bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Studies of Small Molecule Activation Using Low‐Valent Group 13 and Group 14 Elements
Authors: Jain Shailja , Vipin Raj Kakkadan , Vanka Kumar 
Published: April 2024

Abstract
The significance of small molecule activation spans diverse fields, including catalysis, medicine, and energy production. This article delves into the chemistry of low‐valent group 13 and 14 compounds as a more sustainable alternative for small molecule activation compared to the often toxic and expensive transition metal compounds. Emphasizing the pivotal role of computational chemistry, particularly density functional theory (DFT) calculations, the article explores how DFT methods contribute to comprehending and predicting various small molecule activation reactions by low‐valent group 13 and 14 compounds.
Breast cancer diagnosis through an optimization‐driven multispectral gamma correction (ODMGC)
Authors: A Arul Edwin Raj , Ahmad Nabihah Binti , S Ananiah Durai 
Published: April 2024

SummaryThe Optimization‐Driven Multispectral Gamma Correction (ODMGC) algorithm overcomes challenges in gathering subtle information and detecting cancer in dense breast thermograms. This algorithm enhances the accuracy of true positives and true negatives while minimising false negatives and false positives. The ODMGC involves a multi‐step optimisation process that categorises grey‐scale images of breast thermograms based on mean brightness. Then, based on the grey levels of the pixels, we grouped each categorisation into sub‐regions. Followed by each group has undergone individually optimised base enhancement. This process enhances the contrast between cancerous and normal tissues, eliminates over‐ and under‐enhancement, and supports breast tumour diagnosis. The optimised‐based enhancement images serve as a reference point for the histogram specification of the V component of the thermograms in the HSV (Hue, Saturation, and Value) model. Further, we evaluated the proposed model using both qualitative and quantitative measures. Finally, using dimension‐reduced significant Grey‐Level Co‐occurrence Matrix (GLCM) features, we validated the results with a Random Forest (RF) classifier. The algorithm was successfully implemented in MATLAB 2020a, and the classifier was developed in Jupyter Notebook using Python. The subjective comparison confirmed the proposed method's superior resolution in normal and malignant cases. The classifier results showed an accuracy of 96.4%, sensitivity of 98.1%, and specificity of 96.9%.
Predefined‐time adaptive fuzzy control for a class of stochastic nonlinear uncertain systems
Authors: Wu Jingyi , Wang Fang , Zhang Jing 
Published: April 2024

SummaryThis article is mainly concentrated on the predefined‐time adaptive fuzzy control of stochastic nonlinear systems. To handle nonlinear functions that are uncertain, fuzzy logic systems (FLSs) are used to approximate them. Compared with the existing studies, a Lyapunov‐type criterion for practically predefined‐time stochastic stabilization (PPSS) is put forward to guarantee the stabilization of the system. The stabilization time is merely dependent on one design parameter, which means the parameter can be adjusted to set the stability time.
Solid‐State Single‐Photon Sources: Recent Advances for Novel Quantum Materials
Authors: Esmann Martin , Wein Stephen C. , Antón‐Solanas Carlos 
Published: April 2024

AbstractIn this review, the current landscape of emergent quantum materials for quantum photonic applications is described. The review focuses on three specific solid‐state platforms: single emitters in monolayers of transition metal dichalcogenides (TMDs), defects in hexagonal boron nitride (hBN), and colloidal quantum dots in perovskites (PQDs). These platforms share a unique technological accessibility, enabling the rapid implementation of testbed quantum applications, all while being on the verge of becoming technologically mature enough for a first generation of real‐world quantum applications. The review begins with a comprehensive overview of the current state‐of‐the‐art for relevant single‐photon sources in the solid‐state, introducing the most important performance criteria and experimental characterization techniques along the way. Progress for each of the three novel materials is then benchmarked against more established (yet complex) platforms, highlighting performance, material‐specific advantages, and giving an outlook on quantum applications. This review will thus provide the reader with a snapshot on latest developments in the fast‐paced field of emergent single‐photon sources in the solid‐state, including all the required concepts and experiments relevant to this technology.
Harnessing Photo‐to‐Thermal Conversion in Sulfur‐Vulcanized Mxene for High‐Efficiency Solar‐to‐Carbon‐Fuel Synthesis
Authors: Chen Yahui , Lin Xinyu , Li Wanhe , Sun Hongyang , Jia Shuhan , Zhou Yiying , Hao Yue , Liu Zhonghuan , Yin Shikang , Guo Chengqi , Sun Yuming , Huo Pengwei , Li Chunxiang , Ng Yun Hau , Crittenden John , Zhu Zhi , Yan Yan 
Published: April 2024

AbstractHarnessing solar energy for the conversion of CO2 into value‐added chemicals and fuels represents a promising strategy for sustainable development. Photo‐to‐thermal (PTT) conversion, an often‐underestimated factor, offers a remarkable approach to enhance the photocatalytic transformation of CO2, by reducing the activation energy of catalytic reactions and accelerating reaction kinetics. In order to achieve a higher energy return on investment (EROI), in this study, a sulfur‐vulcanized, multi‐layer Ti3C2 MXene is unveiled, capable of efficient sunlight‐driven CO2 photoreduction, by capitalizing on PTT conversion across the full visible‐to‐near‐infrared (NIR) spectrum. The vulcanization strategy is pivotal here, as it not only introduces an abundance of reactive sites but also extends the NIR response (peaking at 1095 nm) of MXene. The resulting rapid PTT and synergistic photo‐thermal‐catalytic CO2 reduction constitute a significant advance in this area, where CH4 (12.03 mmol g−1 h−1) and C2H4 (3.55 mmol g−1 h−1) yields are achieved with a C2+ selectivity of 29.76% under concentrated natural sunlight. This work sets a new benchmark for EROI with an average solar‐to‐carbon‐fuel (STF) conversion efficiency greater than 0.045%.
3D‐Printed Dendritic Cell Vaccines for Post‐Surgery Cancer Immunotherapy
Authors: Xu Yangtao , Zhu Wenxiang , Wu Jicheng , Liu Lujie , Yue Ludan , Zhang Xueyang , Li Jiayi , She Peng , Yang Jingjing , Sun Chengliang , Xu Ximing , Rao Lang 
Published: April 2024

AbstractDendritic cell (DC) vaccines have shown promising effects in cancer management, while low cell activity and low migration rate to lymph nodes limit their clinical application. Here, this work reports a bioink DC vaccine, synthesized by 3D printing methacryloyl gelatin to encapsulate DCs and tumor cellular vesicles overexpressing programmed cell death protein 1 (PD1‐CVs), for cancer immunotherapy. Compared with a traditional hydrogel, the porous 3D scaffold significantly improves the viability of DCs from ∼16% to ∼70% after 7 days of cell culture and increases the proportion of released DCs from the scaffold into lymph nodes by about fourfold. The PD1‐CVs stimulate DC maturation and block PD ligand‐1 (PD‐L1) in mature DCs and tumor cells, synergistically boosting DC‐mediated antitumor immunity. In breast tumor mouse models, this personalized 3D DC vaccine developed for site‐specific filling after tumor resection significantly suppress tumor recurrence and extend median survival time to 45 days. This 3D printed vaccine offers a simple, safe, and robust strategy for enhanced cell‐based cancer immunotherapy.
Molecular Engineering of D‐π‐A Conjugate with N‐Heterocycle Purine for Enhanced ROS Generation and Photodynamic Therapy
Authors: Chen Xue , Shi Lei , Ran Xiao‐Yun , Xu Ji‐Xuan , Zhang Li‐Na , Kong Qing‐Quan , Yu Xiao‐Qi , Li Kun 
Published: April 2024

AbstractThe efficient generation of reactive oxygen species (ROS) is crucial for the photodynamic therapy (PDT) effect. The D‐π‐A molecular engineering strategy can effectively separate the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) distribution to achieve a smaller energy gap thereby facilitating ROS generation of photosensitizers (PSs). Incorporating heterocycles as π‐bridges can not only extend the conjugation system with improving the degree of π‐delocalization but also effectively accelerate the intersystem crossing process. Herein, a N‐heterocycle purine is innovatively integrated into the D‐π‐A structure as a π‐bridge, which significantly enhances the photodynamic performance by achieving high levels of Type I and Type II ROS generation. The most potent TPM‐QN2 is obtained by modulating the electron‐withdrawing ability of the acceptor (quinolinium), with a 1O2 yield of 9.32, which is the highest yield reported to date. Furthermore, these purine‐based PSs exhibit excellent capabilities in promoting cell photodynamic ablation and inhibiting tumor tissue growth. This novel approach of introducing natural heterocycles provides a promising avenue for developing high‐performance PSs and promoting tumor phototherapy.
Dual Cross‐Linked Magnetic MXene Aerogel with High Strength and Durability Enables Multifunctionality
Authors: Qiao Jing , Song Qinghua , Xuan Lixin , Liu Jiurong , Zhang Xue , Zheng Sinan , Lin Jingpeng , Cai Weiqi , Zhang Qingdong , Zeng Zhihui , Wu Na 
Published: April 2024

AbstractThe construction of lightweight yet robust, durable magnetic transition metal carbides and/or nitride (MXene) aerogels is highly desired for assembling high‐performance, multifunctional architectures. However, the fabrication and application of magnetic MXene aerogels is severely restricted by their inferior mechanical strength and poor water/oxygen resistance. Here, sustainable cellulose nanofibrils (CNFs) are employed for assisting in the physical and chemical dual cross‐linking to strongly bind the MXenes and MOF‐derived magnetic nanoparticles. The dual‐crosslinked magnetic MXene aerogels (D‐MMAs) achieve a density as low as 12 mg cm−3, and acquire a significantly improved mechanical strength of up to 1311% over physically crosslinked ones, as well as remarkably improved hydrophobicity, and oxidation stability. Furthermore, the multifunctional integration of efficient and tunable electromagnetic wave (EMW) absorption, remarkable photothermal conversion, thermal insulation, prominent oil‐water separation, thin/thick oil and dye absorption capability, and the remote magnetic controllability is accomplished. Notably, the D‐MMA performs a maximum absorption intensity of −63.9 dB, and accomplishes a specific reflection loss of −1105 dB mm−1, comparable to the best MXene‐based EMW absorbers ever reported. Given its facile, scalable, and sustainable manufacturing approach, the multifunctional D‐MMAs hold great application prospects in various fields of next‐generation electronics, special equipment protection, defense, and aerospace.
Selenium‐Based Catalysts for Efficient Electrocatalysis
Authors: Wei Yuanhao , Huang Mingtao , Wu Yonggan , Tang Xiannong , Yuan Kai , Chen Yiwang 
Published: April 2024

AbstractElectrocatalytic technology is essential to develop environmentally friendly energy technologies and to reduce dependence on non‐renewable resources. The construction of highly efficient, inexpensive, and robust electrocatalysts is the primary prerequisite to the large‐scale application of electrochemical devices. In recent years, selenium‐based catalysts (SBCs) have been extensively investigated and emerged as a promising candidate for electrocatalysis given their potential to reduce or replace the dosage of noble metals and their ability to catalyze a range of critical electrochemical processes. This Review minutely analyses the recent research advances in SBCs, highlighting the significant role of Se in enhancing the catalytic performance. First, it starts from the concepts related to SBCs, followed by the classification of SBCs as well as the strategies to regulate the activity of SBCs are elaborated. Then, the techniques for characterizing SBCs are systematically summed up, mainly focusing on morphological and structural characterization methods. Next, the applications of SBCs in various energy‐conversion reactions (e.g., hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction, nitrogen reduction reaction, CO2 reduction reaction) are discussed, aiming at elucidating the association between their structure–activity correlations. Finally, the challenges related to SBCs and their future development trends are presented.
Functional Oxidized Hyaluronic Acid Cross‐Linked Decellularized Heart Valves for Improved Immunomodulation, Anti‐Calcification, and Recellularization
Authors: Wu Yunlong , Chen Xing , Song Peng , Li Rui , Zhou Ying , Wang Qin , Shi Jiawei , Qiao Weihua , Dong Nianguo 
Published: April 2024

AbstractTissue engineering heart valves (TEHVs) are expected to address the limitations of mechanical and bioprosthetic valves used in clinical practice. Decellularized heart valve (DHV) is an important scaffold of TEHVs due to its natural three‐dimensional structure and bioactive extracellular matrix, but its mechanical properties and hemocompatibility are impaired. In this study, DHV is cross‐linked with three different molecular weights of oxidized hyaluronic acid (OHA) by a Schiff base reaction and presented enhanced stability and hemocompatibility, which could be mediated by the molecular weight of OHA. Notably, DHV cross‐linked with middle‐ and high‐molecular‐weight OHA could drive the macrophage polarization toward the M2 phenotype in vitro. Moreover, DHV cross‐linked with middle‐molecular‐weight OHA scaffolds are further modified with RGD‐PHSRN peptide (RPF‐OHA/DHV) to block the residual aldehyde groups of the unreacted OHA. The results show that RPF‐OHA/DHV not only exhibits anti‐calcification properties, but also facilitates endothelial cell adhesion and proliferation in vitro. Furthermore, RPF‐OHA/DHV shows excellent performance under an in vivo hemodynamic environment with favorable recellularization and immune regulation without calcification. The optimistic results demonstrate that OHA with different molecular weights has different cross‐linking effects on DHV and that RPF‐OHA/DHV scaffold with enhanced immune regulation, anti‐calcification, and recellularization properties for clinical transformation.
Low‐Cost Photoelectric Flow Rate Sensors Based on a Flexible Planar Curved Beam Structure for Clinical Treatments
Authors: Cao Xinfang , Li Qinlan , Li Shuang , Xu Xinkai , Wang Liyang , Wang Mengjie , Ding Bo , Bao Shengwen , Wang Shugang , Sun Bao , Cui Jingqiang , Wang Guosheng , Li Huiling , Su Yewang 
Published: April 2024

AbstractIn clinical treatments, reliable flow rate measurements ensure accurate drug delivery during infusions, precise gas delivery during artificial ventilations, etc., thereby reducing patient morbidity and mortality. However, precise flow rate sensors are costly, so medical devices with limited budgets choose cheaper but unsatisfactory flow rate measurement approaches, leading to increased medical risks. Here, a photoelectric flow rate sensor based on a flexible planar curved beam structure (FPCBS) is proposed. The FPCBS ensures low out‐of‐plane stiffness of the sensitive sheet and allows large deformation in the elastic range, enabling the flow rate sensor to measure the flow rate with high sensitivity over a wide range. Meanwhile, the flow rate sensor can be mass‐produced using mature materials and manufacturing technology at less than $5 each. The flow rate sensors are integrated into a commercial infusion pump to measure drug infusion and a home ventilator to monitor respiration. The results are comparable to those measured by a commercial flow rate sensor, demonstrating the applicability of the sensor. Considering its proven outstanding performance at low cost, the flow rate sensor shows great potential in clinical treatment, medical diagnosis, and other medical fields.
Enhancing the Thermoelectric Properties of Conjugated Polymers by Suppressing Dopant‐Induced Disorder
Authors: Wang Suhao , Zhu Wenjin , Jacobs Ian E. , Wood William A. , Wang Zichen , Manikandan Suraj , Andreasen Jens Wenzel , Un Hio‐Ieng , Ursel Sarah , Peralta Sébastien , Guan Shaoliang , Grivel Jean‐Claude , Longuemart Stéphane , Sirringhaus Henning 
Published: April 2024

AbstractDoping is a crucial strategy to enhance the performance of various organic electronic devices. However, in many cases, the random distribution of dopants in conjugated polymers leads to the disruption of the polymer microstructure, severely constraining the achievable performance of electronic devices. Here, it is shown that by ion‐exchange doping polythiophene‐based P[(3HT)1‐x‐stat‐(T)x] (x = 0 (P1), 0.12 (P2), 0.24 (P3), and 0.36 (P4)), remarkably high electrical conductivity of >400 S cm−1 and power factor of >16 µW m−1 K−2 are achieved for the random copolymer P3, ranking it among highest ever reported for unaligned P3HT‐based films, significantly higher than that of P1 (<40 S cm−1, <4 µW m−1 K−2). Although both polymers exhibit comparable field‐effect transistor hole mobilities of ≈0.1 cm2 V−1 s−1 in the pristine state, after doping, Hall effect measurements indicate that P3 exhibits a large Hall mobility up to 1.2 cm2 V−1 s−1, significantly outperforming that of P1 (0.06 cm2 V−1 s−1). GIWAXS measurement determines that the in‐plane π–π stacking distance of doped P3 is 3.44 Å, distinctly shorter than that of doped P1 (3.68 Å). These findings contribute to resolving the long‐standing dopant‐induced‐disorder issues in P3HT and serve as an example for achieving fast charge transport in highly doped polymers for efficient electronics.
Glassy Synaptic Time Dynamics in Molecular La0.7Sr0.3MnO3/Gaq3/AlOx/Co Spintronic Crossbar Devices
Authors: Shumilin Andrei , Neha Prakriti , Benini Mattia , Rakshit Rajib , Singh Manju , Graziosi Patrizio , Cecchini Raimondo , Gnoli Luca , Prezioso Mirko , Bergenti Ilaria , Dediu Valentin Alek , Riminucci Alberto 
Published: April 2024

AbstractThe development of neuromorphic devices is a pivotal step in the pursuit of low‐power artificial intelligence. A synaptic analog is one of the building blocks of this vision. The synaptic behavior of molecular La0.7Sr0.3MnO3/tris(8‐hydroxyquinolinato)gallium/AlOx/Co spintronic devices is studied, where the conductance plays the role of the synaptic weight. These devices are arranged in a crossbar configuration, the most effective architecture for the purpose. The conductance of each cross point is controlled separately by the application of voltage pulses: when set in the high conductance potentiated state, the devices show a spin‐valve magnetoresistance, while in the low conductance depressed state, no magnetoresistance is observed. The time dependence of the resistive switching behavior is an important parameter of the synaptic behavior and is very revealing of the underlying physical mechanisms. To study the time dynamics of the resistive switching after the voltage pulses, the response of the device to trains of potentiation and depression pulses, and the time‐resolved conductivity relaxation after the pulses are measured. The results are described with the conductivity model based on impurity energy levels in the organic semiconductor's gap. A flat distribution of the activation energies necessary to move these impurities is hypothesized, which can explain the observed glassy behavior.
Effective N‐Doping of Non‐Fullerene Acceptor via Sequential Deposition Enables High‐Efficiency Organic Solar Cells
Authors: Xie Meiling , Zhu Lingyun , Zhang Jianqi , Wang Tong , Li Yawen , Zhang Weichao , Fu Zhen , Zhao Guanghan , Hao Xiaotao , Lin Yuze , Zhou Huiqiong , Wei Zhixiang , Lu Kun 
Published: April 2024

AbstractCharge transport in the active layer, which can be effectively modulated by molecular doping of organic semiconductors, significantly affects the photovoltaic performance of organic solar cells (OSCs). However, it is difficult to control the dopant distribution in the bulk heterojunction (BHJ) films, which hinders efficient doping in OSCs. Herein, an effective n‐doping strategy is developed via sequential deposition (SD) of D18 donor and doped acceptor. The favorable vertical component distribution in SD films helps to optimize carrier transport pathways. The SD method confines the n‐dopant N‐DMBI to the acceptor layer, allowing positive effects of molecular doping. Consequently, the doped SD device exhibits superior charge transport with suppressed charge recombination, lower trap density, and enhanced charge extraction compared to the undoped one, resulting in a high power conversion efficiency of 19.55% for D18/L8‐BO binary OSCs. In addition, the doping does not affect the thermal stability of the devices, with the doped SD device retaining over 90% of its initial efficiency after 1200 h of heating at 80 °C. The universality of the SD doping method is also verified in other non‐fullerene acceptor systems. These results demonstrate the great potential of SD doping strategy for building high‐performance OSCs with enhanced charge transport.
Distorted Iron Oxide Quantum Dots with Unprecedented Fast‐Charging Capability for High‐Energy and High‐Power Lithium Storage
Authors: Fan Hongguang , Wang Yanpeng , Luo Yusheng , Jin Yongcheng , Liu Shuang , Wang Zhenxu , Wu Yuefeng , Cao Xiangqian , Lei Jiale , Liu Wei 
Published: April 2024

AbstractHigh‐energy lithium‐ion storage devices that can be used at high rates are the eternal pursuit in electrical vehicles and various other applications. However, existing anode materials are difficult to achieve the desired fast‐charging reaction. Here, a new type of distorted iron oxide quantum dots is reported containing abundant crystallographic defects and edge dislocations encapsulated in carbon (d‐Fe2O3 QDs@C). When used as the anode, it achieves nearly complete six‐electron reaction close to the theoretical capacity. More importantly, it harvests exceptional fast‐charging capability, delivering over half of the capacity (475 mAh g−1) in <1 min. Even at its fastest, the distorted structure can still harvest 182 mAh g−1 within just 7 s, far outperforming all existing Fe‐based anodes and is unprecedented. Theoretical calculations reveal that the exceptional fast‐charging characteristic originates from the optimized ion adsorption and significantly reduced ion migration energy barrier, thus ensuring that the electrode can still effectively operate at ultra‐large currents. This promotional effect is further verified by ex situ characterization. Besides, the constructed lithium‐ion capacitor also exhibits prominent energy/power output with excellent stability. These findings emphasize the superiority of distorted structure in fast‐charging capability and afford novel insights into the development of next‐generation high performance electrodes.