bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characteristics of breathing‐adapted gating using surface guidance for use in particle therapy: A phantom‐based end‐to‐end test from CT simulation to dose delivery
Authors: Qubala Abdallah , Shafee Jehad , Tessonnier Thomas , Horn Julian , Winter Marcus , Naumann Jakob , Jäkel Oliver 
Published: December 2023

AbstractTo account for intra‐fractional tumor motion during dose delivery in radiotherapy, various treatment strategies are clinically implemented such as breathing‐adapted gating and irradiating the tumor during specific breathing phases. In this work, we present a comprehensive phantom‐based end‐to‐end test of breathing‐adapted gating utilizing surface guidance for use in particle therapy. A commercial dynamic thorax phantom was used to reproduce regular and irregular breathing patterns recorded by the GateRT respiratory monitoring system. The amplitudes and periods of recorded breathing patterns were analysed and compared to planned patterns (ground‐truth). In addition, the mean absolute deviations (MAD) and Pearson correlation coefficients (PCC) between the measurements and ground‐truth were assessed. Measurements of gated and non‐gated irradiations were also analysed with respect to dosimetry and geometry, and compared to treatment planning system (TPS). Further, the latency time of beam on/off was evaluated. Compared to the ground‐truth, measurements performed with GateRT showed amplitude differences between 0.03 ± 0.02 mm and 0.26 ± 0.03 mm for regular and irregular breathing patterns, whilst periods of both breathing patterns ranged with a standard deviation between 10 and 190 ms. Furthermore, the GateRT software precisely acquired breathing patterns with a maximum MAD of 0.30 ± 0.23 mm. The PCC constantly ranged between 0.998 and 1.000. Comparisons between TPS and measured dose profiles indicated absolute mean dose deviations within institutional tolerances of ±5%. Geometrical beam characteristics also varied within our institutional tolerances of 1.5 mm. The overall time delays were <60 ms and thus within both recommended tolerances published by ESTRO and AAPM of 200 and 100 ms, respectively. In this study, a non‐invasive optical surface‐guided workflow including image acquisition, treatment planning, patient positioning and gated irradiation at an ion‐beam gantry was investigated, and shown to be clinically viable. Based on phantom measurements, our results show a clinically‐appropriate spatial, temporal, and dosimetric accuracy when using surface guidance in the clinical setting, and the results comply with international and institutional guidelines and tolerances.
Bi‐Functional Phosphine Oxide Passivator for Efficient Near‐Infrared Sn‐Based Perovskite Light‐Emitting Diodes with Ultra‐Low Efficiency Roll‐Off
Authors: Meng Yuanyuan , Guan Xiang , Weng Yalian , Lu Jianxun , Li Yuqing , Zhao Yaping , Li Mingliang , Feng Wenjing , Sun Chao , Lin Junpeng , Wei Zhanhua 
Published: December 2023

AbstractRecently, lead‐free Sn‐based perovskite light‐emitting diodes (PeLEDs) have attracted wide attention due to their near‐infrared emission and environmental friendliness. However, desired Sn2+ is easily oxidized to Sn4+ in the crystallization process, resulting in defects and intrinsically p‐doped properties in the perovskite films. The uncontrollable oxidation affects the charge injection balance and radiative recombination, leading to poor device performance. Herein, a bi‐functional conductive molecular, 2,7‐bis(diphenylphosphoryl)‐9,9′‐spirobifluorene (SPPO13) with two P═O functional groups, is used to interact with perovskite to passivate defects and suppress the oxidation of Sn2+. Moreover, the SPPO13 modification layer inserted between the perovskite emitter and the electron transport layer can regulate the carrier injection and transport, thus promoting the charge balance. As a result, the high‐performance near‐infrared CsSnI3 PeLEDs with a record external quantum efficiency (EQE) of 6.60% and ultra‐low efficiency roll‐off are achieved. The work provides a novel approach to regulate defect passivation and charge transport for efficient Sn‐based PeLEDs.
H‐Bond Modulation Mechanism for Moisture‐driven Bacteriostat Evolved from Phytochemical Formulation
Authors: Zhang Xinai , Wang Zhuanlong , Huang Xiaowei , Hu Xuetao , Li Yanxiao , Zhou Yue , Wang Xin , Zhang Roujia , Wei Xiaoou , Zhai Xiaodong , Zhang Junjun , Li Zhihua , Zhang Yang , Zou Yucheng , Shi Yongqiang , Shen Tingting , Sun Jinyuan , Kang Shifei , Shi Jiyong , Zou Xiaobo 
Published: December 2023

AbstractThe development of environment‐friendly bacteriostats in humid atmosphere is designated as a crucial step pointing to sustainable antibiotic‐free alterative. Thanks to the excellent biosafety and intrinsic bacteriostatic attributes, bioactive phytochemical formulations become a fascinating substitute for traditional antibiotics; yet, it remains a challenge to deliver them toward moisture‐activated bacteriostatic application due to the unclear release mechanism and bacteriostatic behavior. Benefitting from “green” metal–organic frameworks (MOFs) evolved from natural γ‐cyclodextrin (γ‐CD) and potassium ion (K+), an intelligent moisture‐activated phytochemical formulation is developed, which is featured by grafting bacteriostatic vanillin (a specific phytochemical extracted from Rutaceae vanilla bean) into microporous structure of MOFs via ligand implantation mechanism. According to the molecular simulation docking, the dominant pattern of host–guest structure is characteristic for H‐bond with a length of 1.9 Å, beneficial for the sterling adsorption capacity. Nevertheless, under moisture exposure, the intermolecular H‐bond is disrupted for vanillin release to destroy bacterial membrane structure, accelerate protein decomposition, and especially inhibit virulence gene transcription of cfa gene in Escherichia coli and sea gene in Staphylococcus aureus, directing to upgrade the insights into the bacteriostatic potency of phytochemicals in high‐humidity circumstance.
Nitric Oxide‐Based Nanomedicines for Conquering TME Fortress: Say “NO” to Insufficient Tumor Treatment
Authors: Xiang Yuting , Chen Qiaohui , Nan Yayun , Liu Min , Xiao Zuoxiu , Yang Yuqi , Zhang Jinping , Ying Xiaohong , Long Xingyu , Wang Shuya , Sun Jian , Huang Qiong , Ai Kelong 
Published: December 2023

AbstractAlmost all cancer treatments are significantly limited by the strong tumor microenvironment (TME) fortress formed by abnormal vasculature, dense extracellular matrix (ECM), multidrug resistance (MDR) system, and immune “cold” environment. In the huge efforts of dismantling the TME fortress, nitric oxide (NO)‐based nanomedicines are increasingly occupying a central position and have already been identified as super “strong polygonal warriors” to dismantle TME fortress for efficient cancer treatment, benefiting from NO's unique physicochemical properties and extremely fascinating biological effects. However, there is a paucity of systematic review to elaborate on the progress and fundamental mechanism of NO‐based nanomedicines in oncology from this aspect. Herein, the key characteristics of TME fortress and the potential of NO in reprogramming TME are delineated and highlighted. The evolution of NO donors and the advantages of NO‐based nanomedicines are discussed subsequently. Moreover, the latest progress of NO‐based nanomedicines for solid tumors is comprehensively reviewed, including normalizing tumor vasculature, overcoming ECM barrier, reversing MDR, and reactivating the immunosuppression TME. Lastly, the prospects, limitations, and future directions on NO‐based nanomedicines for TME manipulation are discussed to provide new insights into the construction of more applicable anticancer nanomedicines.
Building Near‐Unity Stacked (002) Texture for High‐Stable Zinc Anode
Authors: Wei Tingting , Zhang Hong , Ren Yingke , Mo Li'e , He Yi , Tan Peng , Huang Yang , Li Zhaoqian , Zhu Daming , Hu Linhua 
Published: December 2023

AbstractDendrite‐free Zn anode is the key to avoiding battery failure, which is largely determined by the crystal growth during the electrodeposition process. Therefore, controlling the specific crystal orientation growth of Zn is imperative for high‐performing aqueous zinc ion batteries. Herein, an electrocrystallization orientation regulation strategy is proposed to achieve near‐unity stacked Zn (002) texture growth. Featuring the zincophilic nature and high electronegative carboxylate radical, disodium maleate molecules tend to selectively adsorb on the Zn (002) crystal plane, forming a dynamic protection layer. This adsorption layer regulates Zn2+ diffusion along [100] and [101] orientations with the lowest deposition rate on the (002) plane, homogenizes Zn2+ flux, and keeps away water from Zn surface, constructing the flattened and horizontally arranged Zn deposition layer with dominantly Zn (002) texture and inhibited side‐reaction. Consequently, the Zn anode with near‐unity stacked (002) texture exhibits a 40‐fold enhancement in running lifetime beyond 3200 h and improved coulombic efficiency of 99.81% over 3000 cycles than that with bare ZnSO4 electrolyte. Even at harsh plating/stripping conditions of 30 and 30 mAh cm−2, the Zn anode still sustains state‐of‐the‐art stability over 120 h, enabling a substantial advance in the long‐term stability of the battery.
Deep Separation Between In(III) and Fe(III) Ions by Regulating the Lewis Basicity of Adsorption Sites on Electrospun Fibers
Authors: Li Min , Zhang Lin , Xu Damin , Cheng Nianshou , Wang Mingyue , Shao Penghui , Yang Liming , Yao Ziwei , Zhao Chun , Feng Jian , Luo Xubiao 
Published: December 2023

AbstractThe deep separation between In(III) and Fe(III) ions is considered as an important technological challenge in the engineering fields. The In(III) ions are closer to the soft acid in terms of Lewis acidity due to the smaller polarizability and greater deformability than the Fe(III) ions, which facilitates the possibility of separating them. Herein, the Lewis basicity of the N‐containing adsorption sites is regulated by the fluorine‐containing group to better match with the In(III) ions rather than Fe(III) ions, causing a significant discrepancy in the binding of the adsorption sites to them. Moreover, targeted programmed desorption techniques based on the potential energy differences of the adsorption sites can achieve the deep separation of In(III) and Fe(III) ions, and reach an exceptional concentration of 20.7 mmol L−1 for In(III) ions in the initial desorption solution with extremely high mass ratio (mIn/mFe = 151.7). This work provides a novel technique for in‐depth separation of In(III) and Fe(III) ions from mixed systems, and a new strategy for separating metal ions with similar or close properties.
Lysosome‐Inspired Enclosed and Deep Surface Decontamination Strategy for Management of Peri‐Implant Infections
Authors: Hu Xingyu , Xie Li , Xu Zhaoyu , Huo Fangjun , Shu Guoqiang , He Kun , Fan Linli , Zhang Ruitao , Liu Suru , Mai Yao , He Min , Liao Li , Tang Wei , Tian Weidong 
Published: December 2023

AbstractSurface decontamination is a crucial step in the treatment of peri‐implant infections, yet deep and mild cleansing techniques are lacking. Drawing inspiration from lysosomes, which enclose hydrolytic enzymes within their membranes to safely and effectively degrade organics within cells, the use of a near‐infrared (NIR)/H2O2‐activated TiO2‐x‐Alginate system for enclosed and deep surface decontamination is proposed. It leverages synergistically generated reactive oxygen species (ROS) to eliminate bacterial contaminants, mimicking the process of lysosomal digestion. By employing Ca2+ spray‐induced surface gelation, the TiO2‐x and H2O2 around implant surface are enclosed, creating a membrane‐like isolation. This system robustly degrades extracellular polymeric substances (EPS)‐mimic biomacromolecules, removes organic residues (OR) from both mono‐species (Staphylococcus aureus and Porphyromonas gingivalis) biofilm and polymicrobial ex vivo biofilm of peri‐implantitis, while avoiding healthy tissue irritation. Encouragingly, this system has also demonstrated powerful decontamination capabilities when applied to clinic‐retrieved infected dental implants. Notably, this technique restores the pristine implant surface topography and chemical composition, which are further revealed by the minimal inflammation response observed in macrophage culture and subcutaneous implantation. Consequently, osteoblast functionalities are effectively restored, and re‐osseointegration in vivo is also greatly enhanced. Thus, this deep decontamination strategy holds great promise for clinical applications in managing peri‐implant infections.
3D Printed Implantable Hydrogel Bioelectronics for Electrophysiological Monitoring and Electrical Modulation
Authors: Wang Fucheng , Xue Yu , Chen Xingmei , Zhang Pei , Shan Liangjie , Duan Qingfang , Xing Junfei , Lan Yang , Lu Baoyang , Liu Ji 
Published: December 2023

AbstractElectronic devices based on conducting polymer hydrogels have emerged as one of the most promising implantable bioelectronics for electrophysiological monitoring and diagnosis of a wide spectrum of diseases, in light of their distinct conductivity and biocompatibility. However, most conducting polymer hydrogels‐based bioelectronics are routinely fabricated through conventional techniques, which are challenged by its intrinsic poor processability of conducting polymers, as well as the essentially fragile biointerface, thus hampering their rapid innovation and application in advanced implantable bioelectronics. Here, 3D printable hydrogels based on poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) is reported, featuring superior 3D printability for direct ink writing (DIW), tissue‐like mechanical compliance (Young's modulus of 650 kPa), instant and tough bioadhesion (interfacial toughness of 200 J m−2 and shear strength of 120 kPa), highly‐tunable electrical properties, as well as long‐term in vitro and in vivo structural and electrochemical robustness. Electro‐physiological studies rat heart models with normal or arrhythmic conditions highlight the capabilities of establishing conformal biointerface with the dynamic organs, allowing for long‐term and high‐precision spatiotemporary epicardial electrophysiological monitoring, as well as electrical modulation of acute myocardial infarction (MI) model. These advances provide a promising strategy to improve the tissue‐electronics interfacing, and could serve as the basis for the next generation bioelectronics toward healthcare monitoring, diagnosis and medical therapies.
Dielectrophoretic Capture of Cancer‐Derived Small‐Extracellular‐Vesicle‐Bound Janus Nanoparticles via Lectin–Glycan Interaction
Authors: Choi Yonghyun , Akyildiz Kubra , Seong Jihyun , Lee Yangwoo , Jeong Eunseo , Park Jin‐seok , Lee Don Haeng , Kim Kyobum , Koo Hyung‐Jun , Choi Jonghoon 
Published: December 2023

AbstractGlycosylation is closely related to cellular metabolism and disease progression. In particular, glycan levels in cancer cells and tissues increase during cancer progression. This upregulation of glycosylation in cancer cells may provide a basis for the development of new biomarkers for the targeting and diagnosis of specific cancers. Here, they developed a detection technology for pancreatic cancer cell‐derived small extracellular vesicles (PC‐sEVs) based on lectin–glycan interactions. Lectins specific for sialic acids are conjugated to Janus nanoparticles to induce interactions with PC‐sEVs in a dielectrophoretic (DEP) system. PC‐sEVs are selectively bound to the lectin‐conjugated Janus nanoparticles (lectin–JNPs) with an affinity comparable to that of conventionally used carbohydrate antigen 19‐9 (CA19‐9) antibodies. Furthermore, sEVs‐bound Lectin–JNPs (sEVs‐Lec‐JNPs) are manipulated between two electrodes to which an AC signal is applied for DEP capture. In addition, the proposed DEP system can be used to trap the sEVs–Lec–JNP on the electrodes. Their results, which are confirmed by lectin–JNPs using the proposed DEP system followed by target gene analysis, provide a basis for the development of a new early diagnostic marker based on the glycan characteristics of PC‐sEVs. In turn, these novel detection methods could overcome the shortcomings of commercially available pancreatic cancer detection techniques.
Chiral Quantum Materials: When Chemistry Meets Physics
Authors: Wang Xia , Yi Changjiang , Felser Claudia 
Published: December 2023

AbstractChirality is a fundamental property of nature with relevance in biochemistry and physics, particularly in the field of catalysis. Understanding the mechanisms underlying chirality transfer is crucial for advancing the knowledge of chiral‐related catalysis. Chiral quantum materials with intriguing chirality‐dependent electronic properties, such as spin‐orbital coupling (SOC) and exotic spin/orbital angular momentum (SAM/OAM), open novel avenues for linking solid‐state topologies with chiral catalysis. In this review, the growth of topological homochiral crystals (THCs) is described, and their applications in heterogeneous catalysis, including hydrogen evolution reaction (HER), oxygen electrocatalysis, and asymmetric catalysis are summarized. A possible link between chirality‐dependent electronic properties and heterogeneous catalysis is discussed. Finally, existing challenges in this field are highlighted, and a brief outlook on the impact of THCs on the overarching chemical–physical research is presented.
Carbonyl Fused Organoboron Polycyclic Aromatic Hydrocarbon for Bathochromic‐Shifted Narrowband OLED
Authors: Yang Zhihai , Yang Guo‐Xi , Jiang Simin , Li Mengke , Qiu Weidong , Peng Xiaomei , Shen Chenyang , Gan Yiyang , Liu Kunkun , Li Deli , Su Shi‐Jian 
Published: December 2023

AbstractPolycyclic aromatic hydrocarbon (PAH) compounds are prospective materials for highly efficient narrowband organic light‐emitting diodes. Specifically, boron‐nitrogen doped PAHs exhibit multiple resonance (MR) effect toward thermally activated delayed fluorescence (TADF) and narrow full width at half‐maximum (FWHM). Currently, the molecular design strategy for bathochromic‐shifted narrowband MR‐TADF emitters is a hotspot and challenging puzzle. Herein, a carbonyl is fused in the boron‐nitrogen doped PAH for constructing a boron/nitrogen/carbonyl MR‐TADF emitter. Benefiting from the carbonyl, the developed emitter exhibits enhanced intramolecular charge transfer and decreased reorganization energy, which displays bathochromic‐shifted narrowband emission pertinently. As a consequence, the proof‐of‐concept compound TCZBAO achieves an emission peak at 522 nm and narrow FWHM of 39 nm, while the carbonyl‐free TCZBAC exhibits an emission peak at 502 nm and FWHM of 46 nm. Maximum external quantum efficiencies of 36.1 % and 32.4 % are realized for the devices based on TCZBAO and TCZBAC, respectively, indicating the guiding significance of the proposed design strategy for developing bathochromic‐shifted narrowband MR‐TADF emitters.
Julia‐Kocienski‐Like Connective C−C and C=C Bond‐Forming Reaction
Authors: Bon David J.‐Y. D. , Chrenko Daniel , Kováč Ondřej , Ferugová Vendula , Lasák Pavel , Fuksová Markéta , Zálešák František , Pospíšil Jiří 
Published: December 2023

AbstractIn this paper, we present a one‐pot protocol that enables a straightforward and selective transformation of alkyl benzothiazol‐2‐yl and phenyltetrazol‐2‐yl sulfones and acyl chlorides into ketones, E‐olefins, Z‐olefins, and even pyrroles. The final product of the reaction depends on the proper choice of the reaction workup. Notably, the protocol designed for olefin formation allows a switch between E‐ and Z‐olefin formation by the correct choice of the reaction workup. These developed protocols facilitate the formation of all compounds under mild reaction conditions, as evidenced by the synthesis of (nitro)‐fatty acids, and the concept can be extended to other product formations, as demonstrated by the synthesis of pyrroles.
Direct Synthesis of (E)‐β‐(Thiocyanato)vinyl Sulfones by 1,2‐Difunctionalization of Alkynes with Sulfinic Acids and Potassium Thiocyanate
Authors: Jin Haoru , Shi Wei , Zhou Chao , Li Hongji , Wang Lei , Miao Tao 
Published: December 2023

AbstractA direct thiocyanatosulfonation of alkynes with sulfinic acids and potassium thiocyanate was developed at room temperature. This method provided a efficient and practical pathway to selectively access (E)‐β‐(thiocyanato)vinyl sulfones by two C−S bonds formation in one step under metal‐free condition. The advantages of this method included simple reaction conditions, easily available starting materials, good functional group compatibility, high regio‐ and stereoselectivity and good to excellent yields of products.
Electrochemical 1,3‐Oxofluorination of Gem‐Difluoro Cyclopropanes: Approach to α‐CF3‐Substituted Carbonyl Compounds
Authors: Dutt Shiv , Kumar Rakesh , Banerjee Nakshatra , Saha Debarshi , Banerjee Prabal 
Published: December 2023

AbstractAn electrochemical methodology for the construction of α‐CF3‐substituted carbonyl compounds in moderate to good yields under exogenous metal and oxidant‐free conditions has been developed. The protocol involves the single‐electron oxidation of the aryl ring to generate a radical cation followed by a three‐electron SN2 reaction resulting in the formation of α‐CF3 substituted ketones.
Photocatalytic Oxidative Cleavage of Alkenes Followed by Carbonyl Stereoselective Bioreduction for the Synthesis of Enantioenriched Secondary Alcohols
Authors: Rodríguez‐Fernández Laura , Lavandera Iván , Gotor‐Fernández Vicente 
Published: December 2023

AbstractOxidative alkene cleavage of a series of (hetero)aryl alkyl styrenes in aqueous medium has been developed using either 9‐mesityl‐10‐methylacridinium perchlorate ([AcrMes]ClO4) and sodium anthraquinone‐2‐sulfonate (SAS) as photosensitizers under blue LED irradiation. Reaction conditions were studied to find a suitable media for the development of a linear cascade after subsequent stereoselective reduction of the corresponding ketone intermediate. The use of cesium carbonate provided an adequate pH to the reaction medium for the alcohol dehydrogenase action. [AcrMes]ClO4 was found to be the best photocatalyst, allowing the development of concurrent or sequential cascades depending on the ability of the photosensitizer to oxidize back the chiral alcohol to the ketone. Overall, the photobiocatalytic approach has allowed the synthesis of a wide number of alcohol compounds, the formation of (S)‐ or (R)‐enantiomers being attained with excellent stereoselectivity and moderate to good yields.
How to Interpret Transient Absorption Data?: An Overview of Case Studies for Application to Organic Solar Cells
Authors: Tamai Yasunari , Murata Yasuhiro , Natsuda Shin‐ichiro , Sakamoto Yuji 
Published: December 2023

AbstractTransient absorption spectroscopy (TAS) is a time‐resolved spectroscopic technique that can quantitatively observe temporal changes in the absorption spectrum associated with transient species, such as excitons and charges. Therefore, it is extensively used in photophysics, photochemistry, and photobiology. TAS plays a crucial role in unveiling charge generation and recombination dynamics in organic solar cells (OSCs). However, the interpretation of TA data is sometimes difficult for those who are not familiar with TAS. In this Perspective, therefore, the utility of TAS is briefly explained in studying OSCs and highlight key considerations for interpreting TA data. Measuring TA data at appropriate excitation fluence and appropriate spectral assignment are essential to correctly interpret photophysics of OSCs. With this Perspective, it aims to offer readers sufficient advice to enable them to perform TA measurements appropriately and interpret the TA data correctly.