bluuebunny/crossref_metadata_2025_split huggingface dataset:
First‐Principles Study of Twin Boundaries and Stacking Faults in β‐Ga2O3
Authors: Wang Mengen , Mu Sai , Speck James S. , Van de Walle Chris G. 
Published: July 2023

AbstractThis study uses density functional theory calculations to explore the energetics and electronic structures of planar defects in monoclinic β‐Ga2O3, including twin boundaries (TBs) and stacking faults (SFs). TBs on the (001)A, (001)B, (100)A, (100)B, and (−102) planes are examined; it is found that (100)A has a very low formation energy (0.01 Jm‐2), consistent with its observation in a number of experiments. For SFs, SFs on the (100) plane have much lower energy (0.03 Jm‐2) than SFs formed on the (010) and (001) planes. Growth on a (100) surface is thus expected to result in more planar‐defect formation, again consistent with experimental observations. In spite of their higher energies, TBs and SFs on planes other than (100) have been experimentally observed in epitaxial layers. Their origins are explained in terms of coalescence of different growth regions when the growth direction changes, or when low‐energy TBs on the growing surface lead to domains with different twinning orientation.
Characterizing Mineral Ellipsoids in New Bone Formation at the Interface of Ti6Al4V Porous Implants
Authors: Deering Joseph , Chen Jianyu , Mahmoud Dalia , Tang Tengteng , Lin Yujing , Fang Qiyin , Wohl Gregory R. , Elbestawi Mohamed , Grandfield Kathryn 
Published: July 2023

AbstractThe hierarchy of newly formed bone contains elements of disorder within an ordered multiscale structure, spanning from the macroscale to below the nanoscale. With mineralized structures presenting in the shape of ellipsoids in mature and mineralizing tissue, this work characterizes the heterogeneity in the mineral ellipsoid packing at the interface of porous titanium implants. Using scanning transmission electron microscopy and plasma‐focused ion beam–scanning electron microscopy, mineral ellipsoids are characterized at the implant interface in both 2D and 3D. Heterogeneous in their size and shape within the newly formed bone tissue, ellipsoids are observed with alternating orientations corresponding to unique lamellar packets within 23 µm of the titanium implant interface—although this motif is not universal, and a mineral‐dense zone can also appear at the implant interface. Short‐order ellipsoid orientation shifts are also present in the 3D probe of the implant interface, where a ≈90° misorientation angle between neighboring packets of mineral ellipsoids (and an intervening organic layer) resolves with increasing distance from the titanium. Combined with local patches of woven‐to‐lamellar transition, the early heterogeneity and transformation of peri‐implant bone structure is a quintessential step in the development of a functional connection between implant and bone.
Morphology‐Directed Light Emission from Fluorescent Janus Colloids for Programmable Chemical‐To‐Optical Signal Transduction
Authors: Frank Bradley D. , Nagelberg Sara , Baryzewska Agata W. , Simón Marqués Pablo , Antonietti Markus , Kolle Mathias , Zeininger Lukas 
Published: July 2023

AbstractMaterials capable of dynamically and reversibly altering their emission are relevant for numerous optical applications. Here, the anisotropic morphology‐directed light emission from fluorescent Janus emulsion droplets, an intrinsically chemo‐responsive material platform, is investigated. Informed by experimental observations of morphology‐dependent optical confinement of internally emitted light within the higher refractive index phases, ray‐tracing is used to predict and fine‐tune the droplets’ optical properties and their ability to concentrate light. Theoretical prediction and closely matching experimental results show that the collection of incident light and the confinement of emitted light in the internal droplet phase due to total internal reflection both contribute to the droplets’ anisotropic light emission profile. A novel ratiometric dual‐angle fluorescence detection approach that exploits the gravitational alignment of the droplets is implemented to quantify the morphology‐dependent large‐scale chemically‐induced modulation of the anisotropic emission of droplet layers. Relevant emulsion design parameters are systematically examined to enhance the signal‐to‐noise ratio, and a second emitter is co‐compartmentalized inside the droplets to amplify the anisotropic light confinement via an absorption–emission cascade. Preferential excitation of dyes in proximity to the internal droplet interface enhances the collected light intensity, demonstrating that dye‐loaded Janus emulsion droplets function as stimuli‐responsive, tunable, fluorescent optical elements.
Exciton Fine Structure in 2D Perovskites: The Out‐of‐Plane Excitonic State
Authors: Posmyk Katarzyna , Dyksik Mateusz , Surrente Alessandro , Maude Duncan K. , Zawadzka Natalia , Babiński Adam , Molas Maciej R. , Paritmongkol Watcharaphol , Mączka Mirosław , Tisdale William A. , Plochocka Paulina , Baranowski Michał 
Published: July 2023

Abstract2D Ruddlesden‐Popper metal‐halide perovskites feature particularly strong excitonic effects, making them a fascinating playground for studying exciton physics. A complete understanding of the properties of this quasi‐particle is crucial to fully exploit the tremendous potential of 2D perovskites (2DP) in light emission applications. Despite intense investigations, some of the exciton properties remain elusive to date, for example, the energy‐ordering of the exciton states within the so‐called fine structure manifold. Using optical spectroscopy, it demonstrates that in the archetypical 2DP (PEA)2PbI4, in contradiction to theoretical predictions, the energy of the bright out‐of‐plane exciton state is higher than that of two in‐plane states. Having elucidated the order of exciton fine structure, it determines the g‐factor of the dark exciton transition, together with the values of the electron and hole g‐factors in the direction parallel to the c‐axis of the crystal. In this way, it provides for the first time, a complete picture of the exciton fine structure in (PEA)2PbI4 2DP.
Ultrafast Laser‐Induced Plasmonic Modulation of Optical Properties of Dielectrics at High Resolution
Authors: Zhu Han , Chu Lingrui , Liu Weijie , Juodkazis Saulius , Chen Feng 
Published: July 2023

AbstractThe size‐ and shape‐dependent localized surface plasmon properties of metallic nanoparticles (NPs) enable nanoscale‐enhanced near‐field applications in a wide range of fields, including spectroscopy, nonlinear optics, and sensing. Orderly assembled NPs can construct plasmonic metamaterials for light manipulation at a subwavelength scale, exhibiting new collective properties in resonant modes regulated by plasmon coupling between their fundamental components. Despite the recognition of its significant advantages in photonics integration, plasmonic‐based tailored optical responses for practical applications have remained elusive due to limitations in scaling up processes, as neither etching nor assembly can design and fabricate embedded plasmonic devices into functional devices/structures. Here, the assembly of plasmonic NPs is demonstrated by ultrafast laser‐induced writing‐on‐demand inside solids, tailoring their distribution and sizes. By controlling the laser scanning speed, the in situ redistribution of NPs is observed. Plasmon mediated local energy deposition is considered as the main mechanism driving nano‐patterning at a subwavelength range. A direct nano‐printing is realized by utilizing the resonant optical response of laser‐modified NP structures/patterns. This work paves the way for directly induced NP composite structures inside transparent materials at a well‐defined and controlled depth for plasmonic applications.
Donor–Acceptor Molecules with Locked sp3 Carbon Link for Highly Efficient Near Ultraviolet Organic Light‐Emitting Diodes
Authors: Geng Sinuo , Liu Zhangshan , Li Huihui , Zhong Ziting , Feng Xin Jiang , Zhao Zujin , Lu Hua 
Published: July 2023

AbstractTo achieve high‐performance near ultraviolet (NUV) organic light‐emitting diodes (OLEDs), highly stable and fluorescent emitters with good triplet utility are essential. The challenge in making such molecules stems from the fact that a wide bandgap and strong luminescence are two conflicting requirements. Herein, a new strategy is proposed for NUV emitters featuring donor–acceptor moieties linked by a rigid sp3 carbon atom to weaken the conjugation and reduce nonradiative processes. The resultant emitters exhibit excellent NUV luminescence, high thermal and electrochemical stabilities, and hybridized local and charge‐transfer excited‐state characteristics. A nondoped device emits NUV light (414 nm, Commission Internationale de L'eclairage coordinates [CIEx,y] = 0.157, 0.058) with a maximum luminance, current efficiency, and external quantum efficiency (EQE) of 7979 cd m−2, 2.53 cd A−1, and 6.60%, respectively. The device also shows a small efficiency roll‐off of 6.8% at 1000 cd m−2. A doped device acquires a high efficiency and color purity with a maximum EQE of 7.64%, CIEx,y of (0.158, 0.049), and emission peak of 406 nm, representing one of the best values among NUV OLEDs. This research provides an effective method to achieve high‐performance NUV OLEDs and also offers flexibility in material design.
Pulse‐Modulation Controllable Monolithic Full‐Color Semipolar GaN‐based Light Emitting Diodes
Authors: Lee Gun‐Woo , Oh Jae‐Hyeok , Lee Sung‐Nam 
Published: July 2023

AbstractMonolithic multi‐color light‐emitting diodes (LEDs) offer numerous advantages as multi‐functional lighting sources. However, the achievement of full‐color monolithic LEDs spanning from red to blue wavelengths is limited by the InN‐GaN material system. To overcome this limitation, this work demonstrates a new approach using hexagonal epitaxial lateral overgrowth to reduce the density of crystal defects and form micro‐surface structures. By utilizing arrowhead‐like surfaces in semipolar GaN films, indium incorporation can be controlled, leading to larger band‐filling effects and enabling full‐color red, green, and blue emissions from a single LED. Nonetheless, the red emission in monolithic full‐color LEDs is weaker than the blue emission due to the band‐filling induced blueshift that occurs with increasing current injection. To address this issue, pulse amplitude modulation and pulse width modulation modes are introduced to control the emission intensity from red to blue wavelengths. As a result, the study achieves a monolithic trichromatic white LED with color coordinates of (0.2985, 0.3948) and a color temperature of ≈6700 K by simultaneously emitting red, green, and blue LEDs with the same emission intensities. This achievement holds great promise for the development of high‐performance full‐color LEDs for multifunctional lighting sources that can span red, green, and blue wavelengths.
Electrophysiological In Vitro Study of Long‐Range Signal Transmission by Astrocytic Networks
Authors: Hastings Nataly , Yu Yi‐Lin , Huang Botian , Middya Sagnik , Inaoka Misaki , Erkamp Nadia A. , Mason Roger J. , Carnicer‐Lombarte Alejandro , Rahman Saifur , Knowles Tuomas P. J. , Bance Manohar , Malliaras George G. , Kotter Mark R. N. 
Published: July 2023

AbstractAstrocytes are diverse brain cells that form large networks communicating via gap junctions and chemical transmitters. Despite recent advances, the functions of astrocytic networks in information processing in the brain are not fully understood. In culture, brain slices, and in vivo, astrocytes, and neurons grow in tight association, making it challenging to establish whether signals that spread within astrocytic networks communicate with neuronal groups at distant sites, or whether astrocytes solely respond to their local environments. A multi‐electrode array (MEA)‐based device called AstroMEA is designed to separate neuronal and astrocytic networks, thus allowing to study the transfer of chemical and/or electrical signals transmitted via astrocytic networks capable of changing neuronal electrical behavior. AstroMEA demonstrates that cortical astrocytic networks can induce a significant upregulation in the firing frequency of neurons in response to a theta‐burst charge‐balanced biphasic current stimulation (5 pulses of 100 Hz × 10 with 200 ms intervals, 2 s total duration) of a separate neuronal‐astrocytic group in the absence of direct neuronal contact. This result corroborates the view of astrocytic networks as a parallel mechanism of signal transmission in the brain that is separate from the neuronal connectome. Translationally, it highlights the importance of astrocytic network protection as a treatment target.
Inaugurating High‐Throughput Profiling of Extracellular Vesicles for Earlier Ovarian Cancer Detection
Authors: Jo Ala , Green Allen , Medina Jamie E. , Iyer Sonia , Ohman Anders W. , McCarthy Eric T. , Reinhardt Ferenc , Gerton Thomas , Demehin Daniel , Mishra Ranjan , Kolin David L. , Zheng Hui , Cheon Jinwoo , Crum Christopher P. , Weinberg Robert A. , Rueda Bo R. , Castro Cesar M. , Dinulescu Daniela M. , Lee Hakho 
Published: July 2023

AbstractDetecting early cancer through liquid biopsy is challenging due to the lack of specific biomarkers for early lesions and potentially low levels of these markers. The current study systematically develops an extracellular‐vesicle (EV)‐based test for early detection, specifically focusing on high‐grade serous ovarian carcinoma (HGSOC). The marker selection is based on emerging insights into HGSOC pathogenesis, notably that it arises from precursor lesions within the fallopian tube. This work thus establishes murine fallopian tube (mFT) cells with oncogenic mutations and performs proteomic analyses on mFT‐derived EVs. The identified markers are then evaluated with an orthotopic HGSOC animal model. In serially‐drawn blood of tumor‐bearing mice, mFT‐EV markers increase with tumor initiation, supporting their potential use in early cancer detection. A pilot clinical study (n = 51) further narrows EV markers to five candidates, EpCAM, CD24, VCAN, HE4, and TNC. The combined expression of these markers distinguishes HGSOC from non‐cancer with 89% sensitivity and 93% specificity. The same markers are also effective in classifying three groups (non‐cancer, early‐stage HGSOC, and late‐stage HGSOC). The developed approach, for the first time inaugurated in fallopian tube‐derived EVs, could be a minimally invasive tool to monitor women at high risk of ovarian cancer for timely intervention.
The Role of Transition Metals on Chemo‐Mechanical Instabilities in Prussian Blue Analogues For K‐Ion Batteries: The Case Study on KNHCF Versus KMHCF
Authors: Li Zheng , Ozdogru Bertan , Bal Batuhan , Bowden Mark , Choi Austin , Zhang Yizhi , Wang Haiyan , Murugesan Vijayakumar , Pol Vilas G. , Çapraz Ömer Özgür 
Published: July 2023

AbstractPrussian blue analogues (PBAs) cathodes can host diverse monovalent and multivalent metal ions due to their tunable structure. However, their electrochemical performance suffers from poor cycle life associated with chemo‐mechanical instabilities. This study investigates the driving forces behind chemo‐mechanical instabilities in Ni‐ and Mn‐based PBAs cathodes for K‐ion batteries by combining electrochemical analysis, digital image correlation, and spectroscopy techniques. Capacity retention in Ni‐based PBA is 96% whereas it is 91.5% for Mn‐based PBA after 100 cycles at C/5 rate. During charge, the potassium nickel hexacyanoferrate (KNHCF) electrode experiences a positive strain generation whereas the potassium manganese hexacyanoferrate (KMHCF) electrode undergoes initially positive strain generation followed by a reduction in strains at a higher state of charge. Overall, both cathodes undergo similar reversible electrochemical strains in each charge–discharge cycle. There is ~0.80% irreversible strain generation in both cathodes after 5 cycles. XPS studies indicated richer organic layer compounds in the cathode‐electrolyte interface (CEI) layer formed on KMHCF cathodes compared to the KNHCF ones. Faster capacity fades in Mn‐based PBA, compared to Ni‐based ones, is attributed to the formation of richer organic compounds in CEI layers, rather than mechanical deformations. Understanding the driving forces behind instabilities provides a guideline to develop material‐based strategies for better electrochemical performance.
Materials Space‐Tectonics: Atomic‐level Compositional and Spatial Control Methodologies for Synthesis of Future Materials
Authors: Eguchi Miharu , Han Minsu , Asakura Yusuke , Hill Jonathan P. , Henzie Joel , Ariga Katsuhiko , Rowan Alan E. , Chaikittisilp Watcharop , Yamauchi Yusuke 
Published: July 2023

AbstractReactions occurring at surfaces and interfaces necessitate the creation of well‐designed surface and interfacial structures. To achieve a combination of bulk material (i.e., framework) and void spaces, a meticulous process of “nano‐architecting” of the available space is necessary. Conventional porous materials such as mesoporous silica, zeolites, and metal–organic frameworks lack advanced cooperative functionalities owing to their largely monotonous pore geometries and limited conductivities. To overcome these limitations and develop functional structures with surface‐specific functions, the novel materials space‐tectonics methodology has been proposed for future materials synthesis. This review summarizes recent examples of materials synthesis based on designing building blocks (i.e., tectons) and their hybridization, along with practical guidelines for implementing materials syntheses and state‐of‐the‐art examples of practical applications. Lastly, the potential integration of materials space‐tectonics with emerging technologies, such as materials informatics, is discussed.
Pore Modulation of Hydrogen‐Bonded Organic Frameworks for Efficient Separation of Propylene
Authors: Cai Youlie , Gao Junkuo , Li Jing‐Hong , Liu Puxu , Zheng Yanchun , Zhou Wei , Wu Hui , Li Libo , Lin Rui‐Biao , Chen Banglin 
Published: July 2023

AbstractDeveloping hydrogen‐bonded organic frameworks (HOFs) that combine functional sites, size control, and storage capability for targeting gas molecule capture is a novel and challenging venture. However, there is a lack of effective strategies to tune the hydrogen‐bonded network to achieve high‐performance HOFs. Here, a series of HOFs termed as HOF‐ZSTU‐M (M=1, 2, and 3) with different pore structures are obtained by introducing structure‐directing agents (SDAs) into the hydrogen‐bonding network of tetrakis (4‐carboxyphenyl) porphyrin (TCPP). These HOFs have distinct space configurations with pore channels ranging from discrete to continuous multi‐dimensional. Single‐crystal X‐ray diffraction (SCXRD) analysis reveals a rare diversity of hydrogen‐bonding models dominated by SDAs. HOF‐ZSTU‐2, which forms a strong layered hydrogen‐bonding network with ammonium (NH4+) through multiple carboxyl groups, has a suitable 1D “pearl‐chain” channel for the selective capture of propylene (C3H6). At 298 K and 1 bar, the C3H6 storage density of HOF‐ZSTU‐2 reaches 0.6 kg L−1, representing one of the best C3H6 storage materials, while offering a propylene/propane (C3H6/C3H8) selectivity of 12.2. Theoretical calculations and in situ SCXRD provide a detailed analysis of the binding strength of C3H6 at different locations in the pearl‐chain channel. Dynamic breakthrough tests confirm that HOF‐ZSTU‐2 can effectively separate C3H6 from multi‐mixtures.
Highly Efficient Biomass Upgrading by a Ni−Cu Electrocatalyst Featuring Passivation of Water Oxidation Activity
Authors: Chen Dexin , Ding Yunxuan , Cao Xing , Wang Linqin , Lee Husileng , Lin Gaoxin , Li Wenlong , Ding Guoheng , Sun Licheng 
Published: July 2023

AbstractElectricity‐driven organo‐oxidations have shown an increasing potential recently. However, oxygen evolution reaction (OER) is the primary competitive reaction, especially under high current densities, which leads to low Faradaic efficiency (FE) of the product and catalyst detachment from the electrode. Here, we report a bimetallic Ni−Cu electrocatalyst supported on Ni foam (Ni−Cu/NF) to passivate the OER process while the oxidation of 5‐hydroxymethylfurfural (HMF) is significantly enhanced. A current density of 1000 mA cm−2 can be achieved at 1.50 V vs. reversible hydrogen electrode, and both FE and yield keep close to 100 % over a wide range of potentials. Both experimental results and theoretical calculations reveal that Cu doping impedes the OH* deprotonation to O* and hereby OER process is greatly passivated. Those instructive results provide a new approach to realizing highly efficient biomass upgrading by regulating the OER activity.
Green pathway to the synthesis of some spirooxindole derivatives using NGO/PMA as a new and effective solid acid catalyst
Authors: Palizi Narjes , Moradi Leila 
Published: July 2023

Heteropoly acids as nontoxic, dual Lewis–Brønsted acids with high thermal stability can develop acid‐catalyzed reactions. Combining these catalysts with other materials is of great interest to enhance their efficiency and capability. Despite all the outstanding properties of heteropoly acids, their solubility in water and most organic solvents limits their application. So, in presented research, immobilization of phosphomolybdic acid (PMA) on prepared N‐doped graphene oxide (NGO/PMA) was done to synthesize a solid acid, green and effective catalyst for the multicomponent synthesis of three kinds of spirooxindole structures. The preparation of new NGO‐based solid acid catalyst was performed through a three‐step method and identified by FTIR, TEM, mapping elemental analysis, SEM, EDX, and XRD techniques. Reusability of the catalyst, short reaction times (1:20–2 h), green condition, and easy workup as well as high yield of products (90–95%) are some merits of this research.
Beating heart cells: Using cultured cardiomyocytes to study cellular structure and contractility in laboratory exercises
Authors: Asmus Stephen E. , Wells Collin K. , Montalvo Hanna M. 
Published: July 2023

AbstractHeart muscle cells, or cardiomyocytes, exhibit intrinsic contractility in vitro. We found that commercially‐available mammalian cardiomyocytes serve as an excellent model system for studying the cytoskeleton and cellular contractility, fundamental topics in undergraduate cell and molecular biology courses. Embryonic rat cardiomyocytes were plated on cell culture dishes or glass coverslips and visualized using an inverted phase‐contrast microscope. The cardiomyocytes began contracting within 1–2 days after plating and continued to contract for many weeks, allowing their use in multiple laboratory sessions. Following background reading and instruction, students fixed and triple‐stained the cardiomyocytes to examine the relative distributions of actin filaments and microtubules and the position of nuclei. Analysis and image capture with fluorescence microscopy provided striking examples of highly organized cytoskeletal elements. Students then designed experiments in which cardiomyocyte intrinsic contractility was explored. Changes in contraction rates were examined after treatment with signaling molecules, such as epinephrine. The addition of epinephrine to the culture medium, within a usable concentration window, increased the rate of contraction. These adaptable exercises provide undergraduate cell and molecular biology students with the exciting opportunity to study cardiomyocytes using standard cell culture and microscopy techniques.