necessitating a detailed understanding of its cellular‐level reactions. Regulating the behavior of radical NO species has been a significant challenge, primarily due to its instability in aqueous environments by rapid O2‐induced degradation. In this study, we devised an electrochemical platform to investigate the cellular responses to reactive gaseous molecules. Our designed platform precisely controlled the NO flux and diffusion rates of NO to tumor cells. COMSOL Multiphysics calculations based on diffusion and reaction kinetics were conducted to simulate the behavior of electrochemically generated NO. We discerned that the effective radius, NO flux, and electrolysis duration are pivotal factors governing cellular response by NO.
Non‐Ionic Peterson‐Type Olefination Reactivity and its Use in a Silicon‐Promoted Carbonyl‐Carbonyl Cross Coupling Reaction
Authors: Tran Thuan T. , Arkhypchuk Anna I. , Ott Sascha 
Published: August 2024

AbstractThe [2+2] cycloaddition reaction between the Si=C double bond of adamantylsilene and the carbonyl group of aliphatic, aromatic or acetylenic ketones and aldehydes is demonstrated. The product of this reaction that is central to a non‐ionic version of the Peterson olefination is an unusual four‐membered 1,2‐silaoxetane heterocycle that was characterized spectroscopically and crystallographically. In the presence of SiO2, the silaoxetane undergoes retro‐cycloaddition with the formation of alkene products. As the [2+2] cycloaddition proceeds without the necessity of any base, enolizable ketones can be converted into olefins. In addition, it is shown that the adamantylsilene can be produced in situ by a sila‐Peterson reaction, providing valuable input for the development of a new one‐pot silicon‐based reductive carbonyl‐carbonyl cross coupling methodology.
Spin‐State Switching of Spin‐Crossover Complexes on Cu(111) Evidenced by Spin‐Flip Spectroscopy
Authors: Johannsen Sven , Robles Roberto , Weismann Alexander , Ridier Karl , Berndt Richard , Gruber Manuel 
Published: August 2024

AbstractSpin‐crossover compounds can be switched between two stable states with different magnetic moments, conformations, electronic, and optical properties, which opens appealing perspectives for technological applications including miniaturization down to the scale of single molecules. Although control of the spin states is crucial their direct identification is challenging in single‐molecule experiments. Here we investigate the spin‐crossover complex [Fe(HB(1,2,4‐triazol‐1‐yl)3)2] on a Cu(111) surface with scanning tunneling microscopy and density functional theory calculations. Spin crossover of single molecules in dense islands is achieved via electron injection. Spin‐flip excitations are resolved in scanning tunneling spectra in a magnetic field enabling the direct identification of the molecular spin state, and revealing the existence of magnetic anisotropy in the HS molecules.
NIR‐II AIEgens for Infectious Diseases Phototheranostics
Authors: Yan Dingyuan , Li Zheng , Lee Michelle M. S. , Zhong Tang Ben , Wang Dong 
Published: August 2024

AbstractPathogenic infectious diseases have persistently posed significant threats to public health. Phototheranostics, which combines the functions of diagnostic imaging and therapy, presents an extremely promising solution to block the spread of pathogens as well as the outbreak of epidemics owing to its merits of a wide‐spectrum of activity, high controllability, non‐invasiveness, and difficult to acquire resistance. Among multifarious phototheranostic agents, second near‐infrared (NIR‐II, 1000–1700 nm) aggregation‐induced emission luminogens (AIEgens) are notable by virtue of their deep penetration depth, excellent biocompatibility, balanced radiative and nonradiative decay and aggregation‐enhanced theranostic performance, making them an ideal option for combating pathogens. This minireview provides a systematical summary of the latest advancements in NIR‐II AIEgens with emphasis on the molecular design and nanoplatform formulation to fulfill high‐efficiency in treating bacterial and viral pathogens, classified by disease models. Then, the current challenges, potential opportunities, and future research directions are presented to facilitate the further progress of this emerging field.
Enhancement of Lithium‐Mediated Nitrogen Reduction by Modifying Center Atom of Tetraalkyl‐Type Ionic Liquids
Authors: Yang Sungbin , Chu Jinwoo , Park Jihye , Kim Hyungjun , Shin Byungha 
Published: August 2024

AbstractThe lithium‐mediated nitrogen reduction reaction (Li‐NRR) offers a viable alternative to the Haber–Bosch process for ammonia production. However, ethanol, a common proton carrier in Li‐NRR, exhibits electrochemical instability, leading to oxidation at the anode or byproduct formation at the cathode. This study replaces alcoholic proton carriers with ionic liquids (ILs), specifically tetrabutylphosphonium chloride (TBPCl) and tetrabutylammonium chloride (TBACl), to examine how the electronegativity differences between the central atom and adjacent carbon of the cation affect catalytic performance. The results show that switching the central atom in tetraalkyl‐type ILs markedly enhances performance, specifically resulting in a 1.45‐fold increase in Faradaic efficiency (FE) with the transition from phosphonium to ammonium cation of ILs. Additionally, optimal IL concentrations in the electrolyte are identified to maximize ammonia yield. TBACl, in particular, demonstrates enhanced ammonia production and operational stability, achieving an ammonia yield rate of 13.60 nmol/cm2/s, an FE of 39.5 %, and operational stability for over 12 h under conditions of 10 mA/cm2 and 10 atm. This research underscores the potential of precise IL modifications for more efficient and sustainable Li‐NRR.
Diphenylacetylene‐Incorporating Octaphyrin: A Rigid Macrocycle with Readily Separable Conformational Isomers
Authors: Han Puren , Duan Zhiming , Shao Min , Sessler Jonathan L. , Lei Chuanhu 
Published: August 2024

AbstractAn expanded carbaporphyrinoid analogue, octaphyrin(2,1,1,1,2,1,1,1), containing two rigid diphenylacetylene moieties is reported. In contrast to traditional pyrrolic macrocycles where flexible conformers coexist in dynamic equilibrium, this macrocycle exists as two separable, conformationally stable stereoisomers, denoted as 1A and 1B. The conformational effect of both conformers, as well as their protonated forms, were thoroughly studied using NMR spectroscopy, UV/Vis, and single crystal X‐ray diffraction analyses. Importantly, heating conformer 1B leads to its irreversible conversion to 1A, whereas in its protonated form, 1A ⋅ 2MSA undergoes irreversible transformation to 1B ⋅ 2MSA at lower temperatures. These temperature‐dependent features establish a foundation for developing new accumulated heat sensors, as demonstrated by the use of the present octaphyrins as a customized thermochromic indicator in steam sterilization. The present study thus underscores how the conformational rigidity of these new polypyrrolic macrocycles imparts properties that are distinct from historically flexible expanded porphyrinoids.
The Chemistry of Metal–Organic Frameworks for Multicomponent Gas Separation
Authors: Yang Lifeng , Zhang Peixin , Cui Jiyu , Cui Xili , Xing Huabin 
Published: August 2024

AbstractAdsorbents‐based gas separation technologies are regarded as the potential energy‐efficient alternatives towards current thermal‐driven methods, and the study on multi‐component gas separation is essential to deepen our understanding of the adsorbents for practical use. Relative to the ideal two‐component mixtures, both the adsorption behavior and separation mechanisms are obviously more complex in multiple gas mixtures due to their close or even overlapped sizes and properties. The emergence of metal–organic frameworks with controllable pore size and pore chemistry provides the platform for the tailor‐made pore structure to satisfy the harsh requirements of multi‐component gas separation. This minireview highlights the recent advance of multi‐component gas separation using metal–organic frameworks, including multiple impurities removal and selective molecular capture. Combining with the typical cases of hydrocarbon separations (C2, C4, and C8), the detailed discussion about the developed strategies (e.g. self‐adaptive binding sites, multiple binding spaces, synergistic binding sites, synergistic sorbent separation technology, gate‐opening effect, size and thermodynamic combine effect) that are adaptive to different scenarios would be provided. The review will conclude with our perspective on the existing barriers and the future direction of this topic.
Dye Induced Luminescence Properties of Gold(I) Complexes with near Unity Quantum Efficiency
Authors: Naina Vanitha R. , Gillhuber Sebastian , Ritschel Christian , Jin Da , Shubham  , Lebedkin Sergei , Feldmann Claus , Weigend Florian , Kappes Manfred M. , Roesky Peter W. 
Published: August 2024

AbstractTo study the effect of a dye on the photoluminescence (PL) properties of metal complexes, a series of gold(I) complexes were synthesized, containing a 7‐amino‐4‐methylcoumarin luminophore. The complexes are comprised of a coumarin moiety featuring different ancillary ligands, specifically N‐heterocyclic carbenes, triphenylphosphine, and diphenyl‐2‐pyridylphosphine. The synthesized gold(I) complexes are luminescent both in solution and the solid state at room temperature and 77 K. Complexes of different nuclearity, i.e., mono‐, di‐ and trinuclear compounds were synthesized. A clear trend between the nuclearity and the quantum yields can be seen. The coumarin dye not only improves the PL properties, but also enhances the luminescence of trinuclear clusters, which are otherwise known to be weak emitters in solution. The optical absorption properties were investigated in detail by quantum chemical calculations.
A Microsphere Dual‐Ligand MOFs Modified Carbon Paste Electrode and Its Application as Electrochemical Sensor for Bisphenol A and Metal Ions
Authors: Wang Ganghui , Wang Han , Li Huan , Chen Panpan , Guo Hongxu 
Published: August 2024

ABSTRACTThis study introduces a new electrochemical sensor for bisphenol A (BPA) and metal ions utilizing a microsphere dual‐ligand Ni‐based MOFs modified carbon paste. The MOFs (Ni‐bipy‐btc) synthesized from dual‐ligands were prepared via a hydrothermal method and characterized using X‐ray diffraction (XRD), scanning electron microscope (SEM), FT‐IR spectrometer, X‐ray photoelectron spectrum (XPS), and specific surface area test (BET) analysis. The resulting MOFs exhibited promising performance as electrode materials for electrochemical sensors targeting the detection of BPA and heavy metal ions (Pb2+ and Cu2+). The linear range of the MOFs (Ni‐bipy‐btc)/CPE electrode for BPA detection ranged from 0.2 to 150 μM, with a detection limit of 0.045 μM, demonstrating robust immunity and stability. Additionally, the limit of detection for the MOFs (Ni‐bipy‐btc)/CPE electrode was found to be 4.3 and 9.5 nM for Pb2+ and Cu2+ ions, respectively, showcasing excellent stability and reproducibility. This study presents a straightforward approach for the highly sensitive electrochemical detection of BPA and heavy metal ions using a simple hydrothermal reaction method.
Saturated Red Electrophosphorescence From Novel Pyridinopyridazine‐Based Iridium Complexes
Authors: Xiao‐Yu Zhang , Zheng‐Ze Li , Jia‐Hui Xu , Ren Sheng , Bi‐Hai Tong , Ping Chen , Hui Kong 
Published: August 2024

ABSTRACTTwo isomeric homoleptic Ir(III) complexes with pyridinopyridazine derivative ligands were prepared first. Due to its stronger intramolecular hydrogen bonding and intermolecular interactions, complex IrPPM has a higher decomposition temperature (5% weight loss) of 387°C than IrPPP (354°C). They have similar UV–Vis absorption and photoluminescence spectra in CH2Cl2 solution with photoluminescence peaks around 635–636 nm. However, the emission peak of IrPPM in neat powder obviously red‐shifted to 652 nm, and that of IrPPP blue‐shifted to 626 nm. Simultaneously, complex IrPPM has a lower photoluminescence quantum yield of 0.3 than IrPPP (0.5). Efficient saturated red OLED devices are developed with Commission Internationale de L'Eclairage color coordinates of (0.67, 0.32) and (0.66, 0.32), respectively. The maximum external quantum efficiencies of both devices exceed 11%. These results demonstrate the great potential of pyridinopyridazine derivatives for developing new iridium complexes for OLED applications.
Influence of nanosilica and chain extender on the mechanical behavior of poly(lactic acid)/poly(butylene adipate‐co‐terephthalate) blends
Authors: Khonakdar Hanieh , Yazdanbakhsh Amir Hossein , Mousavi Seyed Rasoul , Ahmadi Shervin , Arabi Hasan , Ruckdäschel Holger , Khonakdar Hossein Ali 
Published: August 2024

AbstractThe effect of incorporating different percentages of hydrophobic and hydrophilic nanosilica (HPB and HPL NS) particles and chain extender (CE) on the mechanical behavior of poly(lactic acid)/poly(butylene adipate‐co‐terephthalate) (PLA/PBAT) blends was evaluated. The mechanical behavior of the samples was explained using different theoretical models. Microscopic studies showed that adding both types of NS particles and CE led to more uneven surfaces for blends. Also, no obvious aggregations were observed in both blend nanocomposites, and both kinds of NS particles were mainly present in the PBAT phase. Except for the blend containing 1 phr HPB NS particles, which revealed a continuous morphology, all the PLA/PBAT blends containing both types of NS particles indicated a droplet‐matrix morphology. The more the NS content, the more uniform the PBAT distribution. Adding CE in the blends improved Young's modulus, yield strength, and elongation‐at‐break to a particular loading of CE (2 phr), while these properties were diminished after introducing more CE. Also, the most improvements in the yield strength (45%) and Young's modulus (35%) were seen for the PLA/PBAT (75/25 w/w) containing 2 phr CE and 5 phr HPL NS particles. Besides, a good agreement was observed for experimental values and theoretical models for all samples.