bluuebunny/crossref_metadata_2025_split huggingface dataset:
Growth of Large‐Sized 2D Ultrathin SnSe Crystals with In‐Plane Ferroelectricity
Authors: Chiu Ming‐Hui , Ji Xiang , Zhang Tianyi , Mao Nannan , Luo Yue , Shi Chuqiao , Zheng Xudong , Liu Hongwei , Han Yimo , Wilson William L. , Luo Zhengtang , Tung Vincent , Kong Jing 
Published: February 2023

AbstractTin (II) selenide (SnSe) is an emerging 2D material with many intriguing properties, such as record‐high thermoelectric figure of merit (ZT), purely in‐plane ferroelectricity, and excellent nonlinear optical properties. To explore these functional properties and related applications, a crucial step is to develop controllable routes to synthesize large‐area, ultrathin, and high‐quality SnSe crystals. Physical vapor deposition (PVD) constitutes a reliable method to synthesize 2D SnSe, however, effects of various growth parameters have not yet been systematically investigated, and current PVD‐synthesized flakes are often thick (>10 nm) with small lateral sizes (<10 µm). In this work, high‐quality 2D SnSe crystals are synthesized via low‐pressure PVD, which display in‐plane ferroelectric domains observed by piezoresponse force microscopy and polarization‐dependent reflection spectroscopy. Detailed studies regarding the roles of various parameters are further carried out, including substrate pre‐annealing, growth duration, temperature, and pressure, which enable to rationally optimize the growth and obtain 2D SnSe crystals with lateral sizes up to ≈23.0 µm and thicknesses down to ≈2.0 nm (3–4 layers). This work paves the way for the controlled growth of large‐area 2D SnSe, facilitating the future exploration of many interesting multiferroic properties and applications with atomic thickness.
Improved Robustness against Magnetic Field in Spin–Orbit‐Torque‐Based Physical Unclonable Functions through Write‐Back Operation
Authors: Koh Daekyu , Kang Jaimin , Kim Taehwan , Lee Jisung , Noh Sujung , Lee Hansaem , Kwon JoonHyun , Lee Soogil , Park Jongsun , Park Byong‐Guk 
Published: February 2023

AbstractPhysical unclonable functions (PUFs), which exploit uncontrollable and unpredictable randomness of materials or devices, have been investigated as a hardware‐based security primitive owing to their robustness against adversarial attacks. Spin–orbit torque (SOT) switching is one of the promising techniques for PUF applications because it can provide randomness by the stochastic switching distribution of perpendicular magnetization. In this study, the improvement in the reliability of SOT‐based PUFs against external magnetic fields with write‐back operation (WBO) is demonstrated. A PUF consisting of 8 × 4 array Hall‐bar devices with a Ta/CoFeB/MgO structure is fabricated, where the random distribution of the SOT switching current serves as an entropy source. However, the information stored in the PUF is easily modified by the application of an external magnetic field. To improve the robustness against magnetic fields, a WBO is introduced that applies an additional current to saturate the magnetization in either the upward or downward direction depending on the magnetic state. As a result, the SOT‐based PUF maintains an entropy value close to unity under a magnetic field of up to the coercive field of the CoFeB layer. Furthermore, the WBO provides a digitalized output, which potentially reduces peripheral circuitry such as analog‐to‐digital converters.
Co:BaTiO3/Sn:BaTiO3 Heterostructure Thin‐Film Capacitors with Ultrahigh Energy Density and Breakdown Strength
Authors: Choi Je Oh , Kim Tae Yeon , Park Seong Min , Seol WooJun , Joh Hyunjin , Anoop Gopinathan , Jo Ji Young 
Published: February 2023

AbstractFerroelectric (FE) capacitors exhibiting ultrahigh power densities are widely utilized as electrostatic energy storage devices in pulsed electronic devices. One approach to maximize the discharge energy density (Ud) of capacitors is to increase the breakdown strength (Eb) accompanied with high maximum polarization (Pm) while suppressing the energy loss. However, the inverse relationship between Eb and Pm challenges the simultaneous enhancement of Eb and Ud. To overcome this limitation, FE/relaxor FE (RFE) heterostructure capacitors composed of Co‐doped BaTiO3 (BTCO) and Sn‐doped BaTiO3 (BTS) epitaxial thin film layers to decouple the Eb and Pm values are fabricated and the simultaneous enhancement of the Eb and Ud up to 7.9 MV cm−1 and 117 J cm−3, respectively is achieved. The high Eb and Ud values can be attributed to the suppression of the leakage current at the BTCO/BTS interface, a narrower hysteresis loop contributed by the BTS, and high Pm and Eb from the BTCO layer. Additionally, the BTCO/BTS heterostructure capacitors exhibit excellent fatigue endurance of up to 108 cycles and are thermal stable even at 160 °C. Through properly designing the FE and RFE layers, thermally stable and reliable FE/RFE heterostructure capacitors exhibiting high Ud and Eb can be realized.
Polymer‐Based n‐Type Yarn for Organic Thermoelectric Textiles
Authors: Darabi Sozan , Yang Chi‐Yuan , Li Zerui , Huang Jun‐Da , Hummel Michael , Sixta Herbert , Fabiano Simone , Müller Christian 
Published: February 2023

AbstractA conjugated‐polymer‐based n‐type yarn for thermoelectric textiles is presented. Thermoelectric textile devices are intriguing power sources for wearable electronic devices. The use of yarns comprising conjugated polymers is desirable because of their potentially superior mechanical properties compared to other thermoelectric materials. While several examples of p‐type conducting yarns exist, there is a lack of polymer‐based n‐type yarns. Here, a regenerated cellulose yarn is spray‐coated with an n‐type conducting‐polymer‐based ink composed of poly(benzimidazobenzophenanthroline) (BBL) and poly(ethyleneimine) (PEI). The n‐type yarns display a bulk electrical conductivity of 8 × 10−3 S cm−1 and Seebeck coefficient of −79 µV K−1. A promising level of air‐stability for at least 13 days can be achieved by applying an additional thermoplastic elastomer coating. A prototype in‐plane thermoelectric textile, produced with the developed n‐type yarns and p‐type yarns, composed of poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)‐coated regenerated cellulose, displays a stable device performance in air for at least 4 days with an open‐circuit voltage per temperature difference of 1 mV °C−1. Evidently, polymer‐based n‐type yarns are a viable component for the construction of thermoelectric textile devices.
Immune cell counts in cerebrospinal fluid predict cognitive function in aging and neurodegenerative disease
Authors: Snyder Allison , Grant Harli , Chou Austin , Lindbergh Cutter A. , Kramer Joel H. , Miller Bruce L. , Elahi Fanny M. 
Published: February 2023

AbstractIntroductionImmune dysfunction is important in aging and neurodegeneration; lacking clinically available tools limits research translation. We tested associations of cerebral spinal fluid (CSF) monocyte‐to‐lymphocyte ratio (MLR)—innate immune activation surrogate—with cognition in an aging and dementia cohort, hypothesizing that elevated MLR is associated with poorer executive functioning.MethodsCSF MLR was calculated in well‐characterized, genotyped participants enrolled in studies of aging and dementia at University of California, San Francisco Memory and Aging Center (n = 199, mean age 57.5 years, SD 11.9). Linear models tested associations with episodic memory and executive function (verbal fluency, speeded set‐shifting).ResultsAging was associated with higher CSF monocyte, lower lymphocyte counts, and higher MLRs (p < 0.001). MLR was associated with verbal fluency (p < 0.05) only.DiscussionUsing clinical labs, we show an inverse association between CSF MLR and executive function in aging and dementia, supporting the utility of clinical labs in capturing associations between innate immune dysfunction and neurodegeneration.
Current status of active cooling, deep body temperature measurement, and face mask wearing in heat stroke and heat exhaustion patients in Japan: a nationwide observational study based on the Heatstroke STUDY 2020 and 2021
Authors: Kanda Jun , Miyake Yasufumi , Tanaka Daiki , Umehara Tadashi , Yamazaki Maiko , Harada Naoshige , Fujita Motoki , Hayashida Kei , Kaneko Hitoshi , Kobayashi Tatsuho , Miyoshi Yukari , Kishihara Yuki , Okada Yohei , Okano Yuichi , Tachino Jotaro , Takauji Shuhei , Yamaguchi Junko , Maeda Atsuo , Yokota Hiroyuki , Yokobori Shoji 
Published: February 2023

AimThe study aimed to determine the current status of face mask use, deep body temperature measurement, and active cooling in patients suffering from heat stroke and heat exhaustion in Japan.MethodsThis was a prospective, observational, multicenter study using data from the Heatstroke STUDY 2020–2021, a nationwide periodical registry of heat stroke and heat exhaustion patients. Based on the Bouchama heatstroke criteria, we classified the patients into two groups: severe and mild‐to‐moderate. We compared the outcomes between the two groups and reclassified them into two subgroups according to the severity of the illness, deep body temperature measurements, and face mask use. Cramer's V was used to determine the effect sizes for a comparison between groups.ResultsAlmost all patients in this study were categorized as having degree III based on the Japanese Association for Acute Medicine heatstroke criteria (JAAM‐HS). However, the severe group was significantly worse than the mild‐to‐moderate group in outcomes like in‐hospital death and modified Rankin Scale scores, when discharged. Heat strokes had significantly higher rates of active cooling and lower mortality rates than heat stroke‐like illnesses. Patients using face masks often use them during labor, sports, and other exertions, had less severe conditions, and were less likely to be young male individuals.ConclusionsIt is suggested that severe cases require a more detailed classification of degree III in the JAAM‐HS criteria, and not measuring deep body temperature could have been a factor in the nonperformance of active cooling and worse outcomes.
Pd–PEPPSI type complexes bearing unsymmetrical NHC ligand with phenyl‐substituted backbone: Highly efficient catalysts for Heck–Mizoroki and Suzuki–Miyaura cross‐coupling reactions
Authors: Korukçu Meliha Çetin , Can Samet 
Published: February 2023

A series of air‐stable NHC–Pd–PEPPSI‐type complexes bearing unsymmetrical NHC ligand, with a phenyl group in its backbone, were synthesized in excellent yields (82%–94%). Air and moisture‐stable complexes were characterized by using 1H NMR, 13C NMR, FT‐IR spectroscopy, and HRMS techniques. Single‐crystal X‐ray diffraction method was used to determine the crystal and molecular structure of the complexes. The molecular structure adopts slightly distorted square planar geometry around the metal centre and was refined as an inversion twin. The complexes were screened for their catalytic activities in Heck–Mizoroki and Suzuki–Miyaura cross‐coupling reactions. Heck–Mizoroki reaction between the various aryl/hetaryl bromides and styrenes occurred in good to excellent yields in DMF in the presence of NaOAc as a base with low catalyst loadings (0.5%). The reactions also occur in aqueous media (DMF‐H2O) in high yields. The Suzuki–Miyaura reaction between various aryl/hetaryl bromides and phenylboronic acids came off in excellent yields in DMF–H2O in the presence of K2CO3 as a base with low catalyst loadings (0.1%) at room temperature.
Molecular dynamics study on enhancement of mechanical and tribological properties of polytetrafluoroethylene composites by incorporating hexagonal boron nitride nanosheets
Authors: Yang Yadi , Zhao Jing , Cui Jianzheng , Jiang Bowen 
Published: February 2023

AbstractMolecular models and sandwiched friction models of pure PTFE and h‐BN/PTFE composite were respectively constructed to investigate the enhancement of mechanical and tribological performances of the polytetrafluoroethylene (PTFE) matrix by incorporating the hexagonal boron nitride (h‐BN) nanosheets as reinforcements. The simulation results indicate that increases of 36.4% in the Young's modulus, 23.6% in the bulk modulus, and 37.3% in the shear modulus of the PTFE matrix are achieved respectively by the incorporation of h‐BN nanosheets. Decreases of 3.48% and 10.27% in the Poisson's ratio and the ratio of bulk modulus to shear modulus of the PTFE matrix are also observed due to the incorporation of h‐BN nanosheets, which shows that the ductility of the PTFE matrix could be somewhat decreased with the addition of h‐BN nanosheets. Additionally, decreases of 69.23% and 69.06% in the coefficient of friction and friction stress of the PTFE matrix are obtained respectively with the introduction of h‐BN nanosheets. To provide in‐depth insight into the internal reason for these findings, the interaction energy between the PTFE matrix and h‐BN nanosheets, the MSD and diffusion coefficient of PTFE chains, and the RDF of carbon and fluorine atoms in the PTFE backbone chains were evaluated and interpreted accordingly.
The history and conceptual framework of assays and screens
Authors: Giacoletto Christopher J. , Schiller Martin R. 
Published: February 2023

AbstractSince the 16th century, assays and screens have been essential for scientific investigation. However, most methods could be significantly improved, especially in accuracy, scalability, and often lack adequate comparisons to negative controls. There is a lack of consistency in distinguishing assays, in which accuracy is the main goal, from screens, in which scalability is prioritized over accuracy. We dissected and modernized the original definitions of assays and screens based upon recent developments and the conceptual framework of the original definitions. All methods have three components: design/measurement, performance, and interpretation. We propose a model of method development in which reproducible observations become new methods, initially assessed by sensitivity. Further development can proceed along a path to either screens or assays. The screen path focuses on scalability first, but can later prioritize analysis of negatives. Alternatively, the assay path first compares results to negative controls, assessing specificity and accuracy, later adding scalability. Both pathways converge on a high‐accuracy and throughput (HAT) assay, like next generation sequencing, which we suggest should be the ultimate goal of all testing methods. Our model will help scientists better select among available methods, as well as improve existing methods, expanding their impact on science.
Investigation of Sequence‐Penetration Relationships of Antisense Oligonucleotides
Authors: Batistatou Nefeli , Kritzer Joshua A. 
Published: February 2023

AbstractA major limitation for the development of more effective oligonucleotide therapeutics has been a lack of understanding of their penetration into the cytosol. While prior work has shown how backbone modifications affect cytosolic penetration, it is unclear how cytosolic penetration is affected by other features including base composition, base sequence, length, and degree of secondary structure. We have applied the chloroalkane penetration assay, which exclusively reports on material that reaches the cytosol, to investigate the effects of these characteristics on the cytosolic uptake of druglike oligonucleotides. We found that base composition and base sequence had moderate effects, while length did not correlate directly with the degree of cytosolic penetration. Investigating further, we found that the degree of secondary structure had the largest and most predictable correlations with cytosolic penetration. These methods and observations add a layer of design for maximizing the efficacy of new oligonucleotide therapeutics.
Enhancing the Activity of an Alcohol Dehydrogenase by Using “Aromatic Residue Scanning” at Potential Plasticity Sites
Authors: Ye Wen‐Jie , Xie Jing‐Wen , Liu Yan , Wang Yi‐Lin , Zhang Yu‐Xin , Yang Xiao‐Ying , Yang Lin , Wang Hua‐Lei , Wei Dong‐Zhi 
Published: February 2023

AbstractAn alcohol dehydrogenase LkADH was successfully engineered to exhibit improved activity and substrate tolerance for the production of (S)‐2‐chloro‐1‐(3,4‐difluorophenyl)ethanol, an important precursor of ticagrelor. Five potential hotspots were identified for enzyme mutagenesis by using natural residue abundance as an indicator to evaluate their potential plasticity. A semi‐rational strategy named “aromatic residue scanning” was applied to randomly mutate these five sites simultaneously by using tyrosine, tryptophan, and phenylalanine as “exploratory residues” to introduce steric hindrance or potential π‐π interactions. The best variant Lk‐S96Y/L199W identified with 17.2‐fold improvement in catalytic efficiency could completely reduce up to 600 g/L (3.1 M) 2‐chloro‐1‐(3,4‐difluorophenyl)ethenone in 12 h with >99.5 % ee, giving the highest space‐time yield ever reported. This study, therefore, offers a strategy for mutating alcohol dehydrogenase to reduce aromatic substrates and provides an efficient variant for the efficient synthesis of (S)‐2‐chloro‐1‐(3,4‐difluorophenyl)ethanol.
Ring‐Expanding Rearrangement of Benzo‐Fused Tris‐Cycloheptenylenes towards Nonplanar Polycyclic Aromatic Hydrocarbons
Authors: Ejlli Barbara , Rominger Frank , Freudenberg Jan , Bunz Uwe H. F. , Müllen Klaus 
Published: February 2023

AbstractInvited for the cover of this issue are Klaus Müllen and co‐workers at the Max‐Planck‐Institute of Polymer Research and the University of Heidelberg. The image depicts the ring‐expanding rearrangement of hexabrominated benzo‐fused tris‐cycloheptenylenes towards nonplanar polycyclic aromatic hydrocarbons. Read the full text of the article at 10.1002/chem.202203735.
Enhanced Semi‐Preparative Biotransformation of Cumene Dioxygenase: From Analytical Scale to Product Isolation
Authors: Schelle Jona T. , Lepoittevin William , Hauer Bernhard 
Published: February 2023

AbstractScale‐up of oxygenase catalyzed reactions is often challenging due to the limited oxygen mass transfer in aqueous solutions. To overcome such limitation, we studied different scale‐up conditions using recombinant resting cells of E. coli JM109(DE3), harboring the cumene dioxygenase of Pseudomonas fluorescens IP01, for the dihydroxylation of naphthalene to (1R,2S)‐cis‐1,2‐dihydro‐1,2‐naphthalenediol. Thereby, vigorous stirring of the biotransformation in a 2 L round bottom flask in combination with an oxygen‐enriched headspace exhibited outstanding product formation after 1 h. Furthermore, the enhanced setup was used for the cumene dioxygenase catalyzed biosynthesis of 240 mg of valuable (+)‐trans‐carveol from (R)‐(+)‐limonene, demonstrating the application of our workflow for volatile compounds.
Drivers of radical and incremental creativity—A moderated mediation framework
Authors: Rahman Malik Muhammad Abdul , Butt Arif Nazir , Zahid Fariha 
Published: February 2023

AbstractResearchers establish that rewards play an important role in shaping employees' creative behaviors. However, little is known about the underlying mechanisms that transmit the effects of rewards for creativity on different types of creative behaviors. Drawing on the sense making perspective, this study identifies unique mediators and moderators of reward—creativity relationship. The results of this survey‐based study, comprising of 220 independent employee ‐ supervisor dyads, suggested that enjoyment in the activity mediated the relationship between intrinsic rewards and radical creative behaviors. Moreover, the interactional effects of extrinsic rewards and their perceived importance on creative behaviors were mediated through perceptions of climate for innovation. These results provide important insights and guide managers in promoting distinct types of creative behaviors.
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**
Authors: Henrichsmeyer Johannes , Thelen Michael , Bröckel Marc , Fadel Mariam , Behnle Stefan , Sekkal‐Rahal Majda , Fink Reinhold F. 
Published: February 2023

AbstractIt is shown that repulsive interactions have a crucial influence on the structure of prototypical non‐covalently bonded systems. To explain this, we propose a molecular orbital‐based model for the exchange‐repulsion contribution to the total interaction energy. As a central result, our model shows that energetically preferred aggregate structures frequently exhibit reduced exchange repulsion, which can be deduced from the nodal structure of certain occupied orbitals. This is used to explain key features of the intermolecular potentials of the Cl2‐He, benzene‐benzene, and benzene‐hexafluorobenzene aggregates, which are not correctly reproduced by commonly applied electrostatic models.
Abundant, distinct, and seasonally dynamic bee community in the canopy‐aerosphere interface above a temperate forest
Authors: Cunningham‐Minnick Michael J. , Milam Joan , Kane Brian , Roberts H. Patrick , King David I. 
Published: February 2023

AbstractOur understanding of how bees (Apoidea) use temperate forests is largely limited to sampling the understory and forest floor. Studies over the last decade have demonstrated that bee communities are vertically stratified within forests, yet the ecology of bee assemblages immediately above the canopy, the canopy‐aerosphere interface, remains unexplored. We sampled and compared bee communities above the canopy of a temperate forest to the understory (1 m), midstory (10 m), and canopy (20 m) on the campus of the University of Massachusetts, in Amherst, Massachusetts, United States from April to August, 2021. Overall, we found that assemblages above the canopy had more bees than in the understory, were distinct in composition from all other strata, and included the greatest proportion of unique species. Bee abundance and species richness were highest in the understory throughout the spring (April and May) and decreased as the season progressed, while bee abundance and species richness at higher strata increased into the summer months. We also found that bees with preferences to nest in moist and rotting wood were largely restricted to canopy and midstory strata. We conclude that bee assemblages occupying the space above the forest canopy are abundant and diverse, and their unique composition suggests that this canopy‐aerosphere interface plays an additional role in the bee community of temperate forests. Alternatively, our findings question how forest bee communities should be defined while highlighting the need for research on fundamental processes governing species stratification in and above the canopy.