bluuebunny/crossref_metadata_2025_split huggingface dataset:
Harnessing the Quantum Behavior of Spins on Surfaces
Authors: Chen Yi , Bae Yujeong , Heinrich Andreas J. 
Published: January 2022

AbstractThe desire to control and measure individual quantum systems such as atoms and ions in a vacuum has led to significant scientific and engineering developments in the past decades that form the basis of today's quantum information science. Single atoms and molecules on surfaces, on the other hand, are heavily investigated by physicists, chemists, and material scientists in search of novel electronic and magnetic functionalities. These two paths crossed in 2015 when it was first clearly demonstrated that individual spins on a surface can be coherently controlled and read out in an all‐electrical fashion. The enabling technique is a combination of scanning tunneling microscopy (STM) and electron spin resonance, which offers unprecedented coherent controllability at the Angstrom length scale. This review aims to illustrate the essential ingredients that allow the quantum operations of single spins on surfaces. Three domains of applications of surface spins, namely quantum sensing, quantum control, and quantum simulation, are discussed with physical principles explained and examples presented. Enabled by the atomically‐precise fabrication capability of STM, single spins on surfaces might one day lead to the realization of quantum nanodevices and artificial quantum materials at the atomic scale.
Neisseria meningitidis Opca Protein/MnO2 Hybrid Nanoparticles for Overcoming the Blood–Brain Barrier to Treat Glioblastoma
Authors: Dong Cheng‐Yuan , Huang Qian‐Xiao , Cheng Han , Zheng Di‐Wei , Hong Sheng , Yan Yu , Niu Mei‐Ting , Xu Jian‐Guo , Zhang Xian‐Zheng 
Published: January 2022

AbstractThe major hurdle in glioblastoma therapy is the low efficacy of drugs crossing the blood–brain barrier (BBB). Neisseria meningitidis is known to specifically enrich in the central nervous system through the guidance of an outer membrane invasion protein named Opca. Here, by loading a chemotherapeutic drug methotrexate (MTX) in hollow manganese dioxide (MnO2) nanoparticles with surface modification of the Opca protein of Neisseria meningitidis, a bionic nanotherapeutic system (MTX@MnO2‐Opca) is demonstrated to effectively overcome the BBB. The presence of the Opca protein enables the drug to cross the BBB and penetrate into tumor tissues. After accumulating in glioblastoma, the nanotherapeutic system catalyzes the decomposition of excess H2O2 in the tumor tissue and thereby generates O2, which alleviates tumor hypoxia and enhances the effect of chemotherapy in the treatment of glioblastoma. This bionic nanotherapeutic system may exhibit great potential in the treatment of glioblastoma.
Orientated Growth of Ultrathin Tellurium by van der Waals Epitaxy
Authors: Zhao Chunsong , Batiz Humberto , Yasar Bengisu , Ji Wenbo , Scott Mary C. , Chrzan Daryl C. , Javey Ali 
Published: January 2022

AbstractTellurium, as an elemental van der Waals semiconductor, has intriguing anisotropic physical properties owing to its inherent 1D crystal structure. To exploit the anisotropic and thickness‐dependent behavior, it is important to realize orientated growth of ultrathin tellurium. Here, van der Waals epitaxial growth of Te on the surface of 2D transition metal dichalcogenides is systematically investigated. Orientated growth of Te with a thickness down to 5 nm is realized on three‐fold symmetric substrates (WSe2, WS2, MoSe2, and MoS2), where the atomic chains of Te are aligned with the armchair directions of substrates. 1D/2D moiré superlattices are observed for the Te/WSe2 heterostructure. This method is extended to the growth of SeTe alloys, providing flexibility for band engineering. Finally, growth of textured Te film is demonstrated on the lower‐symmetry surface of WTe2.
Nickel Quantum Dots Anchored in Biomass‐Derived Nitrogen‐Doped Carbon as Bifunctional Electrocatalysts for Overall Water Splitting
Authors: Chen Shuang , Min Xin , Zhao Yajing , Wu Xiaoxian , Zhang Dan , Hou Xifeng , Wu Xiaowen , Liu Yan'gai , Huang Zhaohui , Abdelkader Amr. M. , Xi Kai , Fang Minghao 
Published: January 2022

AbstractQuantum dots (QD), mixed with carbon materials, have gained increasing interest in the last few years as electrocatalysts due to their outstanding properties, such as excellent catalytic activity and good thermodynamic stabilities. However, most QD‐carbon hybrids show lower catalytic activities than that theoretically predicted due to the aggregation of the QD‐carbon nanostructures during processing. Herein, biomass is used as a carbon source to prepare QD carbon nanostructures (Ni@CN) to address the aforementioned issue. The cells walls and membranes in the biomass materials are usually rich in sites that could regulate the deposition and growth of Ni from a salt precursor by a simple solution impregnation method. Due to the abundance of the seeding sits and the limited supply of Ni+, the Ni particles size is restricted to the QD level with 3–4 nm. The formed Ni compounds QD are strongly linked to the cells walls and membranes, which could be maintained after subsequent heat treatment. The prepared 3D architecture has high catalytic activity, large surface area, strong physical integration, and rapid charge transfer capability, which collectively enhances the performance toward oxygen evolution reaction and hydrogen evolution reaction, opening the door to empower the next‐generation green fuel conversion for carbon neutral.
rGO‐ZnSnO3 Nanostructure‐Embedded Triboelectric Polymer‐Based Hybridized Nanogenerators
Authors: Manchi Punnarao , Graham Sontyana Adonijah , Patnam Harishkumarreddy , Paranjape Mandar Vasant , Yu Jae Su 
Published: January 2022

AbstractPiezoelectric/ferroelectric zinc tin oxide (ZnSnO3) nanocubes (NCs) are synthesized via a hydrothermal synthesis process. Piezoelectric materials exhibit a superior dielectric property, strong electric dipole moment, and higher piezoelectric coefficient, which results in an improved electrical output of the nanogenerator. The synthesized ZnSnO3 NCs are embedded in triboelectric polydimethylsiloxane (PDMS) polymer to employ the synergistic effect of ZnSnO3/PDMS composite polymer matrix (CPM), which creates a hybrid nanogenerator (HNG). The proposed HNG reveals a high electrical performance due to the improved dielectric constant as well as the synergistic effect of piezoelectricity and triboelectricity. Besides, a conductive filler material such as reduced graphene oxide (rGO) is synthesized using a modified Hummer's method and is further utilized to prepare an rGO‐ZnSnO3/PDMS CPM for improving the electrical output performance of the HNG. Furthermore, the ZnSnO3 NCs and rGO‐ZnSnO3 with different amounts are embedded into PDMS polymeric film to optimize the electrical performance of the HNG. The durability test of the proposed HNG device along with the robustness is investigated. Finally, the proposed HNG device is employed to harvest mechanical movements from daily life human activities to power various portable electronics.
Applications of Lead‐Free Cs2AgBiBr6 Single Crystals in Photodetectors and Self‐Powered Photodetectors by Symmetric/Asymmetric Electrodes
Authors: Hao Dandan , Liu Dapeng , Zhang Shiqi , Li Li , Yang Ben , Huang Jia 
Published: January 2022

AbstractLead halide hybrid perovskites have been intensively explored as light‐harvesting materials owing to their unique optoelectrical characteristics and simple deposition method. However, the toxicity and instability problems are still hindering their further development and applications. Herein, stable lead‐free double perovskite Cs2AgBiBr6 single crystals (SCs) with outstanding photoelectric properties are prepared. When symmetric Au electrodes are used, the resulting photodetectors (PDs) can have broad spectral response, high responsivity of 4.88 A W−1, external quantum efficiency of 1100%, and detectivity of 1.22 × 1013 Jones, respectively. More interestingly, when asymmetric electrodes (Au and Ag) are used, the authors obtain the first reported self‐driven PD based on the lead‐free perovskite SC, to the best of the authors’ knowledge. The device exhibits good photoresponse properties at a bias of 0 V. Both devices hold short response time at µs scale, which are among the best reported lead‐free perovskite PDs. Both devices demonstrate decent stabilities in air without encapsulation. All results demonstrate that Cs2AgBiBr6 SCs have great potential in the application of optoelectronic devices.
Reverse osmosis and pervaporation of organic liquids using organosilica membranes: Performance analysis and predictions
Authors: Dong Guanying , Zhang Yatao , Sato Takaaki , Nagasawa Hiroki , Kanezashi Masakoto , Tsuru Toshinori 
Published: January 2022

AbstractThis study systematically investigated and modeled the organic solvent reverse osmosis (OSRO) and pervaporation (PV) performances of bis(triethoxysiyl)acetylene (BTESA)‐derived microporous organosilica membranes with different microstructures and permeation properties. BTESA membranes calcined at a low temperature of 100°C exhibited great promise for utility in the challenging OSRO separation of methanol/organic azeotropes such as methanol/toluene and methanol/methyl tert‐butyl ether and demonstrated ultrahigh values for both permeating flux and rejection together with good operation stability. In addition, a generalized solution‐diffusion model enabled a suitable description of the permeation behaviors of organic solvent molecules through the BTESA membranes irrespective of the use of either OSRO or PV modalities, which allowed us to predict the OSRO performance via PV, and vice versa.
Engineering Dual Single‐Atom Sites on 2D Ultrathin N‐doped Carbon Nanosheets Attaining Ultra‐Low‐Temperature Zinc‐Air Battery
Authors: Cui Tingting , Wang Yun‐Peng , Ye Tong , Wu Jiao , Chen Zhiqiang , Li Jiong , Lei Yongpeng , Wang Dingsheng , Li Yadong 
Published: January 2022

AbstractHerein, a novel dual single‐atom catalyst comprising adjacent Fe‐N4 and Mn‐N4 sites on 2D ultrathin N‐doped carbon nanosheets with porous structure (FeMn‐DSAC) was constructed as the cathode for a flexible low‐temperature Zn‐air battery (ZAB). FeMn‐DSAC exhibits remarkable bifunctional activities for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Control experiments and density functional theory calculations reveal that the catalytic activity arises from the cooperative effect of the Fe/Mn dual‐sites aiding *OOH dissociation as well as the porous 2D nanosheet structure promoting active sits exposure and mass transfer during the reaction process. The excellent bifunctional activity of FeMn‐DSAC enables the ZAB to operate efficiently at ultra‐low temperature of −40 °C, delivering 30 mW cm−2 peak power density and retaining up to 86 % specific capacity from the room temperature counterpart.
Surface Modification of Nano‐Cu2O for Controlling CO2 Electrochemical Reduction to Ethylene and Syngas
Authors: Luo Haiqiang , Li Bo , Ma Jian‐Gong , Cheng Peng 
Published: January 2022

AbstractIn the surroundings of carbon neutrality, nano‐Cu2O is considered a promising catalyst for the electrochemical CO2 reduction reaction (ECO2RR), whose improvements in product selectivity still require considerable efforts. Here, we present an efficient strategy for controlling the ECO2RR product by modifying the surface of nano‐Cu2O, i.e., by controlling the exposed facets via a reductant‐controlled method to achieve the highest C2H4 selectivity (Faradic efficiency=74.1 %) for Cu2O‐based catalysts in neutral electrolytes, and introducing a well‐suited metal–organic framework (MOF) coating on the surface of nano‐Cu2O to obtain syngas completely with an appropriate H2:CO ratio. Detailed mechanism and key intermediate have been illustrated by DFT calculations. Our systematic strategy is expected to control the ECO2RR product, improve the selectivity, and provide a reliable method for CO2 management and the green production of important carbon resources.
Fold‐in Synthesis of a Pentabenzopentaaza[10]circulene
Authors: Matsuo Yusuke , Kise Koki , Morimoto Yuki , Osuka Atsuhiro , Tanaka Takayuki 
Published: January 2022

AbstractA pentabenzopentaaza[10]circulene has been synthesized as the largest fully conjugated hetero[n]circulene via a fold‐in oxidative fusion reaction of an ortho‐phenylene‐bridged cyclic pyrrole pentamer. This circulene takes a saddle‐distorted structure with bond lengths of the central ten‐membered‐ring in the range of 1.455–1.493 Å. Relatively broad absorption and fluorescence spectra were observed, which reflects its flexible structure, in accordance with the low‐temperature NMR spectra and theoretical calculations. The energy barrier for saddle‐to‐saddle interconversion was estimated to be quite small (≈3 kcal mol−1).
Polyyne [3]Rotaxanes: Synthesis via Dicobalt Carbonyl Complexes and Enhanced Stability
Authors: Patrick Connor W. , Woods Joseph F. , Gawel Przemyslaw , Otteson Claire E. , Thompson Amber L. , Claridge Tim D. W. , Jasti Ramesh , Anderson Harry L. 
Published: January 2022

AbstractNew strategies for synthesizing polyyne polyrotaxanes are being developed as an approach to stable carbyne “insulated molecular wires”. Here we report an active metal template route to polyyne [3]rotaxanes, using dicobalt carbonyl masked alkyne equivalents. We synthesized two [3]rotaxanes, both with the same C28 polyyne dumbbell component, one with a phenanthroline‐based macrocycle and one using a 2,6‐pyridyl cycloparaphenylene nanohoop. The thermal stabilities of the two rotaxanes were compared with that of the naked polyyne dumbbell in decalin at 80 °C, and the nanohoop rotaxane was found to be 4.5 times more stable.
Concentrated Electrolyte for High‐Performance Ca‐Ion Battery Based on Organic Anode and Graphite Cathode
Authors: Li Jin , Han Chengjun , Ou Xuewu , Tang Yongbing 
Published: January 2022

AbstractDue to the large abundance, low redox potential, and multivalent properties of calcium (Ca), Ca‐ion batteries (CIBs) show promising prospects for energy storage applications. However, current research on CIBs faces the challenges of unsatisfactory cycling stability and capacity, mainly restricted by the lack of suitable electrolytes and electrode materials. Herein, we firstly developed a 3.5 m concentrated electrolyte with a calcium bis(fluorosulfonyl)imide (Ca(FSI)2) salt dissolved in carbonate solvents. This electrolyte significantly improved the intercalation capacity for anions in the graphite cathode and contributed to the reversible insertion of Ca2+ in the organic anode. By combining this concentrated electrolyte with the low‐cost and environmentally friendly graphite cathode and organic anode, the assembled Ca‐based dual‐ion battery (Ca‐DIB) exhibits 75.4 mAh g−1 specific discharge capacity at 100 mA g−1 and 84.7 % capacity retention over 350 cycles, among the best results known for CIBs.
A bis(thiosemicarbazonato)‐zinc complex, an electrocatalyst for hydrogen evolution and oxidation via ligand‐assisted metal‐centered reactivity
Authors: Du Juan , Yang Hao , Wang Chun‐Li , Zhan Shu‐Zhong 
Published: January 2022

AbstractBased on that hydrogen energy is widely used in fuel cells, the design and research of new catalysts for both hydrogen evolution reactions (HERs) and hydrogen oxidation reactions (HORs) are becoming increasingly important. A new catalyst for both hydrogen evolution and oxidation, based on a zinc complex, [Zn‐ATSE]2, is designed and provided by the reaction of Zn (CH3CO2)2 with diacetyl‐2‐(4‐N‐ethyl‐3‐thiosemicarbazone)‐3‐(4‐N‐amino‐3‐thiosemicarbazone) (H2ATSE) in our group. Electrochemical investigations show that [Zn‐ATSE]2 can electro‐catalyze hydrogen evolution from acetic acid with a turnover frequency (TOF) of 64 mol H2 mol catalyst−1 h−1 under an overpotential of 914.6 mV. Moreover, [Zn‐ATSE]2 also can electro‐catalyze hydrogen oxidation with a TOF of 13.52 s−1. The results can be attributed to the hydrazine group of [Zn‐ATSE]2 that can form a ligand‐based radical species. Possible electrocatalytic cycles for H2 production and oxidation by [Zn‐ATSE]2 are afforded. We hope these findings can afford a new method for the design of electrocatalysts for both H2 evolution and H2 oxidation.
Ferrocene conjugates linked by 1,2,3‐triazole and their Zn(II) and Cu(II) complexes: Synthesis, characterization and biological activity
Authors: Jakopec Silvio , Pantalon Juraj Natalija , Brozovic Anamaria , Jadreško Dijana , Perić Berislav , Kirin Srećko I. , Raić‐Malić Silvana 
Published: January 2022

AbstractFerrocene derivatives with mono‐ (8a–c) and bis‐1,2,3‐triazolyl (9 and 10a–13c) chelating groups were synthesized by regioselective copper(I)‐catalysed 1,3‐dipolar cycloaddition of terminal alkynes with ferrocene azides. Metal complexes of the ligands were prepared with Cu(II) and Zn(II) salts. Crystal structures of ligands 9 and 11a were determined, as well as the structures of complexes [Cu(8a)2](CF3SO3)2 (8aCu) and [Cu(8c)2(CH3OH)2](BF4)2 (8cCu). In addition to NMR and UV–Vis spectroscopy, the metal complexes were characterized by cyclic voltammetry. The cytotoxic effect of ferrocene conjugates and their Zn(II) and Cu(II) complexes was explored, and cell cycle analysis was performed. The complex [Cu(8c)2](CF3SO3)2 showed the most prominent and selective cytotoxicity on cervical carcinoma (HeLa), ovarian cancer (MES‐OV), non‐small cell lung cancer (A549) and breast carcinoma (MDA‐MB‐231) cells. This complex increased cell population in the S and G2/M phase of the cell cycle, which was accompanied by an increase of the cells present in the sub‐G0/G1 fraction.
Synthesis, characterization, and biological evaluation of some novel Schiff bases as potential metabolic enzyme inhibitors
Authors: Çakmak Reşit , Başaran Eyüp , Şentürk Murat 
Published: January 2022

AbstractIn this study, a series of novel Schiff base derivatives containing a pyrazolone ring (2a–e) were designed, successfully synthesized for the first time, and characterized by elemental analysis and some spectroscopic methods. These compounds were tested for their inhibitory activities on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and the human carbonic anhydrase isoenzymes I and II (hCA I and II). All synthesized molecules indicated significant inhibition effects with IC50 values ranging from 14.15 to 107.62 nM against these enzymes. Compound 2d showed the most potent inhibitory activity among the tested molecules toward AChE and BChE (IC50 = 15.07 and 14.15 nM) compared to the standard drug neostigmine. We determined that the IC50 values of the tested molecules ranged between 16.86 and 57.96 nM for hCA I and 15.24–46.21 nM for hCA II. As a consequence, we may say that some of the Schiff base derivatives may be used as potential drug candidates in later studies.
The question of dissection in medical training: Not just “if,” but “when”? A student perspective
Authors: Webb Alexandra L. , Smyth Lillian , Hafiz Mustafa , Valter Krisztina 
Published: January 2022

AbstractWhile debate about the use of—and alternatives to—human cadaveric dissection in medical training is robust, little attention has been paid to questions about timing. This study explores the perspectives of medical students and recent graduates with regard to two key questions: when in the degree program do students prefer dissection opportunities and what are the students getting out of participating in dissection? Self‐report survey data from students in preclinical years (n = 105), clinical years (n = 57), and graduates (n = 13) were analyzed. Most (89%) preferred dissection during the preclinical years, with no effect by training year (χ2 = 1.98, p = 0.16), previous anatomy (χ2 = 3.64, p = 0.31), or dissection (χ2 = 3.84, p = 0.26) experience. Three key findings emerged. First, the majority of students prefer to dissect in the preclinical years because they view dissection as important for developing foundation knowledge and delivering an opportunity for consolidation prior to transitioning to primarily clinical studies. In addition, students recognize that it is a time‐consuming activity requiring specialized facilities. Second, three main understandings of the purpose of dissection were reported: depth of learning, learning experience, and real‐world equivalence. Third, these student perspectives of the purpose of dissection are associated with timing preferences for dissection opportunities. The results identify the preclinical phase as the optimal time to strategically integrate dissection into medical training in order to maximize the benefits of this unique learning opportunity for students and minimize its impact upon curricular time.
Real‐time predictive control‐based anti‐pitching method for high‐speed multihull with appendages constraints
Authors: Li Guosheng , Zhang Jun , Liu Zhilin , Hu Haojun , Zheng Linhe 
Published: January 2022

AbstractIn order to mitigate the excessive amplitudes of pitch and heave motions, a real‐time predictive control method is proposed for the high‐speed multihull with strict input constraints of anti‐pitching appendages. The vertical control model of the high‐speed multihull has been established with T‐foil and flap served as anti‐pitching appendages, and the motion couplings between heave and pitch have been analyzed. The wave disturbance considered as a kind of colored noise can be whitened so as to obtain the control signal, and then adaptive extended Kalman filtering method can be used to get the online estimates of the heave velocity and pitch angular velocity. The proposed predictive control‐based anti‐pitching method mainly contains two reformed aspects of the predictive control. One is to take into account the error between the actual and predicted system values, such that the prediction model with linear error correction can be obtained resulting in the enhanced robustness. The other is to employ the Laguerre function to convert the control sequence of moving horizon optimization into the fewer‐dimensional Laguerre parameters, and then the computational burden of online optimization can be significantly reduced indicating the improved real‐time performance. The closed‐loop system stability has also been theoretically analyzed. The simulation and experiment have been carried out to verify the effectiveness of the proposed algorithm in this paper.
Adaptive frequency‐limited ‐model order reduction
Authors: Zulfiqar Umair , Sreeram Victor , Du Xin 
Published: January 2022

AbstractIn this paper, we present an adaptive framework for constructing a pseudo‐optimal reduced model for the frequency‐limited‐optimal model order reduction problem. We show that the frequency‐limited pseudo‐optimal reduced‐order model has an inherent property of monotonic decay in error if the interpolation points and tangential directions are selected appropriately. We also show that this property can be used to make an automatic selection of the order of the reduced model for an allowable tolerance in error. The proposed algorithm adaptively increases the order of the reduced model such that the frequency‐limited‐norm error decays monotonically irrespective of the choice of interpolation points and tangential directions. The stability of the reduced‐order model is also guaranteed. Additionally, it also generates the approximations of the frequency‐limited system Gramians that monotonically approach the original solution. Further, we show that the low‐rank alternating direction implicit iteration method for solving large‐scale frequency‐limited Lyapunov equations implicitly performs frequency‐limited pseudo‐optimal model order reduction. We consider two numerical examples to validate the theory presented in the paper.