bluuebunny/crossref_metadata_2025_split huggingface dataset:
Continuous Room‐Temperature Spin‐Injection Modulation Achieved by Spin‐Filtering Competition in Molecular Spin Valves
Authors: Hu Shunhua , Liu Wei , Guo Lidan , Zhang Rui , Gu Xianrong , Meng Ke , Qin Yang , Guo Ankang , Yang Tingting , Zhang Cheng , Yang Xueli , Lu Shuhang , Wu Meng , Lu Kun , Tan Ting , Zhou Erjun , Wei Zhixiang , Sun Xiangnan 
Published: April 2023

AbstractAbundant spin‐related phenomena that originate from interfaces between ferromagnetic electrodes and molecular semiconductors have greatly enriched research in spintronics, and they are considered promising for realizing novel spintronic functionalities in the future. However, despite great effort, the interfacial effect cannot be precisely controlled to achieve steady and predictable functions, especially at room temperature, and this has gradually become a significant bottleneck in the development of molecular spintronics. In this study, an innovative spin‐filtering‐competition mechanism is proposed to continuously modulate the interfacial effect in molecular spin valves at room temperature. To form this novel mechanism, the original spin‐filtering effect from pure cobalt competes with the newly generated one, which is induced by the bonding effect between cobalt and lithium fluoride. Subsequently, by precisely controlling competition through lithium fluoride coverage on the cobalt surface, continuous modulation of the spin‐injection process can be successfully achieved at room temperature. Spin polarization of the injected current and magnetoresistance effect can be actively controlled or their sign can be completely reversed through this novel mechanism. This study provides an innovative approach and theory for precisely controlling spin‐related interfacial effects, which may further promote the scientific and technological development of spintronics.
Rationalized Electroepitaxy toward Scalable Single‐Crystal Zn Anodes
Authors: Su Yiwen , Chen Buhang , Sun Yingjie , Xue Zaikun , Zou Yuhan , Yang Dongzi , Sun Luzhao , Yang Xianzhong , Li Chao , Yang Yujia , Song Xiuju , Guo Wenyi , Dou Shixue , Chao Dongliang , Liu Zhongfan , Sun Jingyu 
Published: April 2023

AbstractElectroepitaxy is recognized as an effective approach to prepare metal electrodes with nearly complete reversibility. Nevertheless, large‐scale manipulation is still not attainable owing to complicated interfacial chemistry. Here, the feasibility of extending Zn electroepitaxy toward the bulk phase over a mass‐produced mono‐oriented Cu(111) foil is demonstrated. Interfacial Cu–Zn alloy and turbulent electroosmosis are circumvented by adopting a potentiostatic electrodeposition protocol. The as‐prepared Zn single‐crystalline anode enables stable cycling of symmetric cells at a stringent current density of 50.0 mA cm−2. The assembled full cell further sustaines a capacity retention of 95.7% at 5.0 A g−1 for 1500 cycles, accompanied by a controllably low N/P ratio of 7.5. In addition to Zn, Ni electroepitaxy can be realized by using the same approach. This study may inspire rational exploration of the design of high‐end metal electrodes.
Exploring Electronic Characteristics of Acceptor–Donor–Acceptor‐Type Molecules by Single‐Molecule Charge Transport
Authors: Li Peihui , Xiong Wan , Wang Jinying , Hao Jie , Li Mingpeng , Wang Boyu , Chen Yijian , Si Wei , Ren Haiyang , Li Guangwu , Chen Yongsheng , Lü Jingtao , Zhang Hongtao , Jia Chuancheng , Guo Xuefeng 
Published: April 2023

AbstractThe electronic characteristics of organic optoelectronic materials determine the performance of corresponding devices. Clarifying the relationship between molecular structure and electronic characteristics at the single‐molecule level can help to achieve high performance for organic optoelectronic materials and devices, especially for organic photovoltaics. In this work, a typical acceptor–donor–acceptor (A–D–A)‐type molecule is explored by combining theoretical and experimental studies to reveal the intrinsic electronic characteristics at the single‐molecule level. Specifically, the A–D–A‐type molecule with 1,1‐dicyano methylene‐3‐indanone (INCN) acceptor units exhibits an enhanced conductance in single‐molecule junctions when compared with the control donor molecule, because the acceptor units of the A–D–A‐type molecule contribute additional transport channels. In addition, through opening the S∙∙∙O noncovalent conformational lock by protonation to expose the −S anchoring sites, the charge transport of the D central part is detected, proving that the conductive orbitals contributed by the INCN acceptor groups can penetrate the whole A–D–A molecule. These results provide important insights into the development of high‐performance organic optoelectronic materials and devices toward practical applications.
Non‐Toxic CuInS2/ZnS Colloidal Quantum Dots for Near‐Infrared Light‐Emitting Diodes
Authors: Lim Li Jun , Zhao Xiaofei , Tan Zhi‐Kuang 
Published: April 2023

AbstractTernary CuInS2 quantum dots (QDs) with photoluminescence that is tunable from the visible to the near‐infrared (NIR) region are promising light‐emitters for consumer electronics due to the absence of toxic elements such as Pb, Cd, or As. Despite the compelling performance of visible‐light‐emitting CuInS2 QDs, reports on NIR emission remain limited, with modest efficiencies at wavelengths beyond 900 nm. In this work, the facile synthesis of NIR‐emitting CuInS2/ZnS QDs is reported. A combination of two sulfur precursors w as used in the synthesis, comprising 1‐dodecanethiol (DDT) and hexamethyldisilathiane (HMDS). The reactive HMDS facilitates faster nucleation and leads to a higher density of emissive Cu‐deficiency sites. The resulting QDs exhibit high photoluminescence quantum efficiency (PLQE) of 65% at a long emission wavelength of 920 nm. Using these QDs, NIR light‐emitting diodes (LED) are fabricated, which attain an external quantum efficiency (EQE) of 8.2%. This efficiency is comparable to the best reported PbS and InAs QD LEDs, and the emission wavelength exceeds that of lead iodide perovskites. This work thus marks one of the first reports of efficient NIR LEDs based on environmentally benign CuInS2 QDs and may open up promising new applications in consumer electronic products.
Top Electrode Engineering for High‐Performance Ferroelectric Hf0.5Zr0.5O2 Capacitors
Authors: Kim Beom Yong , Lee In Soo , Park Hyeon Woo , Lee Yong Bin , Lee Suk Hyun , Oh Minsik , Ryoo Seung Kyu , Byun Seung Ryong , Kim Kyung Do , Lee Jae Hoon , Cho Deok‐Yong , Park Min Hyuk , Hwang Cheol Seong 
Published: April 2023

AbstractThis work systematically studies the TiN, Ru, and RuO2 top electrodes (TEs) effects on the ferroelectric properties of Hf0.5Zr0.5O2 (HZO) films. The Ru top electrode significantly improves the ferroelectric performance even with the conventional TiN bottom electrode. The high two‐remanent polarization (2Pr) value (≈65 µC cm−2) is obtained with the capacitor with Ru TE, which is ≈1.5 times higher than that of the capacitors with the TiN and RuO2 TEs. Moreover, it does not break down to 1 × 109 cycling with a high cycling electric field of 4.0 MV cm−1, while others do lower cycle numbers. Further enhancement can be achieved by inserting a 2‐nm‐thick HfON interfacial layer between the HZO film and TiN bottom electrode while keeping the Ru/HZO top interface structure. The capacitor does not break down even at an electric field strength of 4.8 MV cm−1, at which a 2Pr value of ≈67 µC cm−2 is achieved. Furthermore, it can endure 1 × 1011 switching cycles while a 2Pr value of 45–53 µC cm−2 is retained. Therefore, this study elucidates that interfacial engineering is an important technology that can overcome the trade‐off relationship between Pr and endurance, a critical issue in ferroelectric doped HfO2‐based films.
Do Australians trust scientists? It depends on the ‘science’
Authors: Tranter Bruce 
Published: April 2023

AbstractTrust in science and scientists underlies public support for social and environmental issues, from taking action on climate change to preventing the spread of viruses. Nationally representative Australian survey data show that public trust in university research is higher than that conducted in other institutions. As sources of information, public trust in scientists is considered across potentially polarising and relatively uncontroversial fields of science, with trust varying considerably according to the type of science examined. Public trust is highest in vaccine science and weather forecasting, and lowest for GM crop science, while climate science and forest management fall in between. Social and political background variables are important correlates of trust in science. Younger, tertiary educated, politically progressive Australians are most trusting. Greens party identifiers and environmentalists are more likely than other respondents to trust all types of science examined here—including GM crop science—while institutional trust is positively associated with trust in scientists.
C1q is increased in cerebrospinal fluid‐derived extracellular vesicles in Alzheimer's disease: A multi‐cohort proteomics and immuno‐assay validation study
Authors: Chatterjee Madhurima , Özdemir Selcuk , Kunadt Marcel , Koel‐Simmelink Marleen , Boiten Walter , Piepkorn Lars , Pham Thang V. , Chiasserini Davide , Piersma Sander R. , Knol Jaco C. , Möbius Wiebke , Mollenhauer Brit , van der Flier Wiesje M. , Jimenez Connie R. , Teunissen Charlotte E. , Jahn Olaf , Schneider Anja 
Published: April 2023

AbstractIntroductionExtracellular vesicles (EVs) may propagate and modulate Alzheimer's disease (AD) pathology. We aimed to comprehensively characterize the proteome of cerebrospinal fluid (CSF) EVs to identify proteins and pathways altered in AD.MethodsCSF EVs were isolated by ultracentrifugation (Cohort 1) or Vn96 peptide (Cohort 2) from non‐neurodegenerative controls (n = 15, 16) and AD patients (n = 22, 20, respectively). EVs were subjected to untargeted quantitative mass spectrometry‐based proteomics. Results were validated by enzyme‐linked immunosorbent assay (ELISA) in Cohorts 3 and 4, consisting of controls (n = 16, n = 43, (Cohort3, Cohort4)), and patients with AD (n = 24, n = 100).ResultsWe found > 30 differentially expressed proteins in AD CSF EVs involved in immune‐regulation. Increase of C1q levels in AD compared to non‐demented controls was validated by ELISA (∼ 1.5 fold, p (Cohort 3) = 0.03, p (Cohort 4) = 0.005).DiscussionEVs may be utilized as a potential biomarker and may play a so far unprecedented role in immune‐regulation in AD.
Struktur‐ und Daten‐basiertes Protein Engineering von Transaminasen zur Verbesserung von Aktivität und Stereoselektivität
Authors: Ao Yu‐Fei , Pei Shuxin , Xiang Chao , Menke Marian J. , Shen Lin , Sun Chenghai , Dörr Mark , Born Stefan , Höhne Matthias , Bornscheuer Uwe T. 
Published: April 2023

AbstractAmintransaminasen (ATAs) sind leistungsstarke Biokatalysatoren für die stereoselektive Synthese chiraler Amine. Machine learning ist ein vielversprechender Ansatz für das Protein‐Engineering, aber Modelle zur Aktivitätsvorhersage für ATAs sind aufgrund der Schwierigkeit, qualitativ hochwertige Trainingsdaten zu erhalten, schwer zu finden. Aus diesem Grund haben wir zunächst Varianten der ATA aus Ruegeria sp. (3FCR) mit verbesserter katalytischer Aktivität (bis zu 2000‐fach) sowie umgekehrter Stereoselektivität durch strukturabhängiges rationales Design entwickelt und dabei einen hochwertigen Datensatz gesammelt. Anschließend entwarfen wir einen modifizierten One‐Hot‐Code, um sterische und elektronische Effekte von Substraten und Aminosäureresten innerhalb von ATAs zu beschreiben. Schließlich erstellten wir einen Gradient Boosting Regression Tree Prädiktor zur Vorhersage der katalytischen Aktivität und Stereoselektivität und wendeten diesen für das datengesteuerte Design optimierter Varianten an, die dann eine verbesserte Aktivität zeigten (bis zum Dreifachen im Vergleich zu den besten zuvor identifizierten Varianten). Wir haben zudem gezeigt, dass das Modell die katalytische Aktivität für ATA‐Varianten eines anderen Enzyms vorhersagen kann, indem es mit einem kleinen Satz zusätzlicher Daten neu trainiert wurde.
An Artificial Single Molecular Channel Showing High Chloride Transport Selectivity and pH‐Responsive Conductance
Authors: Huang Wen‐Long , Wang Xu‐Dong , Ao Yu‐Fei , Wang Qi‐Qiang , Wang De‐Xian 
Published: April 2023

AbstractInspired by the unique structure and function of the natural chloride channel (ClC) selectivity filter, we present herein the design of a ClC‐type single channel molecule. This channel displays high ion transport activity with half‐maximal effective concentration, EC50, of 0.10 μM, or 0.075 mol % (channel molecule to lipid ratio), as determined by fluorescent analysis using lucigenin‐encapsulated vesicles. Planar bilayer lipid membrane conductance measurements indicated an excellent Cl−/K+ selectivity with a permeability ratio P
/P
up to 12.31, which is comparable with the chloride selectivity of natural ClC proteins. Moreover, high anion/anion selectivity (P
/P
=66.21) and pH‐dependent conductance and ion selectivity of the channel molecule were revealed. The ClC‐like transport behavior is contributed by the cooperation of hydrogen bonding and anion–π interactions in the central macrocyclic skeleton, and by the existence of pH‐responsive terminal phenylalanine residues.
Burning Graphite Faster than Carbon Black: A Case of Diffusion Control
Authors: Picheau Emmanuel , Hof Ferdinand , Amar Sara , Derré Alain , Pénicaud Alain 
Published: April 2023

AbstractExternal diffusion may be exploited as a tool to purify materials in a way thought to be inaccessible from a chemical reactivity point of view. A mixture of two carbonaceous materials, graphite and carbon black, are thermally oxidized in either i) outside total diffusion‐limited regime or ii) total diffusion‐limited regime. Depending on the treatment applied it is possible to purify either graphite, a trivial task, or carbon black, a task thought impossible. Introducing geometrical selectivity, controlled total diffusion‐limited chemistry exceeds by far the field of carbon materials and can be used as an engineering tool for many materials purification, original synthesis, or to introduce asymmetry in a system. Several examples for direct applications of the findings are mentioned.
Discovery of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus capsid assembly modulators
Authors: Guan Mengying , Wang Yuan , Wang Yunwen , Chen Na , Shi Shu , Sheng Rong 
Published: April 2023

AbstractThe “magic methyl effect” strategy was used to design a series of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus (HBV) capsid assembly modulators. Most of these compounds exhibited potent HBV inhibitory activities with low cytotoxicities in HepG2.2.15 cells. The most promising compounds 9d and 10b had single‐digit nanomolar IC50 values with a high selectivity index. Compared with the lead compound (3.0%), they caused 15% and 18% decreases in HBe antigen secretion at 1.0 μM, respectively. In addition, compounds 9d and 10b possessed good pharmacokinetic profiles with oral bioavailability values of 56.1% and 48.9%, respectively. These results indicated that the two compounds were potential therapeutic agents for HBV infection.
Is visual gaze in children with autism spectrum disorder related to sequence of emotion intensity presentation? An eye‐tracking study of natural emotion perception processes
Authors: Wang Duan , Zhang Yiran , Zhang Haiqing , Kuo Fengyi , Zhang Linxue , Yang Ying , Yan Yingyu , Ng Manwa L. , Wang Lan , Yan Nan , Chen Yanni 
Published: April 2023

AbstractEmotion cognitive remediation is a critical component of social skills training for children with autism spectrum disorder (ASD). Visual perception of emotions is highly correlated with the intensity and sequence of presented emotions. However, few studies examined the effect of presentation sequence and intensity on emotion perception. The present study examined the gaze patterns of children with ASD in receiving different sequences of emotion presentation using eye‐tracking technologies. Gaze patterns of ecologically‐valid video clips of silent emotion stimuli by 51 ASD children and 34 typically developing (TD) children were recorded. Results indicated that ASD and TD children showed opposite visual fixation during different intensity presentation modes: children with ASD showed better emotion perception with a weak‐to‐strong emotion sequence when presented. The visual reductions in emotion perception in children with ASD may due to different perceptual threshold to emotional intensity. The extent of the reductions could be related to an individual's Personal‐Social ability. The present study supports the importance of intensity of emotions and the order at which the emotional stimuli were presented in yielding better emotion perceptions in children with ASD, suggesting that the order of emotion presentation may potentially influence emotion processing during ASD rehabilitation. It is anticipated that the present findings could bring more insights to clinicians for intervention planning in the future.
Prevalence of pathogenic variants in cancer‐predisposing genes in second cancer after childhood solid cancers
Authors: Yoshida Masanori , Nakabayashi Kazuhiko , Yang Wentao , Sato‐Otsubo Aiko , Tsujimoto Shin‐ichi , Ogata‐Kawata Hiroko , Kawai Tomoko , Ishiwata Keisuke , Sakamoto Mika , Okamura Kohji , Yoshida Kaoru , Shirai Ryota , Osumi Tomoo , Kiyotani Chikako , Shioda Yoko , Terashima Keita , Ishimaru Sae , Yuza Yuki , Takagi Masatoshi , Arakawa Yuki , Imamura Toshihiko , Hasegawa Daisuke , Inoue Akiko , Yoshioka Takako , Ito Shuichi , Tomizawa Daisuke , Koh Katsuyoshi , Matsumoto Kimikazu , Kiyokawa Nobutaka , Ogawa Seishi , Manabe Atsushi , Niwa Akira , Hata Kenichiro , Yang Jun J. , Kato Motohiro 
Published: April 2023

AbstractBackgroundSecond malignant neoplasms (SMNs) are one of the most severe late complications after pediatric cancer treatment. However, the effect of genetic variation on SMNs remains unclear. In this study, we revealed germline genetic factors that contribute to the development of SMNs after treatment of pediatric solid tumors.MethodsWe performed whole‐exome sequencing in 14 pediatric patients with SMNs, including three brain tumors.ResultsOur analysis revealed that five of 14 (35.7%) patients had pathogenic germline variants in cancer‐predisposing genes (CPGs), which was significantly higher than in the control cohort (p < 0.01). The identified genes with variants were TP53 (n = 2), DICER1 (n = 1), PMS2 (n = 1), and PTCH1 (n = 1). In terms of the type of subsequent cancer, leukemia and multiple episodes of SMN had an exceptionally high rate of CPG pathogenic variants. None of the patients with germline variants had a family history of SMN development. Mutational signature analysis showed that platinum drugs contributed to the development of SMN in three cases, which suggests the role of platinum agents in SMN development.ConclusionsWe highlight that overlapping effects of genetic background and primary cancer treatment contribute to the development of second cancers after treatment of pediatric solid tumors. A comprehensive analysis of germline and tumor samples may be useful to predict the risk of secondary cancers.
Epitopes Displayed in a Cyclic Peptide Scaffold Bind SARS‐COV‐2 Antibodies
Authors: Eriksson Camilla , Gunasekera Sunithi , Muhammad Taj , Zhang Mingshu , Laurén Ida , Mangsbo Sara M , Lord Martin , Göransson Ulf 
Published: April 2023

AbstractThe SARS‐CoV‐2 virus that causes COVID‐19 is a global health issue. The spread of the virus has resulted in seven million deaths to date. The emergence of new viral strains highlights the importance of continuous surveillance of the SARS‐CoV‐2 virus by using timely and accurate diagnostic tools. Here, we used a stable cyclic peptide scaffolds to present antigenic sequences derived from the spike protein that are reactive to SARS‐CoV‐2 antibodies. Using peptide sequences from different domains of SARS‐CoV‐2 spike proteins, we grafted epitopes on the peptide scaffold sunflower trypsin inhibitor 1 (SFTI‐1). These scaffold peptides were then used to develop an ELISA to detect SARS‐CoV‐2 antibodies in serum. We show that displaying epitopes on the scaffold improves reactivity overall. One of the scaffold peptides (S2_1146‐1161_c) has reactivity equal to that of commercial assays, and shows diagnostic potential.
Synthesis of a Hybrid Composed of Anisotropic Niobate Layers Modified with MoC Nanoparticles
Authors: Du Meilin , Asakura Yusuke , Kamibe Takuma , Yamauchi Yusuke , Sugahara Yoshiyuki 
Published: April 2023

AbstractThe hybrid composed of anisotropic niobate layers modified with MoC nanoparticles is synthesized by multistep reactions. The stepwise interlayer reactions for layered hexaniobate induce selective surface modification at the alternate interlayers, and the following ultrasonication leads to the formation of double‐layered nanosheets. The further liquid phase MoC deposition with the double‐layered nanosheets leads to the decoration of MoC nanoparticles on the surfaces of the double‐layered nanosheets. The new hybrid can be regarded as a stacking of the two layers with anisotropically modified nanoparticles. The relatively high temperature in the MoC synthesis causes partial leaching of the grafted phosphonate groups. The exposed surface of the niobate nanosheets due to the partial leaching may interact with MoC to succeed in the hybridization. The hybrid after heating exhibits photocatalytic activity, indicating that this hybridization method can be useful for hybrid synthesis of semiconductor nanosheets and co‐catalyst nanoparticles toward photocatalytic application.
CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site
Authors: Barlocco Ilaria , Maleki Farahnaz , Pacchioni Gianfranco 
Published: April 2023

AbstractCO2 adsorption and activation on Cu single atom catalysts and Cu nanoclusters supported on the (110) surface of rutile and on the (101) surface of anatase TiO2 have been investigated by means of first principles electronic structure calculations. The role of oxide reduction associated to the presence of oxygen vacancies has been considered. Five main messages emerge from this study. (1) CO2 activation on Cu/TiO2 nanostructures is surface sensitive, as the rutile and anatase surfaces can exhibit different behaviors; (2) the surface morphology is essential since CO2 is activated only when the molecule can simultaneously bind to at least two active sites, such as a Cu atom on one side and an oxide ion on the other site; (3) Cu atoms on TiO2 are in the +I oxidation state and can bind and activate CO2 via charge transfer from the oxide; (4) on supported Cu clusters CO2 activation occurs mostly at the metal/oxide interface; (5) the presence of O vacancy sites facilitates the spontaneous dissociation of CO2 to CO, or increases the electron density of the metal catalyst, two effects that can influence the mechanism of CO2 reduction to methanol or other chemicals.