bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhanced Optical Absorption and Emission from Monolayer WS2 Integrated Onto a TiO2 Nanohole Array
Authors: Ma Churong , Li Xinkuan , Huang Pengfei , Liu Xinyue , Yan Jiahao , Zheng Zhaoqiang , Yao Jiandong , Du Chun , Liu Ying , Li Xiangping , Guan Bai‐ou , Chen Kai
Published: September 2024

Monolayer transition metal dichalcogenides (TMDCs) have extensive applications in the field of optics and optoelectronics by virtue of their unique band structures and excitonic properties. Although possessing high absorption coefficient and emission efficiency, they suffer from low optical absorptance due to the atomic scale thickness, which limits their photoluminescence and optoelectronic performance. In spite of intense research efforts on absorption enhancement of monolayer TMDCs by optical cavities, such as plasmonic and all‐dielectric nanoresonators, there inevitably exists a competition of absorption between them because of the loss in cavities. Here, strong absorption enhancements of monolayer WS2 integrated onto a TiO2 nanohole array fabricated by colloidal lithography are reported. It achieves theoretically a tenfold and experimentally a sixfold enhancement of absorption within monolayer WS2 near the band edge when TE and TM modes of the TiO2 nanohole array spectrally overlap with the A exciton. This result can be attributed to the near perfect reflection and near field localization properties of the resonant modes in TiO2 nanohole arrays. Further, the photoluminescence of monolayer WS2 is also significantly improved owing to the increased absorption of WS2 as well as Purcell effect. Such heterostructure paves the way for designing high‐efficiency sources, photodetectors, and photovoltaic devices.
Self–Trapped Exciton versus Band–Edge Electron Transitions: Insights of the Factors Affecting the Optical Properties of Lead–Free Sn–Halide Perovskites
Authors: Gualdrón‐Reyes Andrés F.
Published: September 2024

Lead–free Sn–halide perovskites (Sn–HPs) are attractive photomaterials due to their lower toxicity, and some of them with higher stability against moisture and water, compared to their Pb‐based analogous. Interestingly, Sn‐HPs can exhibit two types of optical characteristics: the first scenario is known as band‐edge electron transitions [or band‐to‐band (b‐b) emission], where accumulated electrons in the conduction band recombine with holes in the valence band, providing a close separation between the absorption edge/photoluminescence (PL) peak (small Stokes shift). The second scenario is denominated as self‐trapped exciton (STE), where intraband gap energy states are formed to trap photocarriers generated in the perovskite, producing a broadband PL and a large Stokes shift. These optical features have been suitable for developing prominent devices, but there is no consolidated explanation about the key factors influencing the emergence of b–b emission or STE in Sn‐HPs, mainly the presence of these PL mechanisms in a particular perovskite system. This review highlights how the chemical composition, structural defects, and synthetic procedures are pivotal to producing Sn‐HPs with specific b–b or STE features. This will allow the preparation of Sn‐HPs with better quality/stability, and facile modulation of their PL properties, expanding their future applicability in LCD technologies.
Multiphoton‐And SHG‐Active Pyrimidine‐Based Liquid Crystalline Thin Films Toward 3D Optical Data Storage
Authors: Nicolas Prescillia , Minon Célia , Abdallah Stephania , Chen Dong , Rizzi Giorgia , de Coene Yovan , Liu Weizhen , Jeannin Olivier , Verbiest Thierry , Clays Koen , Bellec Nathalie , Bilgin‐Eran Belkis , Akdas‐Kiliç Huriye , Malval Jean‐Pierre , Van Cleuvenbergen Stijn , Camerel Franck
Published: September 2024

An original asymmetric achiral pyrimidine core molecule, with long carbon chains on one side and a coumarin fragment on the other, is designed. This advanced molecular structure enabled the spontaneous emergence of crystalline and liquid crystalline thin films with strong 2nd harmonic generation (SHG) without any corona polishing process or tedious deposition techniques. Moreover, pin‐pointed multiphoton absorption in the liquid crystalline phase effectively switches off the SHG signal locally and permanently, underlining its interest in 3D data storage. This prototypical material, which can be fully addressed by NLO processes, multiphoton writing, and SHG reading, paves the way for the development of efficient flexible materials for 3D optical data storage.
Ultra‐Fast Weak Light Detectors Based on van der Waals Stacked 2D Semiconductor/h‐BN Heterostructures
Authors: Ke Yuxuan , Yuan Li , Xu Wenshuo , Hu Yutao , Hao Qiaoyan , Liu Jidong , Zhu Jiaqi , Tu Yudi , Zhang Qing , Zhang Wenjing
Published: September 2024

Fast and sensitive detectors for weak light are crucial in various fields like real‐time monitoring, medical diagnosis, and astronomy. However, photodetectors using 2D materials face challenges in achieving both a low detection limit for weak light and fast response. Here, a vertical vdW graphene/indium selenide (InSe)/hexagonal boron nitride (h‐BN) heterostructure on a gold electrode is provided, demonstrating an ultra‐low detection limit of 47.4 nW cm−2 and an ultra‐fast response speed of 327 ns. Vertical photodetectors feature nanoscale channel length, thus reducing scattering and recombination of carriers. The high potential barrier of multilayer h‐BN effectively blocks carrier transport, resulting in ultra‐low dark current and minimal power dissipation. Additionally, enhanced light absorption in InSe by the metal‐insulator‐semiconductor structure improves the sensitivity to weak light detection. More importantly, the built‐in field at the graphene/InSe interface can promote the separation of photo‐generated carriers to improve the collection efficiency. These factors jointly reduce the detection limit and response time simultaneously for weak light. This vertical vdW heterostructure comprising a 2D semiconductor/h‐BN offers a solution to make the majority of 2D semiconductors applicable in ultra‐fast weak light detectors.
Room‐Temperature Lasing of Dual‐Metal Nanoparticle Surface Lattice Resonance with Monolithic InGaAs Multiple Quantum Wells on GaAs Substrates
Authors: Hsieh Wen‐Hsuan , Chang Chia‐Jui , Li Cheng‐Ching , Chen Kuo‐Ping , Wu Jhih‐Sheng , Huang Chia‐Yen , Lu Tien‐Chang
Published: September 2024

This study demonstrates the surface lattice resonance (SLR) laser utilizing asymmetric dual‐metallic nanoparticle arrays, incorporating a high‐refractive‐index material, which exhibits a confinement factor of 16%, enhancing the coupling between metal and dielectric materials. Multiple quantum wells (MQWs) are integrated with plasmonic SLR in the proposed structure. Through theoretical design and experimental validation, the MQW plasmonic SLR laser exhibits excellent high Q‐factor and stable operation at room temperature. This demonstration enhances laser performance and achieves low‐threshold operation with a laser threshold as low as ≈2.39 MW cm−2. This study's design of plasmonic SLR lasers further advances the realization of optoelectronic device applications.
Selenium Attenuates Radiation Colitis by Regulating cGAS‐STING Signaling
Authors: Xue Qian , Lai Haoqiang , Zhang Haimei , Li Guizhen , Pi Fen , Wu Qifeng , Liu Siwei , Yang Fang , Chen Tianfeng
Published: September 2024

Radiation colitis is one of the most common complications in patients undergoing pelvic radiotherapy and there is no effective treatment in the clinic. Therefore, searching for effective agents for the treatment of radiation colitis is urgently needed. Herein, it is found that the essential element selenium (Se) is protective against radiation colitis through inhibiting X‐ray‐induced apoptosis, cell cycle arrest, and inflammation with the involvement of balancing the generation of reactive oxygen species after the irradiation. Mechanistically, Se, especially for selenium nanoparticles (SeNPs), induced selenoprotein expression and then functioned to effectively restrain DNA damage response, which reduced X‐ray‐induced intestinal injury. Additionally, SeNPs treatment also restrained the cyclic GMP‐AMP synthas (cGAS)‐ stimulator of interferon genes (STING)‐TBK1‐IRF3 signaling pathway cascade, thereby blocking the transcription of inflammatory cytokine gene, IL‐6 and TNF‐α, and thus alleviating inflammation. Moreover, inducing selenoprotein expression, such as GPX4, with SeNPs in vivo can regulate intestinal microenvironment immunity and gut microbiota to attenuate radiation‐induced colitis by inhibiting oxidative stress and maintaining microenvironment immunity homeostasis. Together, these results unravel a previously unidentified modulation role that SeNPs restrained radiation colitis with the involvement of inducing selenoprotein expression but suppressing cGAS‐STING‐TBK1‐IRF3 cascade.
Predicting Molecular Ordering in Deposited Molecular Films
Authors: Scherer Christoph , Kinaret Naomi , Lin Kun‐Han , Qaisrani Muhammad Nawaz , Post Felix , May Falk , Andrienko Denis
Published: September 2024

Thin films of molecular materials are commonly employed in organic light‐emitting diodes, field‐effect transistors, and solar cells. The morphology of these organic films is shown to depend heavily on the processing used during manufacturing, such as vapor co‐deposition. However, the prediction of processing‐dependent morphologies has until now posed a significant challenge, particularly in cases where self‐assembly and ordering are involved. In this work, a method is developed based on coarse‐graining that is capable of predicting molecular ordering in vapor‐deposited films of organic materials. The method is tested on an extensive database of novel and known organic semiconductors. A good agreement between the anisotropy of the refractive indices of the simulated and experimental vapor‐deposited films suggests that the method is quantitative and can predict the molecular orientations in organic films at an atomistic resolution. The methodology can be readily utilized for screening materials for organic light‐emitting diodes.
Mechanism of Defect Passivation in Sb2Se3 Solar Cells via Buried Selenium Seed Layer
Authors: Zhang Chuanjun , Jiang Ruihao , Zheng Yonghui , Li Yaozhen , Cai Zenghua , Ma Chunlan , Cheng Yan , Chu Junhao , Tao Jiahua
Published: September 2024

Quasi‐1D antimony selenide (Sb2Se3) is known for its stable phase structure and excellent light absorption coefficient, making it a promising material for high‐efficiency light harvesting. However, the (Sb4Se6)n ribbons align horizontally, increasing defect interference and limiting vertical carrier transport. Herein, a novel strategy of burying selenium (Se) seed layers to reduce lattice mismatch at the heterojunction interface, promote crystal orientation, mitigate deep donor defects, increase P‐type carrier concentration, and purify the PN junction, is proposed. Admittance spectroscopy reveals that Sb2Se3 solar cells with Se seed layers have higher activation energies for defect states and significantly lower defect densities (1.2 × 1014, 2.7 × 1014, and 1.3 × 1015 cm−3 for D1, D2, and D3) compared to an order of magnitude higher densities in Sb2Se3 solar cells without a Se seed layer. First‐principles calculations support these findings, showing that Se seed layers create a Se‐rich environment, reducing selenium vacancies (VSe), antimony on selenium sites (SbSe), and interface defects. This dual passivation mechanism suppresses defect formation and activation, increasing carrier concentration and open‐circuit voltage (VOC). Ultimately, employing this novel method, a VOC of 498.3 mV and an efficiency of 8.42%, the highest performance reported for Sb2Se3 solar cells prepared via vapor transport deposition (VTD), are achieved.
Design and Functionalization of Lignocellulose‐Derived Silicon‐Carbon Composites for Rechargeable Batteries
Authors: Li Wei , Xu Ying , Wang Guanhua , Xu Ting , Si Chuanling
Published: September 2024

Silicon/carbon (Si/C) composites present great potential as anode materials for rechargeable batteries since the materials integrate the high specific capacity and the preferable cycling stability from Si and C components, respectively. Functional Si/C composites based on lignocellulose have attracted wide attention due to the advantages from lignocellulose, including sustainability property, flexible structural tunability, and diverse physicochemical functionality. Although the flourishing development of rechargeable batteries boosts the studies on lignocellulose‐derived Si/C materials with high electrochemical performance, the publications that comprehensively clarify the design and functionalization of these high‐profile materials are still scarce. Accordingly, this review first systematically summarizes the recent advances in the structural design of lignocellulose‐derived Si/C composites after a brief clarification about the Si selection sources based on self and extraneous sources. Afterward, the functionalization strategies, including nanosizing, porosification, and magnesiothermic reduction of Si material as well as heteroatom modification of C material, are specifically highlighted. Besides, the applications of lignocellulose‐derived Si/C‐based materials in rechargeable batteries are elaborated. Finally, this review discusses the challenges and prospects of the application of lignocellulose‐derived Si/C composites for energy storage and provides a nuanced viewpoint regarding this topic.
Sensorless Human–Robot Interaction: Real‐Time Estimation of Co‐Grasped Object Mass and Human Wrench for Compliant Interaction
Authors: Bai Minghao , Zang Xizhe , Wu Lei , Li Changle , Zhu Yanhe , Zhao Jie
Published: September 2024

Human–robot physical interaction in shared object manipulation can fully leverage the strengths of both humans and collaborative robots, achieving better interaction outcomes. However, in typical physical interactions, the inertia parameters of the object are either assumed to be known or ignored, simplifying the interaction to be directly between the human and the collaborative robot. This simplification can lead to inaccuracies in the robot's understanding of human intent due to deviations in object dynamics. This article presents a method that eliminates the need for a force sensor on the human side during human–robot collaboration. Using an extended Kalman filter, the method estimates object parameters online and applies a disturbance observer to determine human force. This approach reduces human effort and improves tracking performance compared to traditional methods. It also avoids the hassle of installing and removing sensors in complex scenarios. By estimating object mass and human force in real time, the robot can adjust its behavior to ensure safer and smoother interactions. Furthermore, the system can handle various objects without requiring specific programming for each case.
Advances in Additive Manufactured Scaffolds Mimicking the Osteochondral Interface
Authors: Beeren Ivo A. O. , Dijkstra Pieter J. , Mota Carlos , Camarero‐Espinosa Sandra , Baker Matthew B. , Moroni Lorenzo
Published: September 2024

Architectural, compositional, and mechanical gradients are present in many interfacial tissues in the body. Yet desired for regeneration, the recreation of these complex natural gradients in porous scaffolds remains a challenging task. Additive manufacturing (AM) has been highlighted as a technology to fabricate constructs to regenerate interfacial tissues. Integration of different types of gradients, which can be physical, mechanical, and/or biochemical, shows promise to control cell fate and the regeneration process in a spatial controlled manner. One of the most studied tissue interfaces is the osteochondral unit which connects cartilage to bone. This tissue is often damaged because of trauma or ageing, leading to osteoarthritis; a degenerative disease and a major cause of disability worldwide. Therefore, in view of osteochondral (OC) regeneration, a state‐of‐the‐art overview of current approaches is presented to manufacture gradient scaffolds prepared by AM techniques. The focus is on thermoplastic, hydrogel, and hybrid scaffolds comprising gradients that induce biomimicry by their physical and biological properties. The effect of these different systems on OC tissue formation in‐vitro and in‐vivo is addressed. Finally, an outlook on current trends of dynamic materials is provided, including proposals on how these materials could improve the mimicry of scaffolds applied for OC regeneration.
A Novel Human Amniotic Membrane Suspension Improves the Therapeutic Effect of Mesenchymal Stem Cells on Myocardial Infarction in Rats
Authors: Li Zhaoyi , Zhang Meirong , Wang Yi , Li Yijia , Zhu Yi Zhun
Published: September 2024

Mesenchymal stem cell (MSC) therapy aids cardiac repair and regeneration, but the low rate of MSC survival and engulfment in the infarcted heart remains a major obstacle for routine clinical application. Here, an injectable suspension of human acellular amniotic membrane (HAAM) that may serve as synergistic cell delivery vehicle for the treatment of myocardial infarction (MI) by improving MSC homing and survival is developed. The results demonstrate that compared with MSC transplantation alone, HAAM‐loaded MSCs have higher survival and engraftment rates in infarcted tissue, alleviated hypoxia‐induced myocardial damage, achieved higher improvements in cardiac function, promoted angiogenesis, and reduced myocardial fibrosis. In addition, HAAM‐loaded MSCs increase N‐cadherin levels and thereby enhance the efficacy of MSCs in treating MI. This study provides a new approach for MSC‐based cardiac repair and regeneration.
Nebulized Immunotherapy of Orthotopic Lung Cancer by Mild Magnetothermal–Based Innate Immunity Activations
Authors: Chen Lizhu , Hu Ping , Fang Wenming , Wu Tong , Shi Jianlin
Published: September 2024

Advances in adaptive immunity have greatly contributed to the development of cancer immunotherapy. However, its over‐low efficacy and insufficient invasion of immune cells in the tumor tissue, and safety problems caused by cytokine storm, have seriously impeded further clinical application for solid tumor immunotherapy. Notably, the immune microenvironment of the lungs is naturally enriched with alveolar macrophages (AMs). Herein, we introduce a novel nebulized magnetothermal immunotherapy strategy to treat orthotopic lung cancer by using magnetothermal nanomaterial (Zn−CoFe2O4@Zn−MnFe2O4−PEG, named ZCMP), which can release iron ions via an acid/thermal‐catalytic reaction to maximize the use of lung‘s immune environment through the cascade activations of AMs and natural killer (NK) cells. Nebulized administration greatly enhance drug bioavailability by localized drug accumulation at the lesion site. Upon mild magnetic hyperthermia, the released iron ions catalyze endogenous H2O2 decomposition to produce reactive oxygen species (ROS), which triggers the M1 polarization of AMs, and the resultant inflammatory cytokine IFN‐β, IL‐1β and IL‐15 releases to activate c‐Jun, STAT5 and GZMB related signaling pathways, promoting NK cells proliferation and activation. This innovative strategy optimally utilizes the lung‘s immune environment and shows excellent immunotherapeutic outcomes against orthotopic lung cancer.
Water‐Soluble Aromatic Nanobelt with Unique Cellular Internalization
Authors: Günther Konstantin , Kono Hideya , Shudo Hiroki , Shimizu Daisuke , Isoda Reika , Nakamura Masayoshi , Yagi Akiko , Amaike Kazuma , Itami Kenichiro
Published: September 2024

A water‐soluble aromatic nanobelt was synthesized, and its cellular uptake behavior in HeLa cells was investigated. The late‐stage functionalization of the parent methylene‐bridged [6]cycloparaphenylene ([6]MCPP) provided an easily accessible alkyne‐functionalized nanobelt in a single reaction step. The alkyne‐substituted [6]MCPP was subjected to Cu‐catalyzed azide–alkyne cycloaddition by using a dye‐attached azide to obtain a water‐soluble aromatic nanobelt. Cell‐imaging experiments on the synthesized nanobelt in HeLa cells revealed stop‐and‐go cellular uptake dynamics. Similar experiments with control molecules and theoretical studies indicated that the unique dynamics of the nanobelt was derived from the belt‐shaped structure.
Accelerated Reversible Conversion of Li2S2 to Li2S by Spidroin Regulated Li+ Flux for High‐performance Li‐Sulfur Batteries
Authors: Liu Mingliang , Wu Zhen , Liu Shujun , Guo Tong , Chen Peng , Cao Xuan , Pan Shencheng , Zhou Tianhong , Pompizii Lea , Najafov Murad , Coskun Ali , Fu Yongsheng
Published: September 2024

Regulating the transformation of sulfur species is the key to improving the electrochemical performance of lithium‐sulfur (Li−S) batteries, in particular, to accelerate the reversible conversion between solid phase Li2S2 and Li2S. Herein, we introduced Spidroin, which is a main protein in spider silk, as a dual functional separator coating in Li−S batteries to effectively adsorb polysulfides via the sequence of amino acids in its primary structure and regulate Li+ flux through the β‐sheet of its secondary structure, thus accelerating the reversible transformation between Li2S2 and Li2S. Spidroin‐based Li−S cells exhibited an exceptional electrochemical performance with a high specific capacity of 744.1 mAh g−1 at 5 C and a high areal capacity of 7.5 mAh cm−2 at a low electrolyte‐to‐sulfur (E/S) ratio of 6 μL mgs−1 and a sulfur loading of 8.6 mgs cm−2.
Precise Synthesis of Dual‐Single‐Atom Electrocatalysts through Pre‐Coordination‐Directed in Situ Confinement for CO2 Reduction
Authors: Rao Peng , Han Xingqi , Sun Haochen , Wang Fangyuan , Liang Ying , Li Jing , Wu Daoxiong , Shi Xiaodong , Kang Zhenye , Miao Zhengpei , Deng Peilin , Tian Xinlong
Published: September 2024

Dual‐single‐atom catalysts (DSACs) are the next paradigm shift in single‐atom catalysts because of the enhanced performance brought about by the synergistic effects between adjacent bimetallic pairs. However, there are few methods for synthesizing DSACs with precise bimetallic structures. Herein, a pre‐coordination strategy is proposed to precisely synthesize a library of DSACs. This strategy ensures the selective and effective coordination of two metals via phthalocyanines with specific coordination sites, such as −F− and −OH−. Subsequently, in situ confinement inhibits the migration of metal pairs during high‐temperature pyrolysis, and obtains the DSACs with precisely constructed metal pairs. Despite changing synthetic parameters, including transition metal centers, metal pairs, and spatial geometry, the products exhibit similar atomic metal pairs dispersion properties, demonstrating the universality of the strategy. The pre‐coordination strategy synthesized DSACs shows significant CO2 reduction reaction performance in both flow‐cell and practical rechargeable Zn‐CO2 batteries. This work not only provides new insights into the precise synthesis of DSACs, but also offers guidelines for the accelerated discovery of efficient catalysts.
Simultaneous Regulation of Organic and Inorganic Components in Interphase by Fiber Separator for High‐Stable Sodium Metal Batteries
Authors: Xue Zhixin , Zhang Tao , Li Xiao , Wang Fei , Xu Guiyin , Zhu Meifang
Published: September 2024

Uncontrollable side reactions at the metal interface have been identified as the root cause of the formation of a fragile solid electrolyte interphase, leading to irreversible sodium loss in sodium metal batteries. Here, we proposed an interface engineering strategy that employed a carboxyl functionalized cellulose separator to provide strong dipole moments and induce the cleavage of P−F bond to construct a solid electrolyte interphase (SEI) rich in NaF. In addition, we employed nuclear magnetic resonance technology confirmed that the separator with strong dipole moments prevented the reduction of organic solvents by attracting electrons, thereby inhibiting the formation of organic oligomers. SEI with high NaF content and few oligomers is smooth and robust, obviously decreasing the interface impedance of the Na anode. The symmetric Na||Na cells, equipped with the functionalized separator, efficiently operated for 1400 hours with a stable 72 mV overpotential at 0.25 mA cm−2, exhibiting low energy barrier and fast ion transport kinetics. The Na||Na3V2(PO4)3 cell also showed stable cycling performance, with the capacity remaining at 94.83 % of the initial capacity after 1000 cycles at 1C. The proposed separator could control the formation and composition of SEI, paving the way for the development of long‐life sodium metal batteries.
Guest‐Induced “Breathing‐Helical” Dynamic System of a Porphyrinic Metallo‐Organic Cage for Advanced Conformational Manipulation
Authors: Dong Qiangqiang , Liu Fengxue , Wang Jun , Han Ermeng , Zhao He , Chen Bangtang , Li Kaixiu , Yuan Jie , Jiang Zhilong , Chen Mingzhao , Li Yiming , Liu Die , Lin Yifan , Wang Pingshan
Published: September 2024

Host‐guest dynamic systems in coordination‐driven metallo‐organic cages have gained significant attentions since their promising applications in chiral separation, drug delivery, and catalytical fields. To maximize guest‐binding affinity, hosts adopting multiple conformations are widely investigated on their structural flexibility for guest accommodation. In this study, a novel metallo‐organic cage S with breathing inner cavity and freely twisted side chains was proposed. Single‐crystal X‐ray diffraction analyses depicted a characteristic “breathing‐helical” dynamic system on the semiflexible framework, which led to an unprecedent co‐crystallisation of racemic and symmetric conformations via the encapsulation locking of C70 guests. By taking advantages of the high binding affinity, selective extraction of C70 was realized. This research provides new ideas for the modification on the helicities of metallo‐organic cages, which could pave a new way for advanced conformational manipulation of supramolecular host systems.
Theory‐Guided Design of Unconventional Phase Metal Heteronanostructures for Higher‐Rate Stable Li‐CO2 and Li‐Air Batteries
Authors: Zhou Jingwen , Xu Zhihang , Cui Kai , Yin Jian‐An , Chen Hsiao‐Chien , Wang Yunhao , Liu Fu , Wang Tianshuai , Hao Fengkun , Xiong Yuecheng , Wang Cheng , Ma Yangbo , Lu Pengyi , Yin Jinwen , Guo Liang , Meng Xiang , Ye Chenliang , Ming Chen Hao , Zhu Ye , Lu Jian , Fan Zhanxi
Published: September 2024

Lithium‐carbon dioxide (Li‐CO2) and Li‐air batteries hold great potential in achieving carbon neutral given their ultrahigh theoretical energy density and eco‐friendly features. However, these Li‐gas batteries still suffer from low discharging‐charging rate and poor cycling life due to sluggish decomposition kinetics of discharge products especially Li2CO3. Here we report the theory‐guided design and preparation of unconventional phase metal heteronanostructures as cathode catalysts for high‐performance Li‐CO2/air batteries. The assembled Li‐CO2 cells with unconventional phase 4H/face‐centered cubic (fcc) ruthenium‐nickel heteronanostructures deliver a narrow discharge‐charge gap of 0.65 V, excellent rate capability and long‐term cycling stability over 200 cycles at 250 mA g−1. The constructed Li‐air batteries can steadily run for above 150 cycles in ambient air. Electrochemical mechanism studies reveal that 4H/fcc Ru−Ni with high‐electroactivity facets can boost redox reaction kinetics and tune discharge reactions towards Li2C2O4 path, alleviating electrolyte/catalyst failures induced by the aggressive singlet oxygen from solo decomposition of Li2CO3.
Are convection‐permitting climate projections reliable for urban planning over Africa? A case study of Johannesburg
Authors: Keat William J. , Short Chris J. , Kendon Elizabeth J.
Published: September 2024

Cities are particularly vulnerable to surface water flooding. It is also well‐known that they influence local rainfall themselves, which has important implications for climate change adaptation planning for cities. At km‐scale resolution, convection‐permitting climate models (CPCMs) better resolve cities and should better represent local urban temperature and rainfall modifications. However, using state‐of‐the‐art pan‐African CPCM simulations with the Met Office Unified Model (CP4), we show that for the city of Johannesburg, South Africa, this is not the case. A significant enhancement of rainfall occurs over the city compared with surrounding rural areas, which is not seen in available observations. We demonstrate this is associated with an overestimated urban heat island effect, which leads to additional triggering of rainfall. Urban signals in future rainfall change are small compared with changes in the wider surroundings, the latter of which we expect to be more reliable than in models with parameterized convection. This suggests that deficiencies in representation of urban processes are of secondary importance in terms of future percentage change in rainfall. We recommend urban planners apply relative changes in CP4 as an uplift to observations, where available, or treat absolute future rainfall as an upper estimate if used directly.
Nickel‐Manganese‐Based Layered Oxide for Sodium Ion Battery Cathode Materials
Authors: Gao Yuheng , Zhang Ping , Zhang Renyuan
Published: September 2024

Sodium‐ion batteries (SIBs) have demonstrated significant potential as alternatives to conventional lithium‐ion batteries (LIBs) for modern grid and mobile energy storage applications, due to the abundant natural resources and low cost of sodium. Layered transition metal oxides (LTMOs) have attracted much attention due to their high specific capacities, energy densities as well as the compatible preparation processes with those of LIBs cathode materials. Among these, Ni/Mn‐based LTMOs (NMLOs) are particularly noteworthy for their cost‐effectiveness and superior electrochemical performance, such as excellent capacity retention, voltage stability, high operating voltage and rate capability. In this review, we briefly introduce the synthesis methods of NMLOs, discuss the challenges, and summarize the solutions. The insights presented may contribute to the development of NMLOs based SIBs.
A mixed Ce/Eu metal–organic framework for ratiometric detection of Al3+ ion
Authors: Chen Dong , Wan Yating , Li Yanping , Qin Bowen , Zhang Bing , Wang Mengyao , Cai Yarui , Li Yanxia , Li Weidong , Wang Zhenling
Published: September 2024

As a heavy metal ion, excessive aluminum ions pose a serious threat to human health and the ecological environment. Developing a simple, efficient, and fast detection method to detect the content of aluminum ions is of great significance, especially for ensuring human health and ecological safety. Herein, the mixed rare earth metal–organic framework (Ce0.74Eu0.26TPTC and Ce0.62Eu0.38TPTC) were prepared based on simple ligand 1,1′:4′,1″‐Terphenyl‐2′,4,4″,5′‐tetracarboxylic acid (H4TPTC). The Ce0.74Eu0.26TPTC and Ce0.62Eu0.38TPTC have dual luminescence centers, which can be used as ratio fluorescent probes to detect Al3+ ions, making the detection results more accurate and reliable. Therefore, this work can promote the further development of rare earth‐based MOFs in the detection of heavy metal ions.
Novel Dipeptide Inhibitors of PfPNP: In‐Silico Identification of Promising New Antimalarials
Authors: Devi Kanika , Chandra Anshuman , Chaudhuri Susmita , Kumar Goel Vijay
Published: September 2024

Malaria, an infectious disease caused by Plasmodium falciparum, is becoming increasingly difficult to treat due to the emergence of drug‐resistant strains. Recent studies have proposed purine nucleoside phosphorylase from P. falciparum (PfPNP) as a potential target for malaria treatment. In the present study, we designed a virtual library of 400 dipeptides to discover novel anti‐malarial peptide inhibitors. A structure‐based molecular docking method was employed to virtually screen the designed library against the wild‐type structure of PfPNP (PDB: 5ZNC). The best four (Phe‐Arg, Arg‐His, Trp‐Arg and Tyr‐Arg) dipeptides, which were then investigated for their binding potential against PfPNP using Molecular Dynamics simulation studies. Parameters such as RMSD, RMSF, Rg, and SASA were analyzed to understand the structural changes, energetics, and overall behavior of PfPNP‐dipeptide complexes. The PfPNP demonstrated significant stability upon binding with each of the identified dipeptides with ΔG of over −168 kcal/mol. Additionally, DFT and ADME predictions indicated that the electronic structure, energetics, and pharmacokinetic properties of Phe‐Arg, Arg‐His, Trp‐Arg and Tyr‐Arg were favourable for drug development. Our comprehensive computational investigation has identified these four dipeptides as promising candidates. These designed and selected dipeptides may further be modified using peptidomimetic and medicinal chemistry tools to develop a novel class of promising antimalarials.
Whitaker syndrome: A case report of autoimmune polyendocrine syndrome type 1 with dilated cardiomyopathy
Authors: Gohar Ali , Ahmed Bilal , Azhar Shahroz , Iqbal Aqsa , Usman Ali , Ahmad Muhammad Husnain , Ali Masab , Jawaid Muhammad Daim
Published: September 2024

Key Clinical Message

This case report highlights dilated cardiomyopathy as a cardiovascular complication in autoimmune polyendocrine syndrome type 1 (APS‐1), emphasizing the need for early recognition and a multidisciplinary approach. Comprehensive care and regular follow‐up are crucial in managing these atypical presentations to optimize patient outcomes.

APS‐1, also known as Whitaker syndrome, is characterized by a triad of mucocutaneous candidiasis, adrenal insufficiency, and hypoparathyroidism. This rare autosomal recessive disorder results from mutations in the autoimmune regulator (AIRE) gene. Cardiovascular and pulmonary manifestations in APS‐1 are infrequently reported in the literature. We present a case of a 28‐year‐old male who presented with shortness of breath and pedal edema. Physical examination revealed alopecia, absence of eyebrows, hyperpigmentation on joints, oral candidiasis, and nail dystrophy. Echocardiography demonstrated dilated cardiomyopathy (DCM) and pericardial effusion. Chest x‐ray showed left‐sided pleural effusion. Laboratory investigations revealed hypocalcemia, hyperphosphatemia, low parathyroid hormone (PTH), low cortisol, and high adrenocorticotropic hormone (ACTH) levels. The combination of chronic mucocutaneous candidiasis (CMC), hypoparathyroidism, and adrenal insufficiency confirmed the diagnosis of APS‐1. To the best of our knowledge, this is the first Pakistani and second worldwide reported case of APS‐1 presenting with such a combination of manifestations. Early recognition and multidisciplinary management are crucial for improving outcomes in these patients.
Electron Paramagnetic Resonance Analysis of Hydroquinone Polymerization Catalyzed by Small Laccase
Authors: Liu Aokun , Kuang Jian , Wei Ruotong , Zhang Zhitao , Li Jiabin , Tian Changlin , Yu Lu
Published: September 2024

Laccases are multi‐copper oxidases (MCOs) that oxidize a broad range of substrates while reducing molecular oxygen to water. Although much effort has been made to elucidate the catalytic mechanism of laccases, information about reactive catalytic intermediates during catalysis is not yet fully understood. Herein, hydroquinone (HQ) polymerization catalyzed by prokaryotic small laccase (SLAC) was investigated by electron paramagnetic resonance (EPR) spectroscopy to provide more information on the catalytic mechanism. Briefly, free radical intermediates during the catalysis were investigated by real‐time in situ EPR measurement to monitor the formation and transformation of free radicals. A paramagnetic species was identified which was attributed to a copolymer formed by hydroquinone, benzoquinone, and semiquinone radical. In addition, the low‐temperature EPR spectrum of the trinuclear copper center during catalysis not only revealed tentative rotational motion of the histidine imidazole rings coordinating the TNC upon electron uptake but also provided evidence of the formation of oxygen bridge at TNC during the reaction, represented by the observation of a new type 2 copper component featured larger g// values and smaller A// values. Together, EPR spectroscopic insights into the catalytic intermediates during enzymatic hydroquinone polymerization have extended the knowledge of the biophysical characteristics and catalytic mechanism of SLAC.
Engineering Amorphous/Crystalline Nanoflower Heterointerfaces for Enhanced Acidic Water Oxidation
Authors: Liu Chang , Zhang Bowen , Cao Rong , Cao Minna
Published: September 2024

Efficient water electrolysis for green hydrogen production relies on the development of robust oxygen evolution reaction (OER) catalysts, particularly for acidic environments. This study introduces amorphous/crystalline Mn─Ru binary oxides nanoflowers (a/c‐Mn0.9Ru0.1O2) as a promising acidic OER catalyst, synthesized via a two‐step phase engineering approach. The optimized a/c‐Mn0.9Ru0.1O2‐200 composition exhibits exceptional OER activity, requiring a low overpotential of 168 mV to achieve a current density of 10 mA/cm2 and demonstrating remarkable stability over 28 h. This significantly outperforms commercial RuO2 catalysts, which require an overpotential of 320 mV at 10 mA/cm2 and exhibit a stability of only 0.5 h under identical conditions. X‐ray absorption spectroscopy (XAS) and X‐ray photoelectron spectroscopy (XPS) analysis results reveal the formation of Mn─O─Ru linkages and an optimized d‐band electronic structure, attributed to strong electronic coupling at the amorphous/crystalline interface. This unique architecture promotes optimal adsorption/desorption of OER intermediates, leading to enhanced catalytic performance. This study offers a novel strategy for the rational design and production of efficient acidic OER catalysts.
The Role of a Redox‐Active Ligand in Cu(II)‐Nitrenoid Formation and Its Aziridination Reactivity
Authors: Mahajan Mayank , Gangwar Ushma , Mondal Bhaskar
Published: September 2024

Metal‐nitrenoid species are the key intermediate in nitrene transfer reactions. The bond formation between the open‐shell transition metal and the nitrene species dictates their overall reactivity. Herein, we present an in‐depth electronic structure investigation to uncover how the formation of a Cu(II)‐nitrenoid species is assisted by redox‐active iminosemiquinone (ISQ) ligand in the [CuII(LISQ)2] complex and impacts the nitrene transfer reactivity. The reaction energetics of the aziridination reaction between N‐tosyliminophenyliodinane and 4‐chlorostyrene is established by DFT calculations, where the formation of the Cu(II)‐nitrenoid intermediate (Int1) is found to be the rate‐determining step. Based on the natural orbital and spin populations obtained from the ab initio multiconfigurational CASSCF(13,13) calculation, the electronic nature of the elusive Cu(II)‐nitrenoid intermediate (Int1) could be formulated as “imidyl” [(LISQ)(LIBQ)CuII─•NTos] (Tos = Tosyl) species. A weak σ interaction between the Cu(II) center and the N‐atom of the nitrene moiety (Cu 20% + N 29%) involving a Cu─N distance of 1.92 Å defines the Cu‐nitrenoid bonding. The interplay between elongated Cu─N bond and high‐spin population on N‐atom (+0.96) corroborates its high nitrene transfer ability. Furthermore, the intrinsic bond orbital (IBO) analysis unravels a ligand‐to‐substrate electron transfer mechanism that facilitates the formation of the crucial Cu(II)‐nitrenoid species.
Photoinduced On and Off Polymeric Room Temperature Phosphorescence Based On Polycyclic Aromatic Hydrocarbon Isomers
Authors: Zhou Chenglin , Tian Quanchi , Ding Qiuyue , Qu Lunjun , Wang Kaiti , Tang Hailong , Yang Chaolong
Published: September 2024

As family members of polycyclic aromatic hydrocarbons, compound anthracene (Ant) and phenanthrene (Phe) as isomers are widely used in organic optical materials and electronic materials. But their photochemical and physical properties are very different. In this work, the room temperature phosphorescence (RTP) properties of PVA−B‐Ant and PVA−B‐Phe are discussed carefully which are prepared by B−O click reaction through polyvinyl alcohol (PVA) with 9‐anthraceneboronic acid (B‐Ant) and 9‐phenanthrenylboronic acid (B‐Phe), respectively. PVA−B‐Phe 1 % film exhibits excellent fluorescence (FL) emission at 374 nm and RTP emission at 523 nm with green afterglow and around 1.9 s phosphorescence lifetime. However, PVA−B‐Ant 1 % film only shows strong blue FL emission at 414 nm, and the emission intensity decreases seriously with the extension of irradiation time. Experimental and theoretical calculations results suggest that the photodimer of Ant which is formed in PVA matrix under the UV light irradiation would be competitive with the process of RTP emission. This work demonstrates that the RTP properties of organic molecules might be probably affected by the photostability of the organic phosphor under UV irradiation.
Total Synthesis of Tosyl‐Samroiyotmycin A and Its Biological Profiling
Authors: Kolb Benedikt , Schmid Fabian , Weng Jessica , Altevogt Luca , Pereira Rebelo Ruben , Wank Bianca , Baro Angelika , Zens Anna , Shekhar Aditya , Bilitewski Ursula , Sax Sibylle , Wittlin Sergio , Taylor Dale , Müller Rudolf , Laschat Sabine
Published: September 2024

A total synthesis of the enantiopure syn,syn‐tosyl‐samroiyotmycin A, a C2‐symmetric 20‐membered antimalarial macrodiolide with syn,syn‐configuration of the 8,24‐dihydroxy‐9,25‐dimethyl units and it's enantiopure anti,anti‐derivative is described. The synthesis was accomplished utilizing a linear approach in 7 steps and 3 % overall yield via a sequence of diastereoselective methylation of SuperQuat oxazolidinone auxiliary, cross metathesis and Yamaguchi macrolactonization of fully functionalized seco‐acids. By a similar approach we gained access to several samroiyotmycin analogues and precursors. Antimalarial activity was tested on multi‐resistant (K1) and sensitive (Nf54) P. falciparum strains providing insight into structure activity relationships. Both tosyl‐oxazol unit as well as the syn‐configuration of the two contiguous stereogenic centers turned out to be beneficial for antiplasmodial activity. For instance, syn,syn‐tosyl‐samroiyotmycin A showed 3.4 times higher activities than the “tosyl‐free” natural product.
Comparison of Standard and Prone‐Position Electrocardiograms in COVID‐19 Patients With Pulmonary Complications: Correlations and Implications
Authors: Makarawate Pattarapong , Chimtim Krissanachai , Mitsungnern Thapanawong , Phungoen Pariwat , Imoun Supap , Mootsikapun Piroon , Tangpaisarn Thanat , Kotruchin Praew
Published: September 2024

Background

Previous research highlighted variability in electrocardiogram (ECG) readings across patient positions, particularly in the context of COVID‐19 patients with pulmonary complications requiring prone positioning as part of the treatment.

Objective

This study aimed to elucidate the effects of prone positioning on ECG parameters and explore its association with the severity of COVID‐19.

Methods

A prospective cohort study involved 60 patients diagnosed with COVID‐19 and presenting pulmonary complications. ECGs were recorded in both supine and prone positions, and analyzed for various parameters including heart rate, QRS axis, and QTc interval. Clinical severity was assessed using APACHE II scores and SpO2/FiO2 ratios.

Results

Prone positioning led to an increase in heart rate (mean difference: 2.100, 95% CI: 0.471–3.729, p = 0.012), with minor shifts in the QRS axis. Heart rate and QRS axis demonstrated strong positive correlations between positions, with Pearson's correlation coefficients of 0.927 and 0.894, respectively. The study also found a significant association between prolonged QTc intervals in the prone position and elevated APACHE II scores, with a relative risk of 10.75 (95% CI: 1.82–63.64, p = 0.008).

Conclusions

The prone positioning caused minor yet significant changes in heart rate and QRS axis. The correlation of prolonged QTc intervals in the prone position with higher APACHE II scores suggests the prognostic relevance of prone ECG in COVID‐19 patients. However, further research is needed to fully understand the clinical implications and mechanisms of these findings.
The American Cancer Society National Lung Cancer Roundtable strategic plan: Promoting guideline‐concordant lung cancer staging
Authors: Farjah Farhood , Barta Julie A. , Wood Douglas E. , Rivera M. Patricia , Osarogiagbon Raymond U. , Smith Robert A. , Mullett Timothy W. , Rosenthal Lauren S. , Henderson Louise M. , Detterbeck Frank C. , Silvestri Gerard A.
Published: September 2024

Accurate staging improves lung cancer survival by increasing the chances of delivering stage‐appropriate therapy. However, there is underutilization of, and variability in, the use of guideline‐recommended diagnostic tests used to stage lung cancer. Consequently, the American Cancer Society National Lung Cancer Roundtable (ACS NLCRT) convened the Triage for Appropriate Treatment Task Group—a multidisciplinary expert and stakeholder panel—to identify knowledge and/or resource gaps contributing to guideline‐discordant staging and make recommendations to overcome these gaps. The task group determined the following: Gap 1: facilitators of and barriers to guideline‐concordant staging are incompletely understood; Recommendation 1: identify facilitators of and barriers to guideline‐concordant lung cancer staging; Gap 2: the level of evidence supporting staging algorithms is low‐to‐moderate; Recommendation 2: prioritize comparative‐effectiveness studies evaluating lung cancer staging; Gap 3: guideline recommendations vary across professional societies; Recommendation 3: harmonize guideline recommendations across professional societies; Gap 4: existing databases do not contain sufficient information to measure guideline‐concordant staging; Recommendation 4: augment existing databases with the information required to measure guideline‐concordant staging; Gap 5: health systems do not have a performance feedback mechanism for lung cancer staging; Recommendation 5: develop and implement a performance feedback mechanism for lung cancer staging; Gap 6: patients rarely self‐advocate for guideline‐concordant staging; Recommendation 6: increase opportunities for patient self‐advocacy for guideline‐concordant staging; and Gap 7: current health policies do not motivate guideline‐concordant lung cancer staging; Recommendation 7: organize a representative working group under the ACS NLCRT that promotes policies that motivate guideline‐concordant lung cancer staging.

Plain language summary

Staging—determining the degree of cancer spread—is important because it helps clinicians choose the best cancer treatment. Receiving the best cancer treatment leads to the best possible patient outcomes. Practice guidelines are intended to help clinicians stage patients with lung cancer. However, lung cancer staging in the United States often varies from practice guideline recommendations. This report identifies seven opportunities to improve lung cancer staging.