bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparative transcriptome profiles of large and small bodied large-scale loaches cultivated in paddy fields
Authors: Zhao Liulan , He Kuo , Xiao Qing , Liu Qiao , Luo Wei , Luo Jie , Fu Hongmei , Li Jiayao , Wu Xugan , Du Jun , Gong Quan , Wang Xun , Yang Song
Published: March 2021

Fish culture in paddy fields is a traditional aquaculture mode, which has a long history in East Asia. Large-scale loach (Paramisgurnus dabryanus) fast growth is suitable for paddy fields aquaculture in China. The objective of this study was to identify differential expression genes (DEGs) in the brain, liver and muscle tissues between large (LG, top 5% of maximum total length) and small (SG, top 5% of minimum total length) groups using RNA-seq. In total, 150 fish were collected each week and 450 fish were collected at twelfth week from three paddy fields for all the experimental. Histological observation found that the muscle fibre diameter of LG loaches was greater than that of SG loaches. Transcriptome results revealed that the high expression genes (HEGs) in LG loaches (fold change ≥ 2, p < 0.05) were mainly concentrated in metabolic pathways, such as “Thyroid hormone signalling pathway”, “Citrate cycle (TCA cycle)”, “Carbon metabolism”, “Fatty acid metabolism”, and “Cholesterol metabolism”, and the HEGs in SG loaches were enriched in the pathways related to environmental information processing such as “Cell adhesion molecules (CAMs)”, “ECM− receptor interaction” and “Rap1 signalling pathway”; cellular processes such as “Tight junction”, “Focal adhesion”, “Phagosome” and “Adherens junction”. Furthermore, IGFs gene family may play an important role in loach growth for their different expression pattern between the two groups. These findings can enhance our understanding about the molecular mechanism of different growth and development levels of loaches in paddy fields.
Impact of bariatric surgery on obstructive sleep apnea severity and continuous positive airway pressure therapy compliance—prospective observational study
Authors: Nastałek Paweł , Polok Kamil , Celejewska-Wójcik Natalia , Kania Aleksander , Sładek Krzysztof , Małczak Piotr , Major Piotr
Published: March 2021

To evaluate association between bariatric surgery and changes in obstructive sleep apnea (OSA) severity and sleep architecture was as well as to asses continuous positive airway pressure (CPAP) effectiveness and compliance. We enrolled patients undergoing bariatric surgery. Polysomnography was performed in each patient preoperatively and 12 months after the procedure in a subgroup of patients diagnosed with OSA. STOP-BANG, Epworth Sleepiness Scale (ESS) and Berlin questionnaire scores were obtained pre- and postoperatively. CPAP compliance data was recorded during follow-up hospitalization. Among 44 patients with median age of 49.5 years, predominantly women (68.2%) pre- and postoperative polysomnography was performed. We observed significant improvement in STOP-BANG (6.0 vs. 3.0, p < 0.001) and ESS (12.0 vs. 5.0, p < 0.001) scores, apnea–hypopnea index (44.9 vs. 29.2, p < 0.001), oxygen desaturation index (43.6 vs. 18.3, p < 0.001) and sleep architecture parameters. CPAP compliance was poor with a median percentage of days with CPAP use accounting to 49.3%. Bariatric surgery is associated with a significant decrease in the number of sleep-related respiratory disturbances, as well as improvement of sleep efficiency. Postoperative CPAP therapy compliance was poor despite low rate of OSA resolution. This study suggests that patients with OSA undergoing bariatric surgery require postoperative reassessment.
Optimized anti-reflection core-shell microspheres for enhanced optical trapping by structured light beams
Authors: Shahabadi Vahid , Madadi Ebrahim , Abdollahpour Daryoush
Published: March 2021

In this paper, we study the optical trapping of anti-reflection core-shell microspheres by regular Gaussian beam and several structured beams including radially polarized Gaussian, petal, and hard-aperture-truncated circular Airy beams. We show that using an appropriate anti-reflection core-shell microsphere for the optical trapping by several structured light beams can dramatically enhance the strength of the trap compared to the trapping by the common Gaussian beam. The optimal core-shell thickness ratio that minimizes the scattering force is obtained for polystyrene-silica and anatase-amorphous titania microspheres, such that the core-shells act as anti-reflection coated microspheres. We show that the trapping strength of the anti-reflection coated microparticles trapped by the common Gaussian beam is enhanced up to 2-fold compared to that of trapped uncoated microparticles, while the trapping of anti-reflection coated microparticles, by the radially polarized beam, is strengthened up to 4-fold in comparison to that of the trapped uncoated microparticles by the Gaussian beam. Our results indicate that for anatase-amorphous titania microparticles highest trap strength is obtained by radially polarized beam, while for the polystyrene-silica microparticles, the strongest trapping is achieved by the petal beam.
Droplet-based blood group antibody screening with laser incubation
Authors: Manderson Clare A. , McLiesh Heather , Tabor Rico F. , Garnier Gil
Published: March 2021

Complete indirect antiglobulin test (IAT) in a single diagnostic incorporating a laser-incubated droplet on a hydrophobic surface with read-out provided by a paper strip.
Molecular origin of viscoelasticity in mineralized collagen fibrils
Authors: Milazzo Mario , David Alessio , Jung Gang Seob , Danti Serena , Buehler Markus J.
Published: March 2021

Bone is mineralized tissue constituting the skeletal system, supporting and protecting the body's organs and tissues. We unveil the molecular origins of its viscoelasticity with a full atomistic model.
In situ FTIR study of CO2 reduction on inorganic analogues of carbon monoxide dehydrogenase
Authors: Lee Ji-Eun , Yamaguchi Akira , Ooka Hideshi , Kazami Tomohiro , Miyauchi Masahiro , Kitadai Norio , Nakamura Ryuhei
Published: March 2021

In situ electrochemical IR study of the CO2 reduction by inorganic analogues of carbon monoxide dehydrogenase (CODH) reveals the critical role of Ni in the activity and selectivity of Fe sulfides for CO2 reduction.
Host–guest binding in water, salty water, and biofluids: general lessons for synthetic, bio-targeted molecular recognition
Authors: Beatty Meagan A. , Hof Fraser
Published: March 2021

For host–guest chemistry, working on biological targets starts with learning how to make systems that work in warm, salty water.
Comprehensive insights into synthetic nitrogen fixation assisted by molecular catalysts under ambient or mild conditions
Authors: Tanabe Yoshiaki , Nishibayashi Yoshiaki
Published: March 2021

N2is fixed as NH3industrially by the Haber–Bosch process under harsh conditions, whereas biological nitrogen fixation is achieved under ambient conditions, which has prompted development of alternative methods to fix N2catalyzed by transition metal molecular complexes.
Time series analysis and long short-term memory (LSTM) network prediction of BPV current density
Authors: Okedi Tonny I. , Fisher Adrian C.
Published: March 2021

LSTM networks are shown to predict the seasonal component of biophotovoltaic current density and photoresponse to high accuracy.
Tough, permeable and biocompatible microfluidic devices formed through the buckling delamination of soft hydrogel films
Authors: Takahashi Riku , Miyazako Hiroki , Tanaka Aya , Ueno Yuko , Yamaguchi Masumi
Published: March 2021

We demonstrate pressure-driven microfluidic devices based on buckle-delaminated architectures of thin hydrogel films, which exhibit high durability, permeability, and biocompatibility with intricate 3D morphologies.
A carbon dots functionalized paper coupled with AgNPs composites platform: application as a sensor for hydrogen peroxide detection based on surface plasmon-enhanced energy transfer
Authors: Zhang Xiaoyue , Chen Siqi , Zhuo Siqi , Ji Yibing , Li Ruijun
Published: March 2021

A paper-based fluorescent sensor (PCD/AgNPs) consisted of CDs functionalized paper and AgNPs was developed for sensing H2O2in milk samples and cancer cells.
DNAzyme-adsorbed polydopamine@MnO2 core–shell nanocomposites for enhanced photothermal therapy via the self-activated suppression of heat shock protein 70
Authors: Xi Yang , Xie Xin , Peng Ying , Liu Peng , Ding Jinsong , Zhou Wenhu
Published: March 2021

DNAzyme adsorbed polydopamine-MnO2 core–shell was constructed for enhanced photothermal therapy via self-activated silencing of heat shock protein 70.
Nanopore decoding for a Hamiltonian path problem
Authors: Takiguchi Sotaro , Kawano Ryuji
Published: March 2021

We describe rapid and label-free decoding of the DNA-computed output for a directed Hamiltonian path problem using nanopore technology.
Multicomponent reactions as a potent tool for the synthesis of benzodiazepines
Authors: Farhid Hassan , Khodkari Vida , Nazeri Mohammad Taghi , Javanbakht Siamak , Shaabani Ahmad
Published: March 2021

The present review covers all synthetic methods based on multicomponent reactions for the preparation of benzodiazepines as the parent cores of many essential drugs.
Material and configuration design strategies towards flexible and wearable power supply devices: a review
Authors: Gao Jiyuan , Shang Kezheng , Ding Yichun , Wen Zhenhai
Published: March 2021

The progress in the fabrication of flexible and wearable energy devices is reviewed in order to provide a panorama of strategies in terms of material synthesis, architecture design, device configuration design, and system integration.
Electrochemical detection of microRNA-21 based on a Au nanoparticle functionalized g-C3N4 nanosheet nanohybrid as a sensing platform and a hybridization chain reaction amplification strategy
Authors: Wang Ya , Li Mengyao , Zhang Yuzhong
Published: March 2021

Gel electrophoresis image obtained at various conditions.
Selective dual detection of Hg2+ and TATP based on amphiphilic conjugated polythiophene-quantum dot hybrid materials
Authors: Tawfik Salah M. , Abd-Elaal Ali A. , Lee Yong-Ill
Published: March 2021

The design of multifunctional sensors based on biocompatible hybrid materials consisting of conjugated polythiophene-quantum dots for multiple environmental pollutants is a promising strategy for the development of new monitoring technologies.
A series of oxysulfides RE2M2S3O4(RE = Y, Tm; M = Zr, Hf) featuring a unique MS3O4motif and {[M2S3O4]8−}∞wrinkle layer
Authors: Lu Zhen-Tao , Yang Si-Han , Liu Wenlong , Guo Sheng-Ping
Published: March 2021

The structures of new RE, M-oxysulfides (RE = Y, Tm; M = Zr, Hf) feature a unique MS3O4motif and {[Zr2S3O4]8−}∞wrinkle layer, which can be derived from well-known RE2Ti2S2O5viasimply modulating the S/O ratios.
Recent advances in probing host–guest interactions with solid state nuclear magnetic resonance
Authors: Hughes Ashlea R. , Blanc Frédéric
Published: March 2021

A recent update on how solid state NMR has aided the interpretation and understanding of host–guest interactions in the field of supramolecular assemblies is provided.
Generality of liquid precursor phases in gas diffusion-based calcium carbonate synthesis
Authors: Gindele Maxim B. , Steingrube Luisa Vanessa , Gebauer Denis
Published: March 2021

We confirm the presence of liquid calcium carbonate precursor species in absence of additives in gas diffusion systems.
A first-principles study on the properties of Sn-doped LiCoO2 for Li-ion batteries
Authors: Yang Ruhan , Guan Mengke , Zhao Ruirui , Luo Qiong
Published: March 2021

The key for the application of LiCoO2 as a lithium-ion battery electrode at high voltage is to suppress the irreversible phase transformation from the layered to the spinel/rocksalt structure during cycling.
Expanding nanoparticle multifunctionality: size-selected cargo release and multiple logic operations
Authors: Chen Wei , Cheng Chi-An , Xiang Danlei , Zink Jeffrey I.
Published: March 2021

We report the design, synthesis and function of core@shell nanoparticles that are responsive to purely physical stimuli and that have two unusual and disparate properties: they release size-selected cargo and function as Boolean logic gates.
Regiocontrolled synthesis of 2,4,6-triarylpyridines from methyl ketones, electron-deficient acetylenes and ammonium acetate
Authors: Shabalin Dmitrii A. , Dvorko Marina Yu. , Schmidt Elena Yu. , Trofimov Boris A.
Published: March 2021

A simple method to access unsymmetrical 2,4,6-triarylpyridines starting from available methyl ketones and electron-deficient acetylenes was developed.
Emergent synthetic methods for the modular advancement of sp3-rich fragments
Authors: Caplin Max J. , Foley Daniel J.
Published: March 2021

This Perspective reviews recently developed methods that are likely to be of value to the elaboration of sp3-rich fragments from carbon-centred vectors, whilst maintaining key fragment-to-target binding interactions.
Photo-powered integrated supercapacitors: a review on recent developments, challenges and future perspectives
Authors: K. Namsheer , Rout Chandra Sekhar
Published: March 2021

Herein, working principles, factors influencing the device performance, evaluation parameters and recent developments on photo-charged supercapacitor devices are reviewed.
Direct UV written waveguides and Bragg gratings in doped planar silica using a 213 nm laser
Authors: Ahmed Q. Salman , Gow Paul C. , Holmes Christopher , Mennea Paolo L. , Field James W. , Bannerman Rex H.S. , Smith Devin H. , Gawith Corin B.E. , Smith Peter G.R. , Gates James C.
Published: March 2021

In this paper, the first demonstration of simultaneous UV written Bragg gratings and waveguides in germanium and boron‐doped planar silica is presented using a 5th harmonic solid‐state nanosecond laser operating at 213 nm wavelength. The fabrication of high‐quality gratings by using a high peak power density, yielding sufficient uniformity and without any surface damage is demonstrated. The photosensitivity of the doped silica layer is investigated by measuring the local effective refractive index of the optical modes. The written gratings are used to measure grating refractive index modulation, grating detuning bandwidth and the waveguide propagation loss with a minimum value of 0.28 0.07 dB cm. This paper shows that this new generation of pulsed UV lasers is a promising alternative for conventional longer wavelength CW laser sources used in small spot direct grating writing in doped silica.
Item‐to‐item recommender system with simultaneous use of multiple images for image mosaicking creation in dynamic scenes
Authors: Laaroussi Saadeddine , Baataoui Aziz , Halli Akram , Satori Khalid
Published: March 2021

Image mosaicking is a series of successive algorithms that use a sequence of images or a video of a scene to create a single image with a wider field of view of the whole scene. In most cases, when dynamic objects exist in the input data, issues, such as ghosting, parallax effects or object duplication, are visible in the resulting mosaic. These technical errors appear when the objects in motion aren't properly treated. In order to create good result mosaics, a new method is presented in this paper. The proposed approach uses all the images at the same time to divide the images into different areas by using k‐means clustering to create categories, then each category is recommended from the original images with a recommender system. In fact, by considering each image as a user, each pixel as an item, and each item belonging to a category, it is possible to use a recommender system by computing scores with the item profiles. The resulting mosaic will then be a new user to the system. Furthermore, by clustering the images, projection errors are avoided and a better quality mosaic can be created as is seen in the obtained results.
Deep adaptive learning for safe and efficient navigation of pedestrian dynamics
Authors: Pugh Nigel , Park Hyoshin , Derjany Pierrot , Liu Dahai , Namilae Sirish
Published: March 2021

An efficient and safe evacuation of passengers is important during emergencies. Overcapacity on a route can cause an increased evacuation time. Decision making is essential to optimally guide and distribute pedestrians to multiple routes while ensuring safety. Developing an optimal pedestrian path planning route while considering learning dynamics and uncertainties in the environment generated from pedestrian behaviour is challenging. While previous evacuation planning studies have focused on either simulation of realistic behaviours or simple route planning, the best route decisions with several intermediate decision‐points, especially under real‐time changing environments, have not been considered. This paper develops an optimal navigation model providing more navigation guidance for evacuation emergencies to minimize the total evacuation time while considering the influence of other passengers based on the social‐force model. The integration of the optimal navigation model was ultimately able to reduce the overall evacuation time of multiple scenarios presented with two different overall pedestrian totals. The overall maximum evacuation time savings presented was 10.6%.
Regularised discretisations obtained from first‐kind Fredholm operator equations
Authors: Fikioris George
Published: March 2021

Judicious discretisations of certain first‐kind Fredholm operator equations are tantamount to Fredholm infinite‐matrix equations of the second kind. We give detailed explanations for the occurrence of this interesting and useful phenomenon and carefully examine the behaviour of the discretisations, especially with respect to matrix condition numbers. Our main tool is a certain equivalence of the discretisations――within the context of finite matrices―to discretisations of Fredholm operator equations of the second kind.
Messunsicherheit und Minimale Differenz bei Diagnosestellung und Kontrolle des Therapieverlaufs des Diabetes mellitus
Authors: Petersmann Astrid , Nauck Matthias
Published: March 2021

Im Alltag einer diabetologischen Praxis werden laboratoriumsmedizinische Untersuchungen sowohl für die Diagnosestellung als auch für die Therapieüberwachung eingesetzt. Nicht immer ist den Nutzern dieser Diagnostik bewusst, dass jedes Ergebnis mit einer Messunsicherheit behaftet ist. Lediglich das Ausmaß der Messunsicherheit kann beeinflusst werden. Die Minimale Differenz beschreibt die Messunsicherheit nachvollziehbar und kann bei der Interpretation des Messwertes direkt auf diesen angewendet werden. Die Minimale Differenz ist besser geeignet als die in der Laborwelt gut etablierte Angabe des Variationskoeffizienten in Prozent, da die Minimale Differenz die Messunsicherheit in der Einheit des Analyten angibt. Laboratorien sowie Hersteller von Geräten, Reagenzien und Software sind gleichermaßen gefordert, diese Information zur Messunsicherheit für die Patientenversorgung leicht und intuitiv zugänglich zu machen.
„Evolution oder Wie der Mensch das Bewusstsein erlangte“
Authors: Jordan Wolfgang
Published: March 2021

In einer satirischen Geschichte wird geschildert, wie der erste Mensch sein „Bewusstsein“ erlangte.
A comparison between 25-gauge and 22-gauge Franseen needles for endoscopic ultrasound-guided sampling of pancreatic and peripancreatic masses: a randomized non-inferiority study
Authors: Oh Dongwook , Kong Joonseog , Ko Sung Woo , Hong Seung-Mo , So Hoonsub , Hwang Jun Seong , Song Tae Jun , Lee Sung Koo , Kim Myung-Hwan , Lee Sang Soo
Published: March 2021

Background Endoscopic ultrasound (EUS)-guided fine-needle aspiration (FNA) and fine-needle biopsy (FNB) are the current standard of care for sampling pancreatic and peripancreatic masses. Recently, a 22G EUS-FNB needle with Franseen geometry was developed, and this device was also introduced in a 25G platform. We compared the performance of the 25G and 22G Franseen needles for EUS-guided sampling of pancreatic and peripancreatic solid masses.

Methods We conducted a parallel-group randomized non-inferiority trial at a tertiary-care center from November 2018 to May 2019. The primary outcome was the quality of the histologic core assessed using the Gerke score. The optimal histologic core is indicated by a Gerke score of 4 or 5, which enables optimal histologic interpretation. The overall diagnostic accuracy and adverse event rate were also evaluated.

Results 140 patients were enrolled and randomized (1:1) to the 25G and 22G groups. Tissue acquisition by EUS-FNB was successful in all patients. The optimal histologic core procurement rate was 87.1 % (61/70) for the 25G needle vs. 97.1 % (68/70) for the 22G; difference −10 % (95 % confidence interval −17.35 % to −2.65 %). High quality specimens were more frequently obtained in the 22G group than in the 25G group (70.0 % [49/70] vs. 28.6 % [20 /70], respectively; P < 0.001). The overall diagnostic accuracy did not differ between the groups (97.4 % for 25G vs. 100 % for 22G).

Conclusions The 25G Franseen needle was inferior to the 22G needle in histologic core procurement. Therefore, for cases in which tissue architecture is pivotal for diagnosis, a 22G needle, which procures relatively higher quality specimens than the 25G needle, should be used.
Advanced characterization methods of carrier transport in quantum dot photovoltaic solar cells
Authors: Hu Lilei , Mandelis Andreas
Published: March 2021

Solution-processed colloidal quantum dot (CQD) solar cells are lightweight, flexible, inexpensive, and can be spray-coated on various substrates. However, their power conversion efficiency is still insufficient for commercial applications. To further boost CQD solar cell efficiency, researchers need to better understand and control how charge carriers and excitons transport in CQD thin films, i.e., the CQD solar cell electrical parameters including carrier lifetime, diffusion length, diffusivity, mobility, drift length, trap state density, and doping density. These parameters play key roles in determining CQD thin film thickness and surface passivation ligands in CQD solar cell fabrication processes. To characterize these CQD solar cell parameters, researchers have mostly used transient techniques, such as short-circuit current/open-circuit voltage decay, photoconductance decay, and time-resolved photoluminescence. These transient techniques based on the time-dependent excess carrier density decay generally exhibit an exponential profile, but they differ in the signal collection physics and can only be used in some particular scenarios. Furthermore, photovoltaic characterization techniques are moving from contact to non-contact, from steady-state to dynamic, and from small-spot testing to large-area imaging; what are the challenges, limitations, and prospects? To answer these questions, this Tutorial, in the context of CQD thin film and solar cell characterization, looks at trends in characterization technique development by comparing various conventional techniques in meeting research and/or industrial demands. For a good physical understanding of material properties, the basic physics of CQD materials and devices are reviewed first, followed by a detailed discussion of various characterization techniques and their suitability for CQD photovoltaic devices.
Surface effects on domain switching of a ferroelectric thin film under local mechanical load: A phase-field investigation
Authors: Qi Changjun , Wang Xingzhe
Published: March 2021

Flexoelectricity arises from electromechanical coupling of a strain gradient and electrical polarization, which makes mechanical manipulation of ferroelectric domains possible in a ferroelectric. However, surface effects in ferroelectric ultrathin films, even at nanoscale thicknesses, cannot be ignored. In this paper, a phase-field approach that incorporates flexoelectricity and surface effects into the free energy was extended to evaluate domain switching of ferroelectric polarization in a ferroelectric thin film under local mechanical loads. The model predicted that microscopic 180° domains were formed near where the load was applied to the film surface during switching of ferroelectric polarizations. The reversal of micro-domains within the region of ferroelectric polarization was reduced over time, and it even disappeared when a final stable state was reached. The mechanism of 180° domain formation was studied by examining surface displacement and related strain gradients and flexoelectric fields. Switching of ferroelectric domains driven by mechanical loads revealed a size-dependent characteristic that becomes more apparent as the thin film thickness or the length of the load area decreases. Surface effects significantly alter the polarization field, and a narrower local load can suppress mechanical switching of ferroelectric polarization.
Identification of static nonlinearities by sinusoidal excitation with variable DC offsets
Authors: Kranemann Tim C. , Schmitz Georg
Published: March 2021

When identifying nonlinear systems with input–output measurements, a suitable test signal must be selected. Nonlinear systems are almost always in a cascade with linear systems, i.e., a Wiener–Hammerstein type system cascade. A suitable test signal is preferably less influenced by the linear systems and is therefore sinusoidal, if time-varying signals are required for the measurement principle, e.g., for induction or vibration measurements. Then, a sinusoidal excitation with different DC offsets is a suitable signal to analyze a static nonlinear system in a Wiener–Hammerstein type cascade by measuring the cascade output at higher harmonics of the input frequency in a steady state, e.g., by using sensitive lock-in techniques. To calculate the cascade output given the input signal or to reconstruct the static nonlinear system also given the output signal, the transfer function of the DC offset at the nonlinear system input to the higher harmonics at the nonlinear system output is required. Those transfer functions are calculated here with emphasis on the first harmonic component. The reconstruction of a static nonlinear system is demonstrated in a simple simulation scenario by inverse filtering, i.e., deconvolution, with the derived transfer function. It is pointed out that a commonly made small signal assumption to the test signal is bypassed with the deconvolution method, which can lead to more precise measurements in applications due to a higher signal-to-noise ratio at the cascade output.
Explicitly correlated potential energy surface of the CH3Cl–He van der Waals complex and applications
Authors: Ben Krid A. , Ajili Y. , Ben Abdallah D. , Dhib M. , Aroui H. , Hochlaf M.
Published: March 2021

A new 3D-potential energy surface (3D-PES) for the weakly bound CH3Cl–He complex is mapped in Jacobi coordinates. Electronic structure calculations are performed using the explicitly correlated coupled clusters with single, double, and perturbative triple excitations approach in conjunction with the aug-cc-pVTZ basis set. Then, an analytical expansion of this 3D-PES is derived. This PES shows three minimal structures for collinear C–Cl–He arrangements and for He located in between two H atoms, in the plane parallel to the three H atoms, which is near the center of mass of CH3Cl. The latter form corresponds to the global minimum. Two maxima are also found, which connect the minimal structures. We then evaluated the pressure broadening coefficients of the spectral lines of CH3Cl in a helium bath based on our ab initio potential. Satisfactory agreement with experiments was observed, confirming the good accuracy of our 3D-PES. We also derived the bound rovibronic levels for ortho- and para-CH3Cl–He dimers after quantum treatment of the nuclear motions. For both clusters, computations show that although the ground vibrational state is located well above the intramolecular isomerization barriers, the rovibronic levels may be associated with a specific minimal structure. This can be explained by vibrational localization and vibrational memory effects.
Field-free and sub-ns magnetization switching of magnetic tunnel junctions by combining spin-transfer torque and spin–orbit torque
Authors: Zhang Chaoliang , Takeuchi Yutaro , Fukami Shunsuke , Ohno Hideo
Published: March 2021

We investigate the magnetization switching via a combination of spin-transfer torque (STT) and spin–orbit torque (SOT). STT and SOT are simultaneously induced by a pulsed current flowing through an in-plane easy-axis magnetic tunnel junction and an underneath Ta/W channel. SOT allows the magnetization to be switched with the sub-ns pulse down to 200 ps and STT eliminates the necessity of an external field. The switching current is much smaller than the case driven solely by STT in the short pulse regime. We also compare the threshold current between two structures having orthogonal (Type Y) and collinear (Type X) magnetic easy axes to the longitudinal direction of the channel and find that the Type X achieves smaller switching current by a factor of 1/4 at 200 ps.
A novel non-equilibrium memristor-based system with multi-wing attractors and multiple transient transitions
Authors: Gu Shuangquan , Peng Qiqi , Leng Xiangxin , Du Baoxiang
Published: March 2021

Based on the pure mathematical model of the memristor, this paper proposes a novel memristor-based chaotic system without equilibrium points. By selecting different parameters and initial conditions, the system shows extremely diverse forms of winglike attractors, such as period-1 to period-12 wings, chaotic single-wing, and chaotic double-wing attractors. It was found that the attractor basins with three different sets of parameters are interwoven in a complex manner within the relatively large (but not the entire) initial phase plane. This means that small perturbations in the initial conditions in the mixing region will lead to the production of hidden extreme multistability. At the same time, these sieve-shaped basins are confirmed by the uncertainty exponent. Additionally, in the case of fixed parameters, when different initial values are chosen, the system exhibits a variety of coexisting transient transition behaviors. These 14 were also where the same state transition from period 18 to period 18 was first discovered. The above dynamical behavior is analyzed in detail through time-domain waveforms, phase diagrams, attraction basin, bifurcation diagrams, and Lyapunov exponent spectrum . Finally, the circuit implementation based on the digital signal processor verifies the numerical simulation and theoretical analysis.
Breaking atomic-level ordering via biaxial strain in functional oxides: A DFT study
Authors: Rawat Kanishk , Fong Dillon D. , Aidhy Dilpuneet S.
Published: March 2021

Oxygen vacancies are found to play a crucial role in inducing many functional properties at the heterointerfaces in complex oxides. Gaining better control over the properties requires an understanding of the atomic structure of oxygen vacancies at the heterointerfaces. In this paper, we elucidate the effects of the interfacial strain on the oxygen-vacancy ordering in fluorite δ-Bi2O3 and perovskite LaNiO2.5 using first-principles calculations. By applying biaxial strains, we find that the 〈110〉−〈111〉 oxygen vacancy order in δ-Bi2O3 is broken, resulting in a faster diffusion of oxygen ions. Similarly, the biaxial strain is used to leverage both ordered and disordered arrangements of vacancies in LaNiO2.5. Besides the vacancy order, we find that the biaxial strain can also be used to break the cation order in Gd2Ti2O7, where Gd and Ti antisites can be created on the cation sublattice, which leads to enhanced radiation tolerance and higher oxygen diffusivity. These results indicate that the biaxial strain that is commonly present at heterointerfaces can be used to gain control over both ordered and disordered arrangements of defects, potentially opening new opportunities to functionalize complex oxides.
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations
Authors: Fortino Mariagrazia , Collini Elisabetta , Bloino Julien , Pedone Alfonso
Published: March 2021

The non-radiative relaxation process within the Q-bands of chlorophylls represents a crucial preliminary step during the photosynthetic mechanism. Despite several experimental and theoretical efforts performed in order to clarify the complex dynamics characterizing this stage, a complete understanding of this mechanism is still far to be reached. In this study, non-adiabatic excited-state molecular dynamic simulations have been performed to model the non-radiative process within the Q-bands for a model system of chlorophylls. This system has been considered in the gas phase and then, to have a more representative picture of the environment, with implicit and mixed implicit–explicit solvation models. In the first part of this analysis, absorption spectra have been simulated for each model in order to guide the setup for the non-adiabatic excited-state molecular dynamic simulations. Then, non-adiabatic excited-state molecular dynamic simulations have been performed on a large set of independent trajectories and the population of the Qx and Qy states has been computed as the average of all the trajectories, estimating the rate constant for the process. Finally, with the aim of investigating the possible role played by the solvent in the Qx–Qy crossing mechanism, an essential dynamic analysis has been performed on the generated data, allowing one to find the most important motions during the simulated dynamics.
High-energy-density-physics measurements in implosions using Bayesian inference
Authors: Ruby J. J. , Gaffney J. A. , Rygg J. R. , Ping Y. , Collins G. W.
Published: March 2021

Convergent high-energy-density (HED) experimental platforms are used to study matter under some of the most extreme conditions that can be produced on Earth, comparable to the interior of stars. There are many challenges in using these systems for fundamental measurements currently being addressed by new analysis methods, such as the combination of a reduced physics model and Bayesian inference, allowing a self-consistent inference of physical quantities with a robust error analysis. These methods in combination with simple (as compared to inertial confinement fusion implosions) implosion platforms, which can be modified to show sensitivity to different physical mechanisms of interest, are used to study the physical properties of matter under extreme conditions. This work discusses a subset of implosion targets for studying opacity effects, electron–ion equilibration, and thermal conductivity and, as an example, a system consisting of a thick-shelled, gas-filled laser-direct-drive implosion is used to show how a reduced model and Bayesian inference can help inform experimental design decisions such as diagnostic choice. It is shown that for this system that a combination of neutron and x-ray self-emission diagnostics is critical for constraining the details of the thermodynamic states in the system and that the conductivity exponent in a Spitzer like framework can be constrained to the 30% level in deuterium at gigabar conditions. This process can be applied to many HED systems to make underlying model assumptions explicit and facilitate experimental design and analysis.
Alfvénic modes excited by the kink instability in PHASMA
Authors: Shi Peiyun , Srivastav Prabhakar , Beatty Cuyler , John Regis , Lazo Matthew , McKee John , McLaughlin Jacob , Moran Michael , Paul Mitchell , Scime Earl E. , Scime Ethan E. , Thompson Derek , Steinberger Thomas
Published: March 2021

Magnetic flux ropes have been successfully created with plasma guns in the newly commissioned PHAse Space MApping (PHASMA) experiment. The flux ropes exhibit the expected m = 1 kink instability. The observed threshold current for the onset of this kink instability is half of the Kruskal–Shafranov current limit, consistent with predictions for the non-line tied boundary condition of PHASMA. The helicity, paramagnetism, and growth rate of the observed magnetic fluctuations are also consistent with kink instability predictions. The observed fluctuation frequency appears to be a superposition of a real frequency due to a Doppler shift of the kink mode arising from plasma flow (∼2 kHz) and a contribution from a wave mode (∼5 kHz). The dispersion of the wave mode is consistent with an Alfvén wave. Distinct from most previous laboratory studies of flux ropes, the working gas in PHASMA is argon. Thus, the ion cyclotron frequency in PHASMA is quite low and the frequency of the Alfvénic mode plateaus at ∼0.5 of the ion gyro frequency with increasing background magnetic field strength.
Production of metallic ion beams by electron cyclotron resonance ion sources equipped with inductive heating ovens at the Institute of Modern Physics
Authors: Lu W. , Qian C. , Zhang W. H. , Ma H. Y. , Ma J. D. , Feng Y. C. , Li L. B. , Li L. X. , Guo J. W. , Huang W. , Zhang X. Z. , Sun L. T. , Zhao H. W.
Published: March 2021

A high-temperature oven based on the inductive heating technology was developed successfully at the Institute of Modern Physics in 2019. This oven features a durable operation temperature of over 2000 °C inside the tantalum susceptor. By carefully designing the oven structure, the material compatibility issue at high temperature has been successfully solved, which enables the production and routine operation of refractory metal ions with SECRAL-II (Superconducting Electron Cyclotron Resonance ion source with Advanced design in Lanzhou No. 2). To further apply this type of oven to the room temperature ECR ion sources LECR4 and LECR5 (Lanzhou Electron Cyclotron Resonance ion source No. 4 and 5), a mini-inductive heating oven has been fabricated and tested in 2020. By directly evaporating calcium oxide, some high charge state calcium beams have been produced successfully, such as 52 euA of 40Ca16+, 30 euA of 40Ca17+, and 12 euA of 40Ca18+. The detailed design and testing results will be presented and discussed.
The impact of elevated ozone on growth, secondary metabolites, production of reactive oxygen species and antioxidant response in an anti-diabetic plant Costus pictus
Authors: Ansari Naushad , Yadav Durgesh S. , Agrawal Madhoolika , Agrawal Shashi B.
Published: March 2021

Tropospheric ozone (O3) is a global air pollutant that causes deleterious effect to the plants. The present objective was to investigate the growth response, foliar injury, reactive oxygen species (ROS) accumulation and metabolites production in Costus pictus D. Don (insulin plant) at two developmental stages under ambient O3 (AO) and ambient + 20 ppb O3 (EO) using the open-top chambers (OTCs). A significant reduction in leaf area and total biomass was observed under EO as compared with AO. EO induced ROS (.O2– and H2O2) and lipid peroxidation led to more significant foliar injury and solute leakage. Image obtained from the fluorescence microscope and biochemical estimations reflected high levels of ROS under EO. A differential response in flavonoids and anthocyanin content, ascorbic acid, and antioxidative enzymes such as catalase (CAT), superoxide dismutase (SOD) and peroxidase (POX) has been observed with the growth stages of C. pictus plant. EO exposure negatively affected thiols and protein contents at all the growth stages. Secondary metabolites (tannins, lignin, saponins and alkaloids) were increased in both leaves and rhizomes due to EO, whereas phytosterols were induced only in rhizomes. Apart from other metabolites, the key bioactive compound (corosolic acid) showed its synthesis to be stimulated under EO at later growth stage. The study concludes that O3 is a potent stimulating factor for changing the levels of secondary metabolites and antioxidants in an antidiabetic C. pictus plants as it can alter its medicinal properties.
Mesoscopic protein-rich clusters host the nucleation of mutant p53 amyloid fibrils
Authors: Yang David S. , Saeedi Arash , Davtyan Aram , Fathi Mohsen , Sherman Michael B. , Safari Mohammad S. , Klindziuk Alena , Barton Michelle C. , Varadarajan Navin , Kolomeisky Anatoly B. , Vekilov Peter G.
Published: March 2021

Significance

The mesoscopic p53-rich clusters that we discover represent a new class of biological condensate, distinct from amorphous and ordered aggregates and the dense liquids found with several physiologically active proteins. The demonstrated two-step mechanism of amyloid fibril nucleation, whereby the clusters host the nucleation of p53 amyloid fibrils, illustrates the potency of recently identified nonclassical nucleation concepts to understand intracellular processes. This finding establishes a new biophysical paradigm for the assembly of numerous ordered functional and pathological biological solids, such as tubules, filaments, sickle cell polymers, amyloids, and crystals.
High-sensitivity heat-capacity measurements on Sr
2
RuO
4
under uniaxial pressure
Authors: Li You-Sheng , Kikugawa Naoki , Sokolov Dmitry A. , Jerzembeck Fabian , Gibbs Alexandra S. , Maeno Yoshiteru , Hicks Clifford W. , Schmalian Jörg , Nicklas Michael , Mackenzie Andrew P.
Published: March 2021

Significance

Research on the unconventional superconductivity of

S
r

2

R
u
O

4

is undergoing a renaissance since recent spin susceptibility measurements ruling out the spin triplet order parameter which had been widely favored for over two decades. With ultrasound, Kerr rotation, and muon spin relaxation data all providing evidence for a two-component order parameter, it is vital that this possibility be investigated thermodynamically by studying the dependence of the heat-capacity anomaly on uniaxial pressure. Here, the relevant experimental results are combined with theoretical analysis that shows how strongly the data constrain theories of the order parameter. In particular, we do not observe any signs of transition splitting of two-order-parameter components.

S
r

2

R
u
O

4

thus offers a unique test bed for theories of unconventional superconductivity.
Designing self-assembling kinetics with differentiable statistical physics models
Authors: Goodrich Carl P. , King Ella M. , Schoenholz Samuel S. , Cubuk Ekin D. , Brenner Michael P.
Published: March 2021

Significance

Engineering at the nanoscale is rich and complex: researchers have designed small-scale structures ranging from smiley faces to intricate sensors. However, designing specific dynamical features within these structures has proven to be significantly harder than designing the structures themselves. Biology, on the other hand, demonstrates fine-tuned kinetic control at nearly all scales: viruses that form too quickly are rarely infectious, and proper embryonic development depends on the relative rate of tissue growth. Clearly, kinetic features are designable and critical for biological function. We demonstrate a method to control kinetic features of complex systems and apply it to two classic self-assembly systems. Studying and optimizing for kinetic features, rather than static structures, opens the door to a different approach to materials design.
Phase separation of Axin organizes the β-catenin destruction complex
Authors: Nong Junxiu , Kang Kexin , Shi Qiaoni , Zhu Xuechen , Tao Qinghua , Chen Ye-Guang
Published: March 2021

In Wnt/β-catenin signaling, the β-catenin protein level is deliberately controlled by the assembly of the multiprotein β-catenin destruction complex composed of Axin, adenomatous polyposis coli (APC), glycogen synthase kinase 3β (GSK3β), casein kinase 1α (CK1α), and others. Here we provide compelling evidence that formation of the destruction complex is driven by protein liquid–liquid phase separation (LLPS) of Axin. An intrinsically disordered region in Axin plays an important role in driving its LLPS. Phase-separated Axin provides a scaffold for recruiting GSK3β, CK1α, and β-catenin. APC also undergoes LLPS in vitro and enhances the size and dynamics of Axin phase droplets. The LLPS-driven assembly of the destruction complex facilitates β-catenin phosphorylation by GSK3β and is critical for the regulation of β-catenin protein stability and thus Wnt/β-catenin signaling.
Preclinical validation of a potent γ-secretase modulator for Alzheimer’s disease prevention
Authors: Rynearson Kevin D. , Ponnusamy Moorthi , Prikhodko Olga , Xie Yuhuan , Zhang Can , Nguyen Phuong , Hug Brenda , Sawa Mariko , Becker Ann , Spencer Brian , Florio Jazmin , Mante Michael , Salehi Bahar , Arias Carlos , Galasko Douglas , Head Brian P. , Johnson Graham , Lin Jiunn H. , Duddy Steven K. , Rissman Robert A. , Mobley William C. , Thinakaran Gopal , Tanzi Rudolph E. , Wagner Steven L.
Published: March 2021

A potent γ-secretase modulator (GSM) has been developed to circumvent problems associated with γ-secretase inhibitors (GSIs) and to potentially enable use in primary prevention of early-onset familial Alzheimer’s disease (EOFAD). Unlike GSIs, GSMs do not inhibit γ-secretase activity but rather allosterically modulate γ-secretase, reducing the net production of Aβ42 and to a lesser extent Aβ40, while concomitantly augmenting production of Aβ38 and Aβ37. This GSM demonstrated robust time- and dose-dependent efficacy in acute, subchronic, and chronic studies across multiple species, including primary and secondary prevention studies in a transgenic mouse model. The GSM displayed a >40-fold safety margin in rats based on a comparison of the systemic exposure (AUC) at the no observed adverse effect level (NOAEL) to the 50% effective AUC or AUCeffective, the systemic exposure required for reducing levels of Aβ42 in rat brain by 50%.
Hybrid electrical and optical neural interfaces
Authors: Ramezani Zeinab , Seo Kyung Jin , Fang Hui
Published: March 2021

Neural interfaces bridge the nervous system and the outside world by recording and stimulating neurons. Combining electrical and optical modalities in a single, hybrid neural interface system could lead to complementary and powerful new ways to explore the brain. This convergent approach has gained robust and exciting momentum recently in neuroscience and neural engineering research. Here, we review developments in the past several years aiming to achieve such hybrid electrical and optical microsystem platforms. Specifically, we cover three major categories of technological advances: transparent neuroelectrodes, optical neural fibers with electrodes, and neural probes/grids integrating electrodes and microscale light-emitting diodes. We analyze examples of these probes tailored to combine electrophysiological recording with optical imaging or optical stimulation of the brain and discuss possible directions of future innovation.
Composite metasurface merging frequency selective surface and coding sequences for electromagnetic transmission–diffusion
Authors: Jiang Lixin , Li Yongfeng , Wang He , Zhu Zhibiao , Yuan Qi , Wang Jiafu , Zhang Jieqiu , Qu Shaobo
Published: March 2021

We proposed a composite strategy that integrates the mechanism of a frequency selective surface (FSS) and a coding metasurface to achieve low-frequency transmission and high-frequency diffusion, so called electromagnetic (EM) transmission–diffusion integration. A double-layered metasurface consisting of a bandpass FSS and one-bit chessboard coding metasurface is proposed and fabricated for the EM functionality of transmission–diffusion. The numerical and measured results are in good agreement indicating that high-efficiency transmission and diffusion can be simultaneously achieved in the frequency bands of 4.9–6.3 GHz and 10–35 GHz, respectively. Simultaneously, the application of the proposed structure on the curved surface is verified by simulation, and transmission–diffusion performance is also obtained. Encouragingly, the proposed metasurface provides a novel approach for obtaining a wideband transmission window and diffusion within a single metasurface, which may find potential applications in the fields of integrated EM systems and stealthy radomes.