bluuebunny/crossref_metadata_2025_split huggingface dataset:
Clear‐Box Machine Learning for Virtual Screening of 2D Nanozymes to Target Tumor Hydrogen Peroxide
Authors: Gao Xuejiao J. , Yan Jun , Zheng Jia‐Jia , Zhong Shengliang , Gao Xingfa 
Published: December 2022

AbstractTargeting tumor hydrogen peroxide (H2O2) with catalytic materials has provided a novel chemotherapy strategy against solid tumors. Because numerous materials have been fabricated so far, there is an urgent need for an efficient in silico method, which can automatically screen out appropriate candidates from materials libraries for further therapeutic evaluation. In this work, adsorption‐energy‐based descriptors and criteria are developed for the catalase‐like activities of materials surfaces. The result enables a comprehensive prediction of H2O2‐targeted catalytic activities of materials by density functional theory (DFT) calculations. To expedite the prediction, machine learning models, which efficiently calculate the adsorption energies for 2D materials without DFT, are further developed. The finally obtained method takes advantage of both interpretability of physics model and high efficiency of machine learning. It provides an efficient approach for in silico screening of 2D materials toward tumor catalytic therapy, and it will greatly promote the development of catalytic nanomaterials for medical applications.
Fine‐Tuned Ultra‐Microporous Metal–Organic Framework in Mixed‐Matrix Membrane: Pore‐Tailoring Optimization for C2H2/C2H4 Separation
Authors: Xu Tong , Zhang Panpan , Cui Fengchao , Li Jiantang , Kan Liang , Tang Baobing , Zou Xiaoqin , Liu Yunling , Zhu Guangshan 
Published: December 2022

AbstractEffective separation of ethyne from ethyne/ethylene (C2H2/C2H4) mixtures is a challenging and crucial industrial process. Herein, an ultra‐microporous metal–organic framework (MOF) platform, Cd(dicarboxylate)2(ditriazole), with triangular channels is proposed for high‐efficiency separation of C2H2 from C2H4. The targeted structures are constructed via a mixed‐ligand strategy by selecting different‐sized ligands, allowing for tunable pore sizes and volumes. The pore properties can be further optimized by additional modification via pore environment tailoring. This concept leads to the successful synthesis of three ultra‐microporous Cd‐MOFs (JLU‐MOF87–89). As intended, C2H2 uptake and C2H2/C2H4 selectivity gradually increase with progressively optimizing the pore structure by adjusting ligand length and substituents. JLU‐MOF89, functionalized with methyl groups, features the most optimal pore chemistry and shows selective recognition of C2H2 over C2H4, owing to the framework–C2H2 host–guest interactions. Furthermore, JLU‐MOFs are fabricated into mixed‐matrix membranes for C2H2/C2H4 separation. C2H2 permeability and C2H2/C2H4 permselectivity are substantially enhanced by ≥400% and ≥200%, respectively, after hybridization of JLU‐MOF88 and JLU‐MOF89 with a polyimide polymer (6FDA–ODA). These membranes can work efficiently and are stable under different conditions, demonstrating their potential in actual ethyne separation.
Reconfigurable Electrical Networks within a Conductive Hydrogel Composite
Authors: Ohm Yunsik , Liao Jiahe , Luo Yichi , Ford Michael J. , Majidi Carmel 
Published: December 2022

AbstractSoft materials that exhibit compliance, programmability, and reconfigurability can have a transformative impact as electronic skin for applications in wearable electronics/soft robotics. There has been significant progress in soft conductive materials; however, achieving electrically controlled and reversible changes in conductivity and circuit connectivity remains challenging. To overcome this limitation, a soft material architecture with reconfigurable conductive networks of silver flakes embedded within a hydrogel matrix is presented. The conductive networks can be reversibly created/disconnected through various stimuli, including current, humidity, or temperature. Such stimuli affect electrical connectivity of the hydrogel by controlling its water content, which can be modulated by evaporation under ambient conditions (passive dehydration), evaporation through electrical Joule heating (active dehydration), or absorption of additional water (rehydration). The resulting change in electrical conductivity is reversible and repeatable, endowing the composite with on‐demand reconfigurable conductivity. To highlight this material's unique properties, it is shown that conductive traces can be reconfigured after severe damage and revert to lower conductivity after rehydration. Additionally, a quadruped robot is demonstrated that can respond to stimuli by changing direction following exposure to excess water, thereby achieving reprogrammable locomotion behaviors.
Ultra‐Narrowband Near‐Infrared Responsive J‐Aggregates of Fused Quinoidal Tetracyanoindacenodithiophene
Authors: He Qiao , Basu Aniruddha , Cha Hyojung , Daboczi Matyas , Panidi Julianna , Tan Luxi , Hu Xiantao , Huang Chi Cheng , Ding Bowen , White Andrew J. P. , Kim Ji‐Seon , Durrant James R. , Anthopoulos Thomas D. , Heeney Martin 
Published: December 2022

AbstractNarrowband photoresponsive molecules are highly coveted in high‐resolution imaging, sensing, and monochromatic photodetection, especially those extending into the near‐infrared (NIR) spectral range. Here, a new class of J‐aggregating materials based on quinoidal indacenodithiophenes (IDTs) that exhibit an ultra‐narrowband (full width half maxima of 22 nm) NIR absorption peak centered at 770 nm is reported. The spectral width is readily tuned by the length of the solubilizing alkyl group, with longer chains resulting in significant spectral narrowing. The J‐aggregate behavior is confirmed by a combination of excited state lifetime measurements and single‐crystal X‐ray diffraction measurements. Their utility as electron‐transporting materials is demonstrated in both transistor and phototransistor devices, with the latter demonstrating good response at NIR wavelengths (780 nm) over a range of intensities.
A pH‐Activatable Copper‐Biomineralized Proenzyme for Synergistic Chemodynamic/Chemo‐Immunotherapy against Aggressive Cancers
Authors: Li Ting , Zhang Ying , Zhu Jie , Zhang Fangrui , Xu An'an , Zhou Tian , Li Yaoqi , Liu Ming , Ke Hengte , Yang Tao , Tang Yong'an , Tao Jing , Miao Liyan , Deng Yibin , Chen Huabing 
Published: December 2022

AbstractArtificial enzymes have demonstrated therapeutic benefits against diverse malignant tumors, yet their antitumor potencies are still severely compromised by non‐selective catalysis, low atomic‐utilization efficiency, and undesired off‐target toxicity. Herein, it is reported that peroxidase‐like biomineralized copper (II) carbonate hydroxide nanocrystals inside single albumin nanocages (CuCH‐NCs) act as a pH‐activatable proenzyme to achieve tumor‐selective and synergistic chemodynamic/chemo‐immunotherapy against aggressive triple‐negative breast cancers (TNBCs). These CuCH‐NCs show pH‐sensitive Cu2+ release, which spontaneously undergoes glutathione (GSH)‐mediated reduction into Cu+ species for catalyzing the evolution of H2O2 into hydroxyl radicals (·OH) in a single‐atom‐like manner to cause chemodynamic cell injury, and simultaneously activates non‐toxic disulfiram to cytotoxic complex for yielding selective chemotherapeutic damage via blocking cell proliferation and amplifying cell apoptosis. CuCH‐NCs exhibit considerable tumor‐targeting capacity with deep penetration depth, thus affording preferable efficacy against orthotopic breast tumors through synergistic chemodynamic/chemotherapy, together with good in vivo safety. Moreover, CuCH‐NCs arouse distinct immunogenic cell death effect and upregulate PD‐L1 expression upon disulfiram combination, and thus synergize with anti‐PD‐L1 antibody to activate adaptive and innate immunities, together with relieving immunosuppression, finally yielding potent antitumor efficacy against both primary and metastatic TNBCs. These results provide insights into smart and high‐performance proenzymes for synergistic therapy against aggressive cancers.
Computationally Guided DIW Technology to Enable Robust Printing of Inks with Evolving Rheological Properties
Authors: Lopez‐Donaire Maria Luisa , de Aranda‐Izuzquiza Gonzalo , Garzon‐Hernandez Sara , Crespo‐Miguel Javier , Fernandez‐de la Torre Miguel , Velasco Diego , Garcia‐Gonzalez Daniel 
Published: December 2022

AbstractSoft multifunctional materials allow for mechanical sensing or actuation as a response to multiple physical stimuli, while providing material stiffness that mimic soft biological tissues (≈1–10 kPa). One of the main bottlenecks in the state of the art relates to the difficulty for manufacturing complex shapes when using inks whose properties significantly change over the printing time. To overcome this issue, the implementation of a hybrid (theoretical‐experimental) framework that allows optimal printability of time‐dependent viscosity inks by using the direct ink writing technology. Although the rheological properties of the ink vary during printing time, a combination of theoretical and experimental methods provides evolving printing conditions that ensure efficient and robust printability over the process. The method removes the need of introducing additives to the ink. To enable this technology, an in‐house printer that provides flexibility to modulate the extrusion pressure over printing time is developed. The method is validated by manufacturing magnetorheological elastomers and conductive soft materials for specific bioengineering and soft electronics applications.
Strongly Anisotropic Quasi‐1D BaTiS3 Chalcogenide Perovskite for Near‐Infrared Polarized Photodetection
Authors: Yang Feifan , Li Kanghua , Fan Mingzhi , Yao Wendian , Fu Liuchong , Xiong Changying , Jiang Shenglin , Li Dehui , Xu Ming , Chen Chao , Zhang Guangzu , Tang Jiang 
Published: December 2022

AbstractOne‐dimensional (1D) crystal‐structural materials have attracted extensive attention for polarization detection because of the strong anisotropy. Barium titanium sulfide (BaTiS3), a quasi‐1D chalcogenide perovskite, demonstrates a great potential for polarization detection stemming from the giant optical anisotropy. Whereas, the photoelectric properties of BaTiS3 and its direct application in polarized photodetector are less studied. Herein, quasi‐1D BaTiS3 is introduced in polarized photodetection for the first time. The needle‐like BaTiS3 single crystals are successfully prepared by a modified chemical vapor transport process. The BaTiS3 single crystal demonstrates a narrow bandgap of 0.8 eV, an n‐type intrinsic conductivity, and a more than 300 cm2 V−1 s−1 mobility along the c‐axis. Then, an Ag/BaTiS3/Ag photoconductive detector is fabricated. It shows a broad detection wavelength ranging from visual light to 1550 nm and high responsivity of ≈1.22 A W−1. Moreover, an orthogonal reverse property of polarization photocurrent is observed under the excitation energy of 1.70 eV and 1.96 eV. These comprehensive characteristics can promote the application of the quasi‐1D BaTiS3 in near‐infrared polarized photodetection.
Multiresponsive Dielectric Metasurfaces Based on Dual Light‐ and Temperature‐Responsive Copolymers
Authors: Zou Chengjun , Poudel Purushottam , Walden Sarah L. , Tanaka Katsuya , Minovich Alexander , Pertsch Thomas , Schacher Felix H. , Staude Isabelle 
Published: December 2022

AbstractTunability is essential for unlocking a range of practical applications of high‐efficiency metasurface‐based nanophotonic devices and systems. Increased research efforts in this area during recent years led to significant progress regarding tuning mechanisms, speed, and diverse active functionalities. However, so far almost all the demonstrated works are based on a single type of physical stimulus, thereby excluding important opportunities to enhance the modulation range of the metadevices, the available design options, as well as interaction channels between the metadevices and their environment. In this article, it is experimentally demonstrated that multi‐responsive metasurfaces can be realized by combining asymmetric, highly resonant metasurfaces with multi‐responsive polymeric materials. The respective copolymers combine light‐ and temperature‐responsive comonomers in an optimized ratio. This work demonstrates clearly reversible light‐responsive, temperature‐responsive, and co‐responsive tuning of the metasurface optical resonance positions at near‐infrared wavelengths, featuring maximum spectral resonance shifts of nearly twice the full‐width‐at‐half‐maximum and accompanied by more than 60% absolute modulation in transmittance. This work provides new design freedom for multifunctional metadevices and can potentially be expanded to other types of copolymers as well. Furthermore, the studied hybrid multiresponsive systems are promising candidates for multi‐dimensional sensing applications.
Hybrid Nanogels‐Based Printable Tattoos Inspired by Lady Costume from Tang Dynasty for Monitoring Solar UV Radiation
Authors: Hu Neng , Gao Di , Cai Xin , Lei Lin , Wang Weijia , Fan Huiqing , Müller‐Buschbaum Peter , Zhong Qi 
Published: December 2022

AbstractInspired by the lady costume from Tang Dynasty, printable tattoos are prepared from hybrid nanogels to monitor ultraviolet (UV) radiation from sunshine. The hybrid poly(di(ethyleneglycol) methylether methacrylate‐co‐poly(ethylene glycol) methylethermethacrylate) nanogels containing graphitic carbon nitride (g‐C3N4) nanosheets, abbreviated as hybrid P(MA‐co‐MA300)/g‐C3N4 nanogels, are prepared by precipitation polymerization. Due to the excellent photocatalysis of the g‐C3N4 nanosheets, the dyed hybrid nanogels can be rapidly photodegraded under sunshine. Based on the linear correlation between the discoloration of dyed hybrid nanogels and the dose of solar radiation, the UV radiation from sunshine can be simply monitored by checking the color in real‐time. By applying different types of dyes, the hybrid nanogels even can be used to trace the dose for the synthesis of vitamin D, induction of erythema and risk of skin cancer simultaneously. Favored by the stickiness of acrylate‐based polymers, the hybrid nanogels can be printed to the body as tattoos to realize decoration and UV detection. By simply switching the template for printing, the tattoo patterns can be easily changed according to personal interests and applied position on the human body. Therefore, the present hybrid nanogels can be a promising candidate to monitor the solar radiation dose and decorate the human body.
Facile Preparation Strategy of Novel Carbon Dots with Aggregation‐Induced Emission and Room‐Temperature Phosphorescence Characteristics
Authors: Ding Liu , Jin Xilang , Gao Yuchong , Wu Jinlong , Ai Taotao , Zhou Hongwei , Chen Xinyu , Zhang Xinyu , Chen Weixing 
Published: December 2022

AbstractAs one of the most promising fluorescent nanomaterials, carbon dots (CDs) are extensively studied. Nevertheless, one‐pot synthesis methods for CDs with both dual emission aggregation‐induced emission (AIE) and room‐temperature phosphorescence (RTP) could lead to significant breakthrough in extensive application fields. Herein, a new class of CDs (E‐CCDs) with reversible luminescence (blue dissolved fluorescence and red AIE) and RTP behavior is obtained with an eco‐friendly, low‐cost one‐pot solvothermal method. E‐CCDs exhibit dual fluorescence emission at 460 (Em‐1) and 600 nm (Em‐2), which is related to different emission centers. The addition of cyanic acid enhances the RTP behavior with a lifetime of 1.17 s, which lasts for ≈9 s to the naked eye. Based on the unique fluorescence and phosphorescence characteristics of CDs, E‐CCDs can be potentially used for fingerprint detection and information encryption.
Diastereoselective Access to cis‐1,4‐Disubstitued Tetrahydro‐γ‐carbolines via a [Cp*RhCl2]2‐Catalyzed Formal [3+3]‐Cycloaddition
Authors: Xing Siyang , Gao Tingxuan , Jin Changkun , Dong Hongguo , Shao Xueying , Wang Kui , Zhu Bolin 
Published: December 2022

AbstractA [Cp*RhCl2]2‐catalyzed formal [3+3]‐cycloaddition involving sequential ring opening of aziridines initiated by C−H activation and Michael addition has been developed for the construction of cis‐1,4‐disubstitued tetrahydro‐γ‐carbolines. The advantages of this strategy include broad substrate scope, excellent cis‐diastereoselectivities, highly functionalized products, and mild conditions.magnified image
Bi2Te3/Bi2Se3/Bi2S3 Cascade Heterostructure for Fast‐Response and High‐Photoresponsivity Photodetector and High‐Efficiency Water Splitting with a Small Bias Voltage
Authors: Lu Chunhui , Luo Mingwei , Dong Wen , Ge Yanqing , Han Taotao , Liu Yuqi , Xue Xinyi , Ma Nan , Huang Yuanyuan , Zhou Yixuan , Xu Xinlong 
Published: December 2022

AbstractLarge‐scale multi‐heterostructure and optimal band alignment are significantly challenging but vital for photoelectrochemical (PEC)‐type photodetector and water splitting. Herein, the centimeter‐scale bismuth chalcogenides‐based cascade heterostructure is successfully synthesized by a sequential vapor phase deposition method. The multi‐staggered band alignment of Bi2Te3/Bi2Se3/Bi2S3 is optimized and verified by X‐ray photoelectron spectroscopy. The PEC photodetectors based on these cascade heterostructures demonstrate the highest photoresponsivity (103 mA W−1 at −0.1 V and 3.5 mAW−1 at 0 V under 475 nm light excitation) among the previous reports based on two‐dimensional materials and related heterostructures. Furthermore, the photodetectors display a fast response (≈8 ms), a high detectivity (8.96 × 109 Jones), a high external quantum efficiency (26.17%), and a high incident photon‐to‐current efficiency (27.04%) at 475 nm. Due to the rapid charge transport and efficient light absorption, the Bi2Te3/Bi2Se3/Bi2S3 cascade heterostructure demonstrates a highly efficient hydrogen production rate (≈0.416 mmol cm−2 h−1 and ≈14.320 µmol cm−2 h−1 with or without sacrificial agent, respectively), which is far superior to those of pure bismuth chalcogenides and its type‐II heterostructures. The large‐scale cascade heterostructure offers an innovative method to improve the performance of optoelectronic devices in the future.
Manipulating the Crystallization and Phase Transition for High‐Performance CsPbI2Br Solar Cells
Authors: Shan Shiqi , Xu Chang , Wu Haotian , Niu Benfang , Fu Weifei , Zuo Lijian , Chen Hongzheng 
Published: December 2022

AbstractThe inorganic perovskite solar cells (IPSC) are promising in the context of simultaneously delivering high efficiency and good stability. Developing a high‐performance and larger band gap IPSC is particularly in demand for commercialization due to their suitability to match with the prevailing silicon solar cells for tandem devices, while this is hindered by the poor morphology and phase stability of inorganic perovskite films. To address this issue, this work develops a combined method of nonstoichiometric composition and post‐cation exchange to improve the morphology and phase stability of the CsPbI2Br IPSCs, and achieves a record efficiency of 17.80%. This work finds that excessive PbI2 regulates the CsPbI2Br film crystallization, and thus, a high‐quality perovskite film with enlarged grains is obtained. Further depositing the formamidinium iodide on top of the CsPbI2Br perovskite induces cation exchange during the post‐annealing process, which increases the phase stability of the perovskite film and significantly improves the device efficiency and stability. Therefore, this work provides an avenue toward high‐performance IPSCs, via the nonstoichiometric and ion exchange method.
Short supply chains and the adoption of fungus‐resistant grapevine varieties
Authors: Finger Robert , Zachmann Lucca , McCallum Chloe 
Published: December 2022

AbstractUsing fungus‐resistant grapevine varieties can reduce pesticide use substantially, while maintaining production quantity and quality. Using survey data from 775 producers in Switzerland, we investigate the adoption of fungus‐resistant varieties and especially analyze the relevance of marketing channels and short supply chains. We find that 20.1% of respondents use fungus‐resistant varieties but the acreage is only 1.2%. Our results narrow down to a simple conclusion: the less distant the producer is from the final consumer, the more likely they use fungus‐resistant varieties. For example, producers selling their wine mainly via direct marketing have a higher (8%–38%) uptake of fungus‐resistant varieties.
The clinical relevance of detectable plasma iron species in iron overload states and subsequent to intravenous iron‐carbohydrate administration
Authors: Garbowski Maciej W. , Cabantchik Ioav , Hershko Chaim , Hider Robert , Porter John B. 
Published: December 2022

AbstractMany disorders of iron homeostasis (e.g., iron overload) are associated with the dynamic kinetic profiles of multiple non‐transferrin bound iron (NTBI) species, chronic exposure to which is associated with deleterious end‐organ effects. Here we discuss the chemical nature of NTBI species, challenges with measuring NTBI in plasma, and the clinical relevance of NTBI exposure based on source (iron overload disorder vs. intravenous iron‐carbohydrate complex administration). NTBI is not a single entity but consists of multiple, often poorly characterized species, some of which are kinetically non‐exchangeable while others are relatively exchangeable. Prolonged presence of plasma NTBI is associated with excessive tissue iron accumulation in susceptible tissues, with consequences, such as endocrinopathy and heart failure. In contrast, intravenous iron‐carbohydrate nanomedicines administration leads only to transient NTBI appearance and lacks evidence for association with adverse clinical outcomes. Assays to measure plasma NTBI are typically technically complex and remain chiefly a research tool. There have been two general approaches to estimating NTBI: capture assays and redox‐activity assays. Early assays could not avoid capturing some iron from transferrin, thus overestimating NTBI. By contrast, some later assays may have promoted the donation of NTBI species to transferrin during the assay procedure, potentially underestimating NTBI levels. The levels of transferrin saturation at which NTBI species have been detectable have varied between different methodologies and between patient populations studied.