bluuebunny/crossref_metadata_2025_split huggingface dataset:
Motion‐Adaptive Tessellated Skin Patches With Switchable Adhesion for Wearable Electronics
Authors: Choi Geonjun , Kim Jaeil , Kim Hyunjoong , Bae Haejin , Kim Baek‐Jun , Lee Hee Jin , Jang Hyejin , Seong Minho , Tawfik Salah M. , Kim Jae Joon , Jeong Hoon Eui 
Published: October 2024

AbstractSkin‐interfaced electronics have emerged as a promising frontier in personalized healthcare. However, existing skin‐interfaced patches often struggle to simultaneously achieve robust skin adhesion, adaptability to dynamic body motions, seamless integration of bulky devices, and on‐demand, damage‐free detachment. Here, a hybrid strategy that synergistically combines these critical features within a thin, flexible patch platform is introduced. This design leverages shape memory polymers (SMPs) arranged in a tessellated array, comprising both rigid and compliant SMPs. This configuration enables exceptional deformability, motion adaptability, and ultra‐strong, repeatable skin adhesion while offering on‐demand adhesion control. Furthermore, the design facilitates the seamless integration of bulky electronics without compromising skin adhesion. By incorporating sizeable electronics including signal acquisition circuits, sensors, and a battery, it is demonstrated that the proposed tessellated patch can be securely mounted on the skin, accommodate dynamic body motions, precisely detect physiological signals with an outstanding signal‐to‐noise ratio (SNR), wirelessly transmit data, and be effortlessly released from the skin.
Balancing Potassiophilicity and Catalytic Activity of Artificial Interface Layer for Dendrite‐Free Sodium/Potassium Metal Batteries
Authors: Deng Wenjie , Yu Zuxi , Yang Hai , Chen Zhihao , Zheng Jiale , He Zixu , Shao Yu , Jiao Shuhong , Tao Xinyong , Shen Yanbin , Wu Xiaojun , Yu Yan 
Published: October 2024

AbstractPotassium metal batteries (PMBs), with high energy density and low cost, are considered a promising option for grid‐scale energy storage systems. However, challenges such as the uneven nucleation of K and instability of the solid electrolyte interphase (SEI) layer result in dendrite growth and poor cyclic performance, limiting practical application. To address them, constructing an artificial interface layer with rich defects can enhance the potassium affinity and promote the uniform nucleation of potassium, yet this can also catalyze electrolyte to decompose, leading to unstable SEI formation and poor cycle stability. Herein, a carbon layer with a locally ordered structure (SC‐1600) is constructed as the artificial interface to achieve a balance between K affinity and catalytic activity. This optimized design allows for the uniform nucleation of potassium metal and the formation of a dense SEI layer. SC‐1600@K symmetric cell can operate for 2000 h at 0.5 mA cm−2 with a capacity of 0.5 mAh cm−2, and the developed full cell shows a high capacity retention of 78% after 1500 cycles at 1 A g−1. Besides, SC‐1600@Na effectively extend the life of sodium metal batteries. This work provides a new insight for the construction of efficient K metal artificial interface layer.
Iron‐Catalyzed Reductive Coupling of Nitro Compounds with Grignard and Organozinc Reagents for Synthesis of Functionalized Secondary Amines
Authors: Hata Takeshi , Nishi Koki , Goto Daiki , Tatsumi Yuta , Kobayashi Shoma , Shigeta Masayuki , Urabe Hirokazu 
Published: October 2024

AbstractThe treatment of nitro compounds with Grignard reagents in the presence of a catalytic amount of FeCl2/t‐BuMgCl produced various types of secondary amines in good yields. This reductive coupling most likely involves the compatibility of functional groups such as chlorine, benzyl ether, olefin, and acetylene. Moreover, the corresponding poly‐substituted amines were not observed under these conditions. When the Grignard reagents were replaced with organozinc reagents, functionalized secondary amines containing ester and nitrile groups were obtained in good yields.
Assessment of Thermoelectric Properties of Bi2Se3: Insights from Hybrid Functional Studies, Strain Engineering, and Machine Learning Methodology
Authors: Kurian Elavunkel Vipin , Padhan Prahallad 
Published: October 2024

AbstractThermoelectric properties in topological insulator Bi2Se3 are explored with multifaceted strategies, i.e., hybrid functional with strain and artificial intelligence methodology. The assessment with the experimental band gap values recognizes the limitations of conventional functional and the effectiveness of screened hybrid functionals. A thorough investigation into the impact of biaxial and uniaxial strain on thermoelectric parameters uncovers distinctive behaviors in n‐type and p‐type Bi2Se3, providing insights into optimal strain conditions for improved performance. Furthermore, the studies on the role of topologically non‐trivial surface states (TNSS) in thermoelectric properties reveal that TNSS significantly dominate electronic transport. Dual scattering time approximation elucidates the segregation of thermoelectric transport contributions from bulk and surface states, highlighting the importance of controlling the relaxation time ratio for enhanced thermoelectric performance. Additionally, the prediction of thermoelectric properties using Random Forest and Neural Networks models showcase impressive agreement with density functional theory predictions across varying temperatures, offering a powerful tool for understanding complex temperature‐dependent trends in thermoelectric properties. In summary, this interdisciplinary study presents a unique approach to advancing the understanding and optimization of thermoelectric properties in Bi2Se3. It provides a comprehensive framework for tailoring material behavior for diverse thermoelectric applications.
Investigation of the Electronic Structure in GaAs/AlxGa1‐xAs Quantum Dots with Four Electrons
Authors: Çakır Bekir , Yakar Yusuf , Özmen Ayhan 
Published: October 2024

AbstractIn this paper, a detailed analysis of the electronic structure of four‐electron quantum dots is performed with finite confinement potential by a modified variational optimization approach based mainly on the quantum genetic algorithm and the Hartree‐Fock‐Roothaan method. For the ground and higher excited configurations, our analysis covers a range of parameters like the average energies of ground and excited states, singlet and triplet state energies, orbital energies, and two‐electron Coulomb and exchange interaction energies. One‐electron kinetic energy, the Coulomb potential energy between electrons and impurity, the confinement potential energy for the electrons, and the probability of finding an electron inside or outside the quantum well are also studied. The results demonstrate that both spatial confinement and the height of the potential barrier have a pronounced effect on all energies in the strong and intermediate confinement regions, but this influence weakens significantly in large dot radii. The most substantial difference between singlet and triplet energies occurs in the 1s22s2p configurations, with this difference decreasing in higher configurations. Significant increases in the 1s and 2s orbital energies are observed at the dot radii where the 2p, 3d, and 4f electrons from the outermost orbit begin to penetrate the well.
Homo‐Nuclear Hetero‐Atomic Conjugated Reticular Oligomers for Heterojunction: A Novel “Electron Medium” for Panel Photoelectrocatalysis
Authors: Zhang Ruijuan , Zhang Boying , Liu Haining , Jewell Linda , Liu Xinying , Qiao Shanlin 
Published: October 2024

AbstractA substantial challenge in employing covalent organic frameworks (COFs) for photoelectrochemical (PEC) water splitting lies in improving their solution‐processability while concurrently facilitating the transfer of charges and mass to the catalytic sites. Herein, we synthesize a solution‐processable conjugated reticular oligomers (CROs), and further embed ruthenium (Ru) into the CRO, forming a CRO‐Ru with homo‐nuclear hetero‐atomic. Thereafter, CRO and CRO‐Ru construct an organic–organic heterojunction membrane at the nanoscale. This design achieves perfect lattice matching, significantly reducing the energy barrier of mass transfer, and effectively lowering the recombination rate of charge carriers. The optimized photocathode, CuI/CRO‐Bpy:CRO‐Bpy‐Ru‐1:1+P3HT/SnO2/Pt, exhibits an efficiency of 111.0 µA cm−2 at 0.4 V versus a reversible hydrogen electrode (RHE). Compared with the original bulk COFs and CROs, the efficiency is significantly improved. The apparent improvements in charge carrier separation and transfer are responsible for the high PEC activity. In the heterojunction, the incorporation of CRO‐Bpy‐Ru with a longer excited‐state lifetime and a substantial built‐in electric field has effectively accelerated the photo‐induced electron transfer from the conduction band (CB) of CRO‐Bpy to the valence band (VB) of CRO‐Bpy‐Ru, effectively suppressing the recombination of charges. These findings offer significant guidance for the design and optimization of high‐performance photoelectrochemical catalysts.
Enhancement of Single‐Molecule Magnet Properties by Manipulating Intramolecular Dipolar Interactions
Authors: Huang Jia‐Qi , Chen Qi‐Wei , Ding You‐Song , Zhu Xiao‐Fei , Wang Bing‐Wu , Pan Feng , Zheng Zhiping 
Published: October 2024

AbstractA new single‐molecule magnet (SMM) complex [K(18‐crown‐6)][(COT)Er(µ‐Cl)3Er(COT)] (Er2Cl3, COT = cyclooctatetraenide dianion) is obtained by the reaction of [(COT)Er(µ‐Cl)(THF)]2 (Er2Cl2, THF = tetrahydrofuran) with an equivalent of KCl in the presence of 18‐crown‐6. The two COT‐Er units in the newly formed complex are triply bridged by µ‐Cl ligands, leading to the “head‐to‐tail” alignment of the magnetic easy axes distinctly different from the “staggered” arrangement in the precursor complex. This structural transformation has led to significantly enhanced intramolecular dipolar interactions and a reduced transverse component of the crystal fields, increasing the energy barrier from 150(8) K for Er2Cl2 to 264(4) K for Er2Cl3 and extending its magnetic relaxation time at 2 K by 2500 times with respect to Er2Cl2. More importantly, the blocking temperature increased from lower than 2 K for Er2Cl2 to 8 K for Er2Cl3, and the magnetic hysteresis loops at 2 K changed from butterfly‐shaped for Er2Cl2 to open hysteresis loop with coercive force of 7 kOe for Er2Cl3. These results suggest that the properties of SMMs can be effectively tuned and improved by rationally arranging magnetic spins via molecular engineering.
Spontaneous Cooling Enables High‐Quality Perovskite Wafers for High‐Sensitivity X‐Ray Detectors with a Low‐Detection Limit
Authors: Wu Wenyi , Zhang Jianqiang , Liu Ciyu , Zhang Jiankai , Lai Hoajie , Hu Zhongqiang , Zhou Hai 
Published: October 2024

AbstractDeveloping high‐quality perovskite wafers is essential for integrating perovskite technology throughout the chip industry chain. In this article, a spontaneous cooling strategy with a hot‐pressing technique is presented to develop high‐purity, wafer‐scale, pinhole‐free perovskite wafers with a reflective surface. This method can be extended to a variety of perovskite wafers, including organic–inorganic, 2D, and lead‐free perovskites. Besides, the size of the wafer with diameters of 10, 15, and 20 mm can be tailored by changing the mold. Furthermore, the mechanism of spontaneous cooling for improving the quality of perovskite wafers is revealed. Finally, the high‐quality lead‐free Cs3Cu2I5 perovskite wafers demonstrate excellent X‐ray detection performances with a high sensitivity of 3433.6 µC Gyair−1 cm−2 and a low detection limit of 33.17 nGyair s−1. Moreover, the Cs3Cu2I5 wafers exhibit outstanding environmental and operational stability even without encapsulation. These research presents a spontaneous cooling strategy to achieve wafer‐scale, high‐quality perovskites with mirror‐like surfaces for X‐ray detection, paving the way for integrating perovskites into electronic and optoelectronic devices and promoting the practical application of perovskite X‐ray detectors.
Scalable Metal–Organic Chemical Vapor Deposition of High Quality PtSe2
Authors: Prechtl Maximilian , Heiserer Stefan , Busch Marc , Hartwig Oliver , Ó Coileáin Cormac , Stimpel‐Lindner Tanja , Zhussupbekov Kuanysh , Lee Kangho , Zhussupbekova Ainur , Berman Samuel , Shvets Igor V. , Duesberg Georg S. 
Published: October 2024

AbstractPlatinum diselenide (PtSe2), a 2D noble metal dichalcogenide, has recently received significant attention due to its outstanding properties. It undergoes a semimetal to semiconductor transition when thinned, offers a bandgap in the infrared range, and exhibits excellent stability in ambient conditions. These properties make it a prime active material in optoelectronic and chemical sensing devices. However, there is a high demand for a synthesis method that can produce large‐scale and reliable high‐quality PtSe2. In this study, the growth of PtSe2 is presented by metal–organic vapor deposition on a variety of substrates. Comprehensive Raman, X‐ray photoelectron, and X‐ray diffraction spectroscopy, as well as scanning tunneling microscopy characterization reveals the high quality of the deposited PtSe2. Domains within the films are found to be up to several hundreds of nanometers in size, and their highly ordered crystalline structure is evident from atomic‐scale measurements. Electrical characterization demonstrates improved conductivity relative to conventional synthesis methods. This study provides fundamental guidance for the scalable synthesis and implementation of high quality PtSe2 layers with controllable thickness, offering a key requirement for the implementation of PtSe2 in future applications.
Stable LCO Cathodes Charged at 4.6 V for High Energy Secondary Li‐ion Batteries by One‐Pot Dual Metal Fluorides Coating
Authors: Harika Villa Krishna , Penki Tirupathi Rao , Fan Tianju , Elumalai Perumal , Shpigel Netanel , Aurbach Doron 
Published: October 2024

AbstractLiCoO2 (LCO) has been the cathode material of choice for three decades for durable, lightweight Li‐ion storage systems. Being charged up to 4.2 V versus Li/Li+, LCO provides excellent cycling stability with a specific capacity of ≈140 mAh g−1. Raising the cut‐off voltage to 4.6 V improves capacity by up to 60% however, it leads to rapid degradation of the cathode structure. Here, a one‐pot dual coating of MgF2 and AlF3 with fluorinated electrolyte additives achieves 190 mAh g−1 at a 0.5 C rate after 400 cycles with a capacity retention of 93%. Various analytical tools are used to follow the structural and morphological changes during cycling. Synergistically, ion transport is improved, and detrimental interfacial side reactions with the electrolyte solutions are fully mitigated. Structural stability is thus improved by using this coating, with only a little loss of the active material. This work provides a brief guideline for designing dual metal‐ion‐based surface coatings in various electrolytes to develop high‐voltage cathode systems for Li and maybe also Na batteries.
Strategically Modified Ligand Incorporating Mixed Phosphonate and Carboxylate Groups to Enhance Performance in All‐Iron Redox Flow Batteries
Authors: Nambafu Gabriel S. , Hollas Aaron M. , Rice Peter S. , Weller Jon Mark , Boglaienko Daria , Reed David M. , Sprenkle Vincent L. , Li Guosheng 
Published: October 2024

AbstractIron redox flow batteries (Fe‐RFBs) hold significant promise for achieving cost‐effectiveness and utilizing abundant materials for stationary energy storage applications. Here, a design of a novel Fe complex utilizing a nitrogenous phosphonate/carboxylate mixed ligand, N,N‐Bis(phosphonomethyl)glycine (BMPG), is presented to achieve high performance Fe anolyte. Compared to its all‐phosphonate form, nitrilotri(methylphosphonic acid) (NTMPA), the new complex Fe(BPMG)2 demonstrates a negatively shifted redox potential, resulting in ≈0.07 V (≈10%) increase in battery output voltage. Full battery testing paired with ferrocyanide catholyte demonstrates stable cycling (capacity degradation <0.0001%/cycle) over 730 consecutive charge/discharge cycles with Coulombic Efficiency of 100% at a current density of 20 mA cm−2 under near neutral pH (≈8). Of particular interest, density functional theory (DFT) studies and operando Raman measurements provide strong evidence supporting a molecular structure in BPMG, which reveals the mixed phosphonate/carboxylate groups in BPMG maintain the octahedral coordination of the Fe ion center with phosphonates exclusively, while leaving the carboxylate unbound for both Fe(II) and Fe(III) complexes. This structural similarity between BPMG‐based Fe(II) and Fe(III) complexes effectively mitigates the slow redox reaction kinetics observed in Fe(NTMPA)2 anolyte, where significant ligand reorientation occurs between Fe(II) and Fe(III) complexes.
Clinical Features of a Japanese Girl With Radio‐Tartaglia Syndrome due to a SPEN Truncating Variant
Authors: Nishi Eriko , Yanagi Kumiko , Okamoto Nobuhiko , Kaname Tadashi 
Published: October 2024

ABSTRACTRadio‐Tartaglia syndrome (RATARS) (MIM#619312) is a genetic disorder caused by heterozygous truncating variants of SPEN on chromosome 1p36. This syndrome is extremely rare, with only 34 cases reported to date. RATARS is characterized by developmental delay, hypotonia, and intellectual disability. In this study, we report a Japanese girl with psychomotor delay, hypotonia, and facial features resembling Down syndrome (DS). We identified a de novo heterozygous pathogenic variant of SPEN and diagnosed her with RATARS. The patient was born at 38 weeks and 1 day of gestational age, weighing 2598 g, without respiratory or feeding difficulties. We first considered DS as a differential diagnosis based on the developmental delay with hypotonia and facial features, including an upslanted palpebral fissure, hypertelorism, epicanthus folds, and a low nose; however, it was ruled out after cytogenetic testing. Microarray analysis revealed no pathogenic aberrations. We performed trio‐based whole exome sequencing and identified a recurrent pathogenic variant of SPEN:NM_015001.3:c.6223_6227del, p.(Ser2075GlufsTer46). Although some features of RATARS have been reported to be similar to those of 1p36 deletion syndrome, facial similarity to DS was a characteristic of our case. Whether this feature is unique to the patient or relatively common in individuals with RATARS should be discussed further as more cases of individuals with RATARS are reported.
Family Lore, a Variant of Uncertain Significance, and CADASIL
Authors: Duarte Rhys , Vossaert Liesbeth , Darilek Sandra A. , Rose Chelsi , Schauer Evan , Parobek Christian , Bland Emily , Machol Keren , Mizerik Elizabeth , Murali Chaya N. 
Published: October 2024

ABSTRACTAn infant presents in extremis. After the medical team stabilizes him, the race is on to figure out why he got so sick in the first place. The consulting genetics team thinks that it is unlikely his problems are due to a genetic cause, but his extreme, confounding presentation is enough to justify trio exome sequencing. When the results reveal an unexpected, paternally inherited variant of uncertain significance (VUS) in NOTCH3, fresh questions arise. The infant's presenting symptoms and descriptive diagnoses, including hematemesis, epistaxis, and gastric ulcers, certainly do not fit the mold of CADASIL. However, closer inspection of his family history yields tantalizing clues: a father and paternal grandfather with seizures, and a paternal grandfather with unexplained mood disturbances in middle age. Combining details gleaned from the family history and medical literature, the clinical genetics and laboratory genetics team collaborated, reclassified the VUS as likely pathogenic, and offered a new unifying diagnosis to explain much of the family's lore.
Recent Progress on Organic Electron Donors (OEDs) Enabled Radical Reactions
Authors: Shao Yu , Jia Xiaodong 
Published: October 2024

AbstractOver the past few decades, organic transformations facilitated by small organic molecules have witnessed considerable advancements. Small organic molecules have been widely applied to the construction of various skeletons. However, reduction as one of the fundamental reactions is generally initiated by metal‐containing reducing agents, although the initial progress of organic electron donors (OEDs) enabled reductive cleavage of some chemical bonds had been achieved in 1990s. Due to their structural diversity and tunability, OEDs can overcome the limitations of metal‐based reducing agents, such as low selectivity and poor functional group tolerance as well as the environmental problems caused by substantial inorganic waste after reactions. Building on a brief historical overview of OED research, this review focuses on the rencent advancements of the OEDs promoted radical reactions. It covers the reduction of C−X (X=C, O, N etc.) single bonds, radical cyclization, intermolecular radical addition to unsaturated bonds, radical coupling, functionalization of aromatics, and C−H bond activation. Additionally, the mechanistic insights of the typical reactions are highlighted for well understanding of the reaction mode involving OEDs.
Biomarkers of endothelial dysfunction and cognition: A two‐step IPD meta‐analysis
Authors: Beran Magdalena , Jansen Willemijn J. , Oomens Julie E. , Moonen Justine E. F. , Slagboom P. Eline , Huisman Martijn , Kok Almar A. L. , Nooyens Astrid C. J. , Verschuren Wilhelmina Maria Monique , Stehouwer Coen D. A. , Schalkwijk Casper , Köhler Sebastian , Beekman Marian , Slagboom Pieternella Eline , Wolters Frank J. , Ikram M. Arfan , Vallerga Costanza L. , van Meurs Joyce B. J. , Ghanbari Mohsen , Vonk Jet M. J. , Geerlings Mirjam I. , van Sloten Thomas T. , Schram Miranda T. ,   the NCDC Consortium
Published: October 2024

AbstractINTRODUCTIONThis study assessed the association of plasma biomarkers of endothelial dysfunction with cognitive performance and decline.METHODSData from 9414 individuals from eight Dutch cohorts were included (Ø age‐range: 57–93 years). Plasma biomarkers of endothelial dysfunction (soluble intercellular adhesion molecule‐1 (sICAM‐1), soluble vascular cell adhesion molecule‐1 (sVCAM‐1), soluble E‐selectin) were combined into a standardized composite score. Cognitive outcomes included executive function, processing speed, immediate and delayed memory, attention, and language. Linear regressions and linear mixed models were run in the individual cohorts and standardized coefficients were subsequently pooled using random‐effects meta‐analyses.RESULTSA higher endothelial dysfunction composite score was cross‐sectionally associated with worse performance on executive function, processing speed, delayed memory, and attention, but not immediate memory or language (pooled β‐range: −0.04, −0.02). We found no association with change in cognition over time.DISCUSSIONThis comprehensive two‐step, individual participant data (IPD) meta‐analysis showed a small, consistent cross‐sectional association between endothelial dysfunction and worse cognitive performance across multiple domains but no support for a longitudinal association.Highlights
Prior evidence on endothelial dysfunction (ED) biomarkers and cognition is conflicting.
This two‐step, individual participant data (IPD) meta‐analysis used data from eight Dutch cohorts.
ED was consistently associated with concurrent cognition.
ED was not associated with a change in cognition over time.
The association of ED with current cognition may be generic.