bluuebunny/crossref_metadata_2025_split huggingface dataset:
Calculation of Melting Temperature Using Nonequilibrium Thermodynamic Integration Methods
Authors: Nguyen Cao Thang , Ho Duc Tam , Ho Viet Hung , Kim Sung Youb 
Published: January 2024

AbstractMelting temperature is a fundamental material property and is defined as the temperature at which the solid and liquid phases have the same free energy. However, there is no systematic study employing atomic simulations to calculate melting temperature using this definition. Here, molecular dynamics simulations and nonequilibrium thermodynamic integration methods are combined to calculate the melting temperature of Al and Cu. Results show that to accurately obtain the melting temperature, the model size should be considered carefully because the free energies of both solid and liquid phases are inversely proportional to the model size, causing a model size dependence on the calculated melting temperature. In addition, the melting temperature for various (semi‐) empirical potential models for Al and Cu is calculated and verified against experimental values to provide guidelines for the choice of potential models for simulation‐based problems relevant to the solid–liquid phase transformation.
Reprogrammable Metamaterial Processors for Soft Machines
Authors: Jiao Zhongdong , Hu Zhenhan , Dong Zeyu , Tang Wei , Yang Huayong , Zou Jun 
Published: January 2024

AbstractSoft metamaterials have attracted extensive attention due to their remarkable properties. These materials hold the potential to program and control the morphing behavior of soft machines, however, their combination is limited by the poor reprogrammability of metamaterials and incompatible communication between them. Here, printable and recyclable soft metamaterials possessing reprogrammable embedded intelligence to regulate the morphing of soft machines are introduced. These metamaterials are constructed from interconnected and periodically arranged logic unit cells that are able to perform compound logic operations coupling multiplication and negation. The scalable computation capacity of the unit cell empowers it to simultaneously process multiple fluidic signals with different types and magnitudes, thereby allowing the execution of sophisticated and high‐level control operations. By establishing the laws of physical Boolean algebra and formulating a universal design route, soft metamaterials capable of diverse logic operations can be readily created and reprogrammed. Besides, the metamaterials' potential of directly serving as fluidic processors for soft machines is validated by constructing a soft latched demultiplexer, soft controllers capable of universal and customizable morphing programming, and a reprogrammable processor without reconnection. This work provides a facile way to create reprogrammable soft fluidic control systems to meet on‐demand requirements in dynamic situations.
Coupling of Perinuclear Actin Cap and Nuclear Mechanics in Regulating Flow‐Induced Yap Spatiotemporal Nucleocytoplasmic Transport
Authors: Ma Tianxiang , Liu Xiao , Su Haoran , Shi Qiusheng , He Yuan , Wu Fan , Gao Chenxing , Li Kexin , Liang Zhuqing , Zhang Dongrui , Zhang Xing , Hu Ke , Li Shangyu , Wang Li , Wang Min , Yue Shuhua , Hong Weili , Chen Xun , Zhang Jing , Zheng Lisha , Deng Xiaoyan , Wang Pu , Fan Yubo 
Published: January 2024

AbstractMechanical forces, including flow shear stress, govern fundamental cellular processes by modulating nucleocytoplasmic transport of transcription factors like Yes‐associated Protein (YAP). However, the underlying mechanical mechanism remains elusive. In this study, it is reported that unidirectional flow induces biphasic YAP transport with initial nuclear import, followed by nuclear export as actin cap formation and nuclear stiffening. Conversely, pathological oscillatory flow induces slight actin cap formation, nuclear softening, and sustained YAP nuclear localization. To elucidate the disparately YAP spatiotemporal distribution, a 3D mechanochemical model is developed, which integrates flow sensing, cytoskeleton organization, nucleus mechanotransduction, and YAP transport. The results unveiled that despite the significant localized nuclear stress imposed by the actin cap, its inherent stiffness counteracts the dispersed contractile stress exerted by conventional fibers on the nuclear membrane. Moreover, alterations in nuclear stiffness synergistically regulate nuclear deformation, thereby governing YAP transport. Furthermore, by expanding the single‐cell model to a collective vertex framework, it is revealed that the irregularities in actin cap formation within individual cells have the potential to induce topological defects and spatially heterogeneous YAP distribution in the cellular monolayer. This work unveils a unified mechanism of flow‐induced nucleocytoplasmic transport, providing a linkage between transcription factor localization and mechanical stimulation.
Phosphoproteomic Characterization and Kinase Signature Predict Response to Venetoclax Plus 3+7 Chemotherapy in Acute Myeloid Leukemia
Authors: Jin Jie , Hou Shangyu , Yao Yiyi , Liu Miaomiao , Mao Liping , Yang Min , Tong Hongyan , Zeng Tao , Huang Jinyan , Zhu Yinghui , Wang Huafeng 
Published: January 2024

AbstractResistance to chemotherapy remains a formidable obstacle in acute myeloid leukemia (AML) therapeutic management, necessitating the exploration of optimal strategies to maximize therapeutic benefits. Venetoclax with 3+7 daunorubicin and cytarabine (DAV regimen) in young adult de novo AML patients is evaluated. 90% of treated patients achieved complete remission, underscoring the potential of this regimen as a compelling therapeutic intervention. To elucidate underlying mechanisms governing response to DAV in AML, quantitative phosphoproteomics to discern distinct molecular signatures characterizing a subset of DAV‐sensitive patients is used. Cluster analysis reveals an enrichment of phosphoproteins implicated in chromatin organization and RNA processing within DAV‐susceptible and DA‐resistant AML patients. Furthermore, kinase activity profiling identifies AURKB as a candidate indicator of DAV regimen efficacy in DA‐resistant AML due to AURKB activation. Intriguingly, AML cells overexpressing AURKB exhibit attenuated MCL‐1 expression, rendering them receptive to DAV treatment and maintaining them resistant to DA treatment. Moreover, the dataset delineates a shared kinase, AKT1, associated with DAV response. Notably, AKT1 inhibition augments the antileukemic efficacy of DAV treatment in AML. Overall, this phosphoproteomic study identifies the role of AURKB as a predictive biomarker for DA, but not DAV, resistance and proposes a promising strategy to counteract therapy resistance in AML.
Integrated Ink Printing Paper Based Self‐Powered Electrochemical Multimodal Biosensing (IFP−Multi) with ChatGPT–Bioelectronic Interface for Personalized Healthcare Management
Authors: Xiong Chuanyin , Dang Weihua , Yang Qi , Zhou Qiusheng , Shen Mengxia , Xiong Qiancheng , An Meng , Jiang Xue , Ni Yonghao , Ji Xianglin 
Published: January 2024

AbstractPersonalized healthcare management is an emerging field that requires the development of environment‐friendly, integrated, and electrochemical multimodal devices. In this study, the concept of integrated paper‐based biosensors (IFP−Multi) for personalized healthcare management is introduced. By leveraging ink printing technology and a ChatGPT–bioelectronic interface, these biosensors offer ultrahigh areal‐specific capacitance (74633 mF cm−2), excellent mechanical properties, and multifunctional sensing and humidity power generation capabilities. More importantly, the IFP−Multi devices have the potential to simulate deaf‐mute vocalization and can be integrated into wearable sensors to detect muscle contractions and bending motions. Moreover, they also enable monitoring of physiological signals from various body parts, such as the throat, nape, elbow, wrist, and knee, and successfully record sharp and repeatable signals generated by muscle contractions. In addition, the IFP−Multi devices demonstrate self‐powered handwriting sensing and moisture power generation for sweat‐sensing applications. As a proof‐of‐concept, a GPT 3.5 model‐based fine‐tuning and prediction pipeline that utilizes recorded physiological signals through IFP−Multi is showcased, enabling artificial intelligence with multimodal sensing capabilities for personalized healthcare management. This work presents a promising and ecofriendly approach to developing paper‐based electrochemical multimodal devices, paving the way for a new era of healthcare advancements.
A Bioorthogonal Antidote Against the Photosensitivity after Photodynamic Therapy
Authors: Xue Evelyn Y. , Yang Caixia , Zhou Yimin , Ng Dennis K. P. 
Published: January 2024

AbstractAs an effective and non‐invasive treatment modality for cancer, photodynamic therapy (PDT) has attracted considerable interest. With the recent advances in the photosensitizing agents, the fiber‐optic systems, and other aspects, its application is extended to a wide range of superficial and localized cancers. However, for the few clinically used photosensitizers, most of them suffer from the drawback of causing prolonged photosensitivity after the treatment. As a result, post‐PDT management is also a crucial issue. Herein, a facile bioorthogonal approach is reported that can effectively suppress this common side effect of PDT in nude mice. It involves the use of an antidote that contains a black‐hole quencher BHQ‐3 conjugated with a bicyclo[6.1.0]non‐4‐yne (BCN) moiety and a tetrazine‐substituted boron dipyrromethene‐based photosensitizer. By using tumor‐bearing nude mice as an animal model, it is demonstrated that after PDT with this photosensitizer, the administration of the antidote can effectively quench the photodynamic activity of the residual photosensitizer by bringing the BHQ‐3 quencher close to the photosensitizing unit through a rapid click reaction. It results in substantial reduction in skin damage upon light irradiation. The overall results demonstrate that this simple and facile strategy can provide an effective means for minimizing the photosensitivity after PDT.
Dock5 Deficiency Promotes Proteinuric Kidney Diseases via Modulating Podocyte Lipid Metabolism
Authors: Qu Hua , Liu Xiufei , Zhu Jiaran , Xiong Xin , Li Lu , He Qingshan , Wang Yuren , Yang Guojun , Zhang Linlin , Yang Qingwu , Luo Gang , Zheng Yi , Zheng Hongting 
Published: January 2024

AbstractPodocytes are particularly sensitive to lipid accumulation, which has recently emerged as a crucial pathological process in the progression of proteinuric kidney diseases like diabetic kidney disease and focal segmental glomerulosclerosis. However, the underlying mechanism remains unclear. Here, podocytes predominantly expressed protein dedicator of cytokinesis 5 (Dock5) is screened to be critically related to podocyte lipid lipotoxicity. Its expression is reduced in both proteinuric kidney disease patients and mouse models. Podocyte‐specific deficiency of Dock5 exacerbated podocyte injury and glomeruli pathology in proteinuric kidney disease, which is mainly through modulating fatty acid uptake by the liver X receptor α (LXRα)/scavenger receptor class B (CD36) signaling pathway. Specifically, Dock5 deficiency enhanced CD36‐mediated fatty acid uptake of podocytes via upregulating LXRα in an m6A‐dependent way. Moreover, the rescue of Dock5 expression ameliorated podocyte injury and proteinuric kidney disease. Thus, the findings suggest that Dock5 deficiency is a critical contributor to podocyte lipotoxicity and may serve as a promising therapeutic target in proteinuric kidney diseases.
SpyDirect: A Novel Biofunctionalization Method for High Stability and Longevity of Electronic Biosensors
Authors: Guo Keying , Grünberg Raik , Ren Yuxiang , Chang Tianrui , Wustoni Shofarul , Strnad Ondrej , Koklu Anil , Díaz‐Galicia Escarlet , Agudelo Jessica Parrado , Druet Victor , Castillo Tania Cecilia Hidalgo , Moser Maximilian , Ohayon David , Hama Adel , Dada Ashraf , McCulloch Iain , Viola Ivan , Arold Stefan T. , Inal Sahika 
Published: January 2024

AbstractElectronic immunosensors are indispensable tools for diagnostics, particularly in scenarios demanding immediate results. Conventionally, these sensors rely on the chemical immobilization of antibodies onto electrodes. However, globular proteins tend to adsorb and unfold on these surfaces. Therefore, self‐assembled monolayers (SAMs) of thiolated alkyl molecules are commonly used for indirect gold–antibody coupling. Here, a limitation associated with SAMs is revealed, wherein they curtail the longevity of protein sensors, particularly when integrated into the state‐of‐the‐art transducer of organic bioelectronics—the organic electrochemical transistor. The SpyDirect method is introduced, generating an ultrahigh‐density array of oriented nanobody receptors stably linked to the gold electrode without any SAMs. It is accomplished by directly coupling cysteine‐terminated and orientation‐optimized spyTag peptides, onto which nanobody‐spyCatcher fusion proteins are autocatalytically attached, yielding a dense and uniform biorecognition layer. The structure‐guided design optimizes the conformation and packing of flexibly tethered nanobodies. This biolayer enhances shelf‐life and reduces background noise in various complex media. SpyDirect functionalization is faster and easier than SAM‐based methods and does not necessitate organic solvents, rendering the sensors eco‐friendly, accessible, and amenable to scalability. SpyDirect represents a broadly applicable biofunctionalization method for enhancing the cost‐effectiveness, sustainability, and longevity of electronic biosensors, all without compromising sensitivity.
Gradual Coordination and Reversible P–P Bond Activation of a P3‐Unit with Transition Metal Carbonyls
Authors: Franz Roman , Gál Dalma , Bruhn Clemens , Kelemen Zsolt , Pietschnig Rudolf 
Published: January 2024

AbstractCoordination of a stereochemically defined P3‐chain to a series of transition metal carbonyls [M(CO)x]z− (M = Mn (x = 5, z = 1), Fe (x = 4, z = 2) or Co (x = 4, z = 1)) is explored using a [3]ferrocenophane scaffold. A gradual transition from η1‐, η2‐ to η3‐coordination is observed where in the η2‐mode the terminal positions of the phosphorus chain are bridged. With an excess of cobalt carbonyl successive P–P bond activation and gradual separation of the central phosphorus atoms from the phosphorus chain has been observed. This process is reversible and with suitable reagents such as methyl lithium, the P3‐unit is regenerated in stereospecific manner. The bonding situation and steps of the gradual P–P bond activation are investigated by DFT calculations as well as experimental methods (e.g., NMR spectroscopy, X‐ray crystallography).
Mind In Vitro Platforms: Versatile, Scalable, Robust, and Open Solutions to Interfacing with Living Neurons
Authors: Zhang Xiaotian , Dou Zhi , Kim Seung Hyun , Upadhyay Gaurav , Havert Daniel , Kang Sehong , Kazemi Kimia , Huang Kai‐Yu , Aydin Onur , Huang Raymond , Rahman Saeedur , Ellis‐Mohr Austin , Noblet Hayden A. , Lim Ki H. , Chung Hee Jung , Gritton Howard J. , Saif M. Taher A. , Kong Hyun Joon , Beggs John M. , Gazzola Mattia 
Published: January 2024

AbstractMotivated by the unexplored potential of in vitro neural systems for computing and by the corresponding need of versatile, scalable interfaces for multimodal interaction, an accurate, modular, fully customizable, and portable recording/stimulation solution that can be easily fabricated, robustly operated, and broadly disseminated is presented. This approach entails a reconfigurable platform that works across multiple industry standards and that enables a complete signal chain, from neural substrates sampled through micro‐electrode arrays (MEAs) to data acquisition, downstream analysis, and cloud storage. Built‐in modularity supports the seamless integration of electrical/optical stimulation and fluidic interfaces. Custom MEA fabrication leverages maskless photolithography, favoring the rapid prototyping of a variety of configurations, spatial topologies, and constitutive materials. Through a dedicated analysis and management software suite, the utility and robustness of this system are demonstrated across neural cultures and applications, including embryonic stem cell‐derived and primary neurons, organotypic brain slices, 3D engineered tissue mimics, concurrent calcium imaging, and long‐term recording. Overall, this technology, termed “mind in vitro” to underscore the computing inspiration, provides an end‐to‐end solution that can be widely deployed due to its affordable (>10× cost reduction) and open‐source nature, catering to the expanding needs of both conventional and unconventional electrophysiology.
Inch‐Scale Freestanding Single‐Crystalline BiFeO3 Membranes for Multifunctional Flexible Electronics
Authors: Qiu Ruibin , Peng Bin , Zhang Jiaxuan , Guo Yunting , Liu Haixia , Wang Xianlei , Tang Haowen , Dong Guohua , Zhao Yanan , Jiang Zhuang‐De , Liu Ming , Hu Zhongqiang 
Published: January 2024

AbstractFlexible electronics strongly demand the integration of flexible and large‐scale multifunctional oxides. BiFeO3 is one of the most essential multifunctional oxides that could be used in memories, logics, sensors, and actuators. Recently, freestanding single‐crystalline BiFeO3 membranes exhibited superior elasticity and flexibility. However, fabrication and integration of large‐scale freestanding BiFeO3 membranes into flexible electronics remain elusive. In this study, inch‐scale freestanding single‐crystalline BiFeO3 membranes are fabricated with assistance from a water‐soluble sacrificial layer. To transfer flat and crack‐free membranes, all the existing methods are first followed but fail. Then the study introduces a temporary supporting Cu layer on the surface of the as‐grown SiTiO3/Sr3Al2O6/(SrRuO3/)BiFeO3 heterostructure and successfully obtains full and crack‐free 5 mm × 5 mm freestanding membranes on various substrates. The residual strain within the heterostructure releases gradually under the protection of the Cu layer. The freestanding BiFeO3 membranes are relatively uniform among different regions and exhibit good dielectric, ferroelectric, and ferromagnetic properties. Finally, flexible ferroelectric photovoltaic devices are patterned based on those BiFeO3 membranes, and they have open circuit voltage and short circuit current density up to −0.25 ± 0.03 V and 0.82 ± 0.09 µA cm−2, respectively.
Hybrid 3D‐Ordered Membrane Electrode Assembly (MEA) with Highly Stable Structure, Enlarged Interface, and Ultralow Ir Loading by Doping Nano TiO2 Nanoparticles for Water Electrolyzer
Authors: Liu Yiyang , Tian Bin , Ning Fandi , Li Yali , Zhao Chengyan , He Can , Wen Qinglin , Dan Xiong , Chai Zhi , Li Wei , Shen Min , He Lei , Li Wenxian , Zhou Xiaochun 
Published: January 2024

AbstractProton exchange membrane water electrolysis (PEMWE) is a very promising and sustainable hydrogen production technology. Currently, there is a growing interest in achieving ordered structures within membrane electrode assembly (MEA) for PEMWE. However, both ordered electron conductor and ordered proton conductor structures are single component structure, which still have many shortcomings. In this work, a hybrid ordered membrane electrodes assembly based on cone‐shaped is constructed Nafion array with rough surface by introducing TiO2 nanoparticles to Nafion emulsion. As a result, this hybrid ordered MEA achieves a high surface roughness of 3.39 nm that is 2.64 times higher than that of ordered MEA without TiO2 nanoparticles doped and current density up to 2.48 A cm−2 at 2 V with 14.4 µg cm−2 (Ir) catalyst loading. This work provides a new hybrid ordered structure for MEA and exhibits the great potential of enhancing the interfacial contact between the catalyst layer and Nafion membrane to improve PEMWE performance.
Self‐Supported Earth‐Abundant Carbon‐Based Substrates in Electrocatalysis Landscape: Unleashing the Potentials Toward Paving the Way for Water Splitting and Alcohol Oxidation
Authors: Yap Feng Ming , Loh Jian Yiing , Ng Sue‐Faye , Ong Wee‐Jun 
Published: January 2024

AbstractIn the vast realm of scientific inquiry, the pursuit of hydrogen fuel production through electrochemical water splitting offers a promising gateway to green energy generation, alleviating the challenges posed by resource scarcity. However, conventional water splitting encounters hurdles like low efficiency and the sluggish oxygen evolution reaction (OER), which prompt searchers to seek for alternative oxidation process. Significant strides are made in conventional electrocatalytic research employing polymeric binders, resulting in commendable catalytic activity and minimal electron migration resistance. Yet, a pivotal breakthrough in this rapidly evolving field lies in the innovative conception of carbon‐based self‐supported electrocatalysts, heralding a promising trajectory ahead. This review delves into the essential electro‐activity parameters to establish the property‐activity nexus, emphasizing the benefits of self‐supported carbon‐based electrodes. Noteworthy advancements are demonstrated in electrochemical hydrogen evolution reaction (HER), OER, overall water splitting (OWS), and bifunctional HER and alcohol oxidation reaction (AOR), driven by a diverse range of self‐supported electrocatalysts. These include structure‐dependent materials such as metal oxides, hydroxides/oxyhydroxides, phosphides, sulfides, selenides, nitrides, and carbides, each meticulously tailored with nuanced modifications that shape their distinctive attributes. This field also acknowledges its challenges and opportunities, providing guidance for potential research directions and inspiring interdisciplinary collaboration among scientists.
Propagation of Electron Airy Tornado Waves in Free Space and in a Uniform Magnetic Field
Authors: Tang Huilin , Tu Zhifeng , Jiang Junjie , Huang Haoyu , Zhao Jiajia , Ouyang Shigen , Yang Xiangbo , Liu Hongzhan , Wang Guanghui , Deng Dongmei 
Published: January 2024

AbstractIn this paper, a new type of structured electron beam is introduced, which is the electron Airy tornado wave (eATW) with the characteristics of abrupt auto‐focusing and rotation property in free space. It is also found that the eATWs propagate periodically in a magnetic field, and their patterns of intensity distributions show the time‐like axial symmetry about a half‐period point in a period of time. Furthermore, the influence of the magnetic field's magnitude and direction on eATWs with different parameters has also been discussed.
Engineering Biocatalysts for the C−H Activation of Fatty Acids by Ancestral Sequence Reconstruction**
Authors: Jones Bethan S. , Ross Connie M. , Foley Gabriel , Pozhydaieva Nadiia , Sharratt Joseph W. , Kress Nico , Seibt Lisa S. , Thomson Raine E. S. , Gumulya Yosephine , Hayes Martin A. , Gillam Elizabeth M. J. , Flitsch Sabine L. 
Published: January 2024

AbstractSelective, one‐step C−H activation of fatty acids from biomass is an attractive concept in sustainable chemistry. Biocatalysis has shown promise for generating high‐value hydroxy acids, but to date enzyme discovery has relied on laborious screening and produced limited hits, which predominantly oxidise the subterminal positions of fatty acids. Herein we show that ancestral sequence reconstruction (ASR) is an effective tool to explore the sequence‐activity landscape of a family of multidomain, self‐sufficient P450 monooxygenases. We resurrected 11 catalytically active CYP116B ancestors, each with a unique regioselectivity fingerprint that varied from subterminal in the older ancestors to mid‐chain in the lineage leading to the extant, P450‐TT. In lineages leading to extant enzymes in thermophiles, thermostability increased from ancestral to extant forms, as expected if thermophily had arisen de novo. Our studies show that ASR can be applied to multidomain enzymes to develop active, self‐sufficient monooxygenases as regioselective biocatalysts for fatty acid hydroxylation.