bluuebunny/crossref_metadata_2025 huggingface dataset:
Photoactive oligomer with D–D′–A–D′–D′′–D′–A–D′–D scaffold for high-efficiency NIR-II phototheranostics
Authors: Wang Qi , Liu Jiawei , Zhang Xinmin , Tang Youguang , Xiong Yanwei , Zhang Liangliang , Xiao Tangxin , Fan Quli
Published: July 2023

Highly efficient NIR-II phototheranostic agents O-BT NPs were successfully constructed, which displayed excellent optical absorption, photothermal conversion, NIR-II fluorescence emission and batch-to-batch reproducibility.
A heteroleptic fused bi-cuboctahedral Cu21S2 cluster
Authors: Silalahi Rhone P. Brocha , Chiu Tzu-Hao , Liang Hao , Kahlal Samia , Saillard Jean-Yves , Liu C. W.
Published: July 2023

The addition of two equiv. of trifluoroacetic acid into the cluster templates Cu15H2 or Cu12S provokes the structural change of either the Cu15H2 bicapped icosahedron or the Cu12S cuboctahedron into the Cu21S2 fused bi-cuboctahedron.
A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes
Authors: Cheng Xiuliang , He Yuhang , Song Silin , Lin Yu-Mei , Gong Lei
Published: July 2023

A transition metal- and photosensitizer-free approach has been developed for selective (hetero)arylation of polychlorinated heteroarenes, involving unconventional EDA complexes between two substrates and a basic additive.
Aggregation patterns of curcumin and piperine mixtures in different polar media
Authors: Santos J. R. C. , Abreu P. E. , Marques J. M. C.
Published: July 2023

Molecular dynamics simulations show that the aggregates resulting from mixtures of curcumin and piperine in water mainly form stacked or cage structures with a great fluxional character, which is enhanced in the presence of ethanol molecules.
Mechanistic understanding of the correlation between structure and dynamics of liquid carbonate electrolytes: impact of polarization
Authors: Maiti Moumita , Krishnamoorthy Anand Narayanan , Mabrouk Youssef , Mozhzhukhina Nataliia , Matic Aleksandar , Diddens Diddo , Heuer Andreas
Published: July 2023

Liquid electrolyte design and modelling is an essential part of the development of improved lithium ion batteries.
Three-body potential and third virial coefficients for helium including relativistic and nuclear-motion effects
Authors: Lang Jakub , Garberoglio Giovanni , Przybytek Michał , Jeziorska Małgorzata , Jeziorski Bogumił
Published: July 2023

The non-additive three-body interaction potential for helium was computed using the coupled-cluster theory and the full configuration interaction method.
Regulation of stability and density of energetic materials via isomerism
Authors: Zhang Wenjin , Yang Yiling , Shi Shaoyi , Pang Siping , Li Yuchuan , Sun Chenghui
Published: July 2023

We have achieved selective regulation of the stability and density of 4-nitro-1,2,3-triazole. The resulting compounds exhibit excellent detonation properties and impact sensitivity that are comparable to those of HMX.
NEXAFS spectra of model sulfide chains: implications for sulfur networks obtained from inverse vulcanization
Authors: de Kock Sunel , Skudler Konstantin , Matsidik Rukiya , Sommer Michael , Müller Matthias , Walter Michael
Published: July 2023

Excellent agreement between simulated and experimental S(1s) near edge X-ray absorption fine structure (NEXAFS) spectra of small molecules allows for the analysis of real battery materials.
Oxygenase mimicking immobilised iron complex catalysts for alkane hydroxylation with H2O2
Authors: Sakakura Seiya , Kitamoto Ryunosuke , Goto Kazuki , Miura Seito , Takeda Takamasa , Okamura Masaya , Fukatsu Arisa , Itoh Shinobu , Hikichi Shiro
Published: July 2023

Immobilised iron complex catalysts with hydrophobic reaction fields mimicking the active sites of enzymes constructed into the mesopores of SBA-15. Surface modification with a longer fluoroalkyl chain and Me3Si group improves catalytic activity.
Organometallic Ru, Os, Rh and Ir half-sandwich conjugates of ispinesib – impact of the organometallic group on the antimitotic activity
Authors: Łomzik Michał , Błauż Andrzej , Głodek Marta , Makal Anna , Tchoń Daniel , Ayine-Tora Daniel Moscoh , Hartinger Christian , Rychlik Błażej , Plażuk Damian
Published: July 2023

Conjugating Ru, Os, Rh, and Ir half-sandwich with ispinesib enhanced cytotoxicity. Ru and Rh complexes generate ROS, indicating alternative modes of action beyond KSP inhibition.
Feasibility of achieving two-electron K–O2 batteries
Authors: Qin Lei , Ao Huiling , Wu Yiying
Published: July 2023

A low-barrier, two-step reaction pathway for peroxide-based K–O chemistry is first realized without any catalysts under the inert argon atmosphere.
Chemoenzymatic cascade reaction as a sustainable and scalable access to para-quinols
Authors: Samsonowicz-Górski Jan , Hrunyk Anastasiia , Brodzka Anna , Ostaszewski Ryszard , Koszelewski Dominik
Published: July 2023

A novel protocol for the synthesis of para-quinols from inexpensive phenols based on a chemoenzymatic cascade reaction was developed.
Influence of anions on the synthesis of Cu(i)-based coordination polymers along with a series of derived materials for selective photocatalytic properties
Authors: Zhang Xiao-Sa , Cui Jia-Liang , Liu Yu , Li Wen-Ze , Liu Yan , Xiang Hong , Luan Jian
Published: July 2023

Two anion-regulated Cu-CPs were employed as sacrificial precursors for the synthesis of derived materials by a pyrolysis method. The photocatalytic performances emphasized that anions and doping elements play vital roles in the derived materials.
Anion-induced robust ferroelectricity in sulfurized pseudo-rhombohedral epitaxial BiFeO3 thin films via polarization rotation
Authors: Xi Guoqiang , Pan Zhao , Fang Yue-Wen , Tu Jie , Li Hangren , Yang Qianqian , Liu Chen , Luo Huajie , Ding Jiaqi , Xu Shuai , Deng Shiqing , Wang Qingxiao , Zheng Dongxing , Long Youwen , Jin Kuijuan , Zhang Xixiang , Tian Jianjun , Zhang Linxing
Published: July 2023

A feasible anion engineering strategy by introducing sulfur anions in BiFeO3 epitaxial thin films, resulting in a driven polarization rotation for robust ferroelectricity.
Squaraine-linked zwitterionic COF modified LLZTO nanoparticles for high performance polymer composite electrolytes in Li–S batteries
Authors: Wang Shuo , Li Mengke , Yan Gaojie , Yang Zhipeng , Guo Yuchao , Sun Xi , Wang Yue , Feng Yi , Ding Huili , Zhang Xiaojie
Published: July 2023

LLZTO@HUT4/PEO are employed as considerable PCEs in Li-S batteries, owing to modified lithiophobic interface by zwitterionic COF, which promote Li+ transport, suppress shuttle effect and improve the compatibility of inorganic/organic interface.
Catalytic vs. uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes
Authors: Fadeev Alexander A. , Kotora Martin
Published: July 2023

Simple irradiation of quinones and alkynes with blue light is sufficient to trigger [2 + 2] photocycloadditions giving rise to either fused cyclobutenes or reactive para-quinone methides depending on the quinone structure.
Expeditious preparation of β-sec-alkyl vicinal amino alcohols used for chiral ligand synthesis
Authors: Huang Guoqi , Wu Yu , Gong Hegui , Chen Yunrong
Published: July 2023

An economical route providing quick access to chiral vicinal amino alcohols bearing a symmetric β-sec-alkyl group was developed.
Post-polymerisation diversification of conjugated polymers by an inverse electron demand Diels–Alder reaction
Authors: Png Zhuang Mao , Soo Xiang Yun Debbie , Liew Jun Xiang Damian , Chua Ming Hui , Xiong Shanxin , Zhu Qiang , Xu Jianwei
Published: July 2023

Post-polymerization diversification to tune the optical properties of conjugated polymers was achieved via an effective tetrazine–alkyne inverse electron demand Diels–Alder reaction.
Bi3+/Sm3+ co-doped LiTaO3 photochromic perovskites: an ultrafast erasable optical information storage medium
Authors: Zhang Ruiting , Jin Yahong , Li Yanmei , Wu Haoyi , Hu Yihua
Published: July 2023

LiTaO3:Bi3+/Sm3+ materials exhibit reversible color changes under different wavelength light irradiation, and have an ultra fast photobleaching rate of ~1 s.
Interaction of VIVO–8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization
Authors: Ferraro Giarita , Vitale Luigi , Sciortino Giuseppe , Pisanu Federico , Garribba Eugenio , Merlino Antonello
Published: July 2023

The interaction of [VIVO(8-HQ)2] (8-HQ– = 8-hydroxyquinolato) with RNase A occurs upon binding of Glu111 to [VIVO(8-HQ)(H2O)]+ moiety and release of one 8-HQ–. It is influenced not only by the stability of V species but also by the nature of ligand.
Carbohydrate–macrocycle conjugates for biomedical applications
Authors: Yin Fangqian , Li Juan-Juan , Shi Bingsen , Zhang Kai , Li Xiao-Liu , Wang Ke-Rang , Guo Dong-Sheng
Published: July 2023

We summarized the development of macrocycle-carbohydrate conjugates and their biomedical application in the past decade, and provided our contention regarding the future trend of this topic.
Investigating the effect of curing temperature on the corrosion resistance of epoxy-based composite coatings for aluminium alloy 7075 in artificial seawater
Authors: Khan Arshad Ali , Khan Afzal , Zafar Zainab , Ahmad Ishaq
Published: July 2023

We investigate the effect of curing temperature on the corrosion resistance of epoxy-based composite coatings for aluminum alloy AA7075 in artificial seawater.
Ferrocene to functionalized ferrocene: a versatile redox-active electrolyte for high-performance aqueous and non-aqueous organic redox flow batteries
Authors: Giri Soumen , Dash Ipsa
Published: July 2023

This review article covers various synthesis aspects of functionalized ferrocene as redox-active electrolytes for the development of aqueous and nonaqueous redox flow batteries (RFBs).
A dual functional molecule for perovskite/P3HT interface to achieve stable perovskite solar cells
Authors: Choi Hyuntae , Lim Haeryang , Kim Heesu , Lim Jeongin , Park Minji , Pathak Chandra Shakher , Song Seulki
Published: July 2023

An octylammonium azide was introduced to the interface between perovskite and P3HT. The ammonium group could passivate the perovskite defects. The azide moiety could crosslink with P3HT under UV light, strengthening the interfacial contact.
Novel self-regenerative and non-flammable high-performance hydrogel electrolytes with anti-freeze properties and intrinsic redox activity for energy storage applications
Authors: Ismail Abdelrahman A. M. , Ghanem Loujain G. , Akar Abdallah A. , Khedr Ghada E. , Ramadan Mohamed , Shaheen Basamat S. , Allam Nageh K.
Published: July 2023

We report the rational tailoring of LiBr@PVA-based hydrogel electrolytes with high conductivity, self-regeneration, non-flammability, anti-freezing ability, stability, and intrinsic redox activity with exceptional self-discharge potential.
Advances in hydrogels for the treatment of periodontitis
Authors: Zheng Huiyu , Zhou Yuan , Zheng Yu , Liu Guiting
Published: July 2023

This review presents the lastest advances in the treatment of periodontitis with hydrogels. The pathogenic mechanisms of periodontitis are presented, as well as the progress of hydrogel controlling inflammation and tissue reconstruction.
Anchoring 0D Cd0.5Zn0.5S nanoparticles on a 3D porous N-doped Ti3C2Tx MXene matrix for efficient photocatalytic hydrogen evolution
Authors: Du Ming , Ji Shilei , Qian Canhui , Li Lutao , Chen Wei , Huang Huajie , Yang Jianping , Zhang Jian , Zhu Xinbao , Li Xing’ao
Published: July 2023

The accessibility of photogenerated charge transfer channels and the activity of catalytic reaction sites are critical for efficient hydrogen evolution reaction (HER).
Endocannabinoid signaling and epigenetics modifications in the neurobiology of stress-related disorders
Authors: Coelho Arthur A. , Lima-Bastos Sávio , Gobira Pedro H. , Lisboa Sabrina F.
Published: July 2023

Stress exposure is associated with psychiatric conditions, such as depression, anxiety, and post-traumatic stress disorder (PTSD). It is also a vulnerability factor to developing or reinstating substance use disorder. Stress causes several changes in the neuro-immune-endocrine axis, potentially resulting in prolonged dysfunction and diseases. Changes in several transmitters, including serotonin, dopamine, glutamate, gamma-aminobutyric acid (GABA), glucocorticoids, and cytokines, are associated with psychiatric disorders or behavioral alterations in preclinical studies. Complex and interacting mechanisms make it very difficult to understand the physiopathology of psychiatry conditions; therefore, studying regulatory mechanisms that impact these alterations is a good approach. In the last decades, the impact of stress on biology through epigenetic markers, which directly impact gene expression, is under intense investigation; these mechanisms are associated with behavioral alterations in animal models after stress or drug exposure, for example. The endocannabinoid (eCB) system modulates stress response, reward circuits, and other physiological functions, including hypothalamus–pituitary–adrenal axis activation and immune response. eCBs, for example, act retrogradely at presynaptic neurons, limiting the release of neurotransmitters, a mechanism implicated in the antidepressant and anxiolytic effects after stress. Epigenetic mechanisms can impact the expression of eCB system molecules, which in turn can regulate epigenetic mechanisms. This review will present evidence of how the eCB system and epigenetic mechanisms interact and the consequences of this interaction in modulating behavioral changes after stress exposure in preclinical studies or psychiatric conditions. Moreover, evidence that correlates the involvement of the eCB system and epigenetic mechanisms in drug abuse contexts will be discussed.
A BER formula of OTFS modulation with message‐passing receiver
Authors: Du Peng , Zhang Yuan
Published: July 2023

The orthogonal time frequency space (OTFS) modulation is a promising multicarrier waveform which can have good performance in high‐mobility scenarios. Among various receivers designed for the OTFS modulation, the message‐passing (MP) receiver has received much attention which can achieve a good bit error rate (BER) performance. However, the BER performance of MP receiver is usually obtained through simulations due to the lack of corresponding BER formula in the literature. This work studies the BER formula of OTFS modulation with MP receiver over doubly selective fading channel. Specifically, equivalent signal models of the MP receiver are first defined and the expression of the corresponding signal‐noise‐ratio (SNR) is derived, then the probability distribution function of the SNR is estimated by assuming the distribution of SNR as a lognormal distribution, then the methods to estimate the parameters of the distribution function are proposed, and finally the formula for calculating the BER of the OTFS modulation with MP receiver is obtained. Simulation results verify that the proposed BER formula is accurate.
Model predictive torque control for permanent magnet synchronous motor with hybrid mode duty cycle optimization
Authors: Chen Jundong , He Shaojia , Huang Qian
Published: July 2023

Due to the application of only one voltage vector in a control period, conventional model predictive torque control (MPTC) suffers from relatively large steady‐state ripples. The‐state‐of‐the‐art double‐vector‐based MPTC (DVMPTC) was proposed to improve steady‐state performance. However, its duty cycle optimization method significantly affects the control performances. Thus, MPTC with hybrid mode duty cycle optimization is proposed, which realizes better performance than the universal DVMPTC, and obtains the appropriate average switching frequency, especially at high‐speed domain. The proposed method utilises the universal DVMPTC method, while it equips duty cycle optimization with discrete space vector modulation (DSVM) scheme as the additional constraint for further reducing the reference voltage tracking error that exists in DVMPTC. What's more, rotation module and pre‐selection strategies are involved in simplifying the design of vector selection methods. Comparative simulations and experiments verify the effectiveness of the proposed method.
Cascaded face super‐resolution with shape and identity priors
Authors: Zeng Dan , Li Zelin , Yan Xiao , Jiang Wen , Wang Xinshao , Liu Jiang , Tang Bo
Published: July 2023

Despite impressive progress in face super‐resolution (SR), it is an open challenge to reconstruct a reliable SR face that preserves authentic facial characteristics. Here, the problem of super‐resolving low‐resolution (LR) faces to high‐resolution (HR) ones is addressed. To tackle the ill‐posed nature of face SR, the cascaded super‐resolution network (CSRNet) is proposed to utilize shape and identity priors jointly and progressively, the first to explore multiple priors. Specifically, CSRNet adopts a cascaded structure to transform an LR face to HR face progressively via multiple stages. At each stage, CSRNet forces its output face image to match both the shape priors and identity priors extracted from the ground‐truth HR face. The shape priors estimated in one stage are merged into the inputs of its subsequent stage to provide rich information for the face SR. To generate realistic yet discriminative faces, the cascaded super‐resolution generative adversarial network (CSRGAN) is also proposed to incorporate the adversarial loss and identification loss into CSRNet. Extensive experiments on popular benchmarks show that the CSRNet and CSRGAN outperform existing face SR state‐of‐the‐art methods, both quantitatively and qualitatively, and detailed ablation studies show the advantage of this method.
Surface‐coated polymer nanocomposites containing z‐aligned high‐k nanowires as high‐performance dielectrics at elevated temperatures
Authors: Cheng Sang , Yang Mingcong , Fu Jing , Wang Rui , He Jinliang , Li Qi
Published: July 2023

Recently, demands for high‐performance polymer film capacitors at elevated temperatures have become more urgent. High dielectric constant is essential for dielectric materials to achieve substantial energy density at relatively low electric fields, which is of great significance to practical applications, while improving the permittivity of high‐temperature polymer dielectrics without a remarkable deterioration in other electrical properties still remains a challenge. Here, a polymer nanocomposite containing z‐aligned high‐k nanowires sandwiched by e‐beam evaporation deposited Al2O3 films was developed based on the optimal structure proposed by the phase‐field simulation. It is found that z‐aligned nanowires are more effective in promoting the dielectric constant than random‐aligned ones, and a large increase in dielectric constant is observed at relatively low content of nanofillers. Outer insulating layers effectively suppress the electric conduction and improve the breakdown strength. Consequently, the nanocomposite with only 1 volume fraction of z‐aligned nanowires exhibits a breakdown strength, electrical resistance, and charge–discharge efficiency as high as neat PEI, but more than twice the discharged energy density than it at 150 °C. This study realises the optimal structure predicted by simulation in experiment, obtaining high‐permittivity, high‐temperature nanocomposites at no expense of other electrical properties, and making it possible to achieve high discharged energy density at relatively low electric fields.
Deploying cloud‐native experimental platforms for zero‐touch management 5G and beyond networks
Authors: Barrachina‐Muñoz Sergio , Nikbakht Rasoul , Baranda Jorge , Payaró Miquel , Mangues‐Bafalluy Josep , Kokkinos Panagiotis , Soumplis Polyzois , Kretsis Aristotelis , Varvarigos Emmanouel
Published: July 2023

An experimental framework for managing 5G and beyond networks through cloud‐native deployments and end‐to‐end monitoring is presented. The framework uses containerised network functions in a Kubernetes cluster across a multi‐domain network spanning cloud and edge hosts. End‐to‐end monitoring is demonstrated through Grafana dashboards that showcase both infrastructure resources and radio metrics in two scenarios involving UPF re‐selection and user mobility. As a third scenario, the authors demonstrate how a decision engine interacts with the experimental platform to perform zero‐touch containerised application relocation, highlighting the potential for enabling dynamic and intelligent management of 5G networks and beyond.
An optical digital‐to‐analog converter with a built‐in intensity converter consisting of silicon waveguide
Authors: Aikawa Yohei , Uenohara Hiroyuki
Published: July 2023

Optical digital‐to‐analog converters (DACs) are key to overcoming the enormous power consumption caused by the slowdown of Moore's Law. In previous work, an optical DAC consisting of a signal generator and an intensity converter was presented. The generating component was integrated into the device, but a higher level of device integration is desirable. An optical DAC device with a built‐in intensity converter for a 2‐bit binary phase‐shift keying (BPSK) signal is demonstrated. The integrated device consists of two delay line interferometers (DLIs) with silicon waveguides. The first is used to generate a quadrature PSK (QPSK) signal from two BPSK signals, and the second is used to convert the QPSK constellation into light intensities. Experimental results show that the 2‐bit digital codes 00, 01, 10, and 11 can be successfully converted into four different light intensities depending on their pattern at 10 Gbps.
Protamine dose to neutralize heparin at the completion of cardiopulmonary bypass can be reduced significantly without affecting post-operative bleeding
Authors: Lee Min-Ho , Beck Matthew , Shann Kenneth
Published: July 2023

Background: Systemic anticoagulation with heparin during cardiopulmonary bypass (CPB) should be neutralized by protamine administration to restore normal hemostasis. Our previous study showed the protamine-to-heparin ratio (P-to-H) of 1:1 (1 mg protamine:100 IU circulating heparin; 1.0 Ratio) is likely an overestimation. Thus, we reduced the P-to-H in the HMS Plus Hemostasis Management System to 0.9:1 (0.9 Ratio) for 5 months and then to 0.8:1 (0.8 Ratio). We monitored post-operative (post-op) bleeding in the setting of reduced protamine dose (PD). Methods: We performed a retrospective study of 632 patients (209 for the 1.0 Ratio, 211 for 0.9 Ratio, 212 for 0.8 Ratio group) who underwent cardiac surgery to measure the reduction of PD and how it affects 24-hour (24 h) post-op chest tube output. We also analyzed the entire data set to explore whether further reduction of P-to-H is warranted. Results: While there was no difference in the indexed heparin dose among the three groups, we achieved a significant reduction in the indexed actual protamine dose (APDi) by 24% (0.9 Ratio) and 31% (0.8 Ratio) reductions compared to the 1.0 Ratio group. On average, APDi was 88 ± 22, 67 ± 18, and 61 ± 15 mg/m2 in the 1.0, 0.9, and 0.8 Ratio groups, respectively. We found no significant difference in 24 h post-op bleeding among the three groups. Conclusion: 1.0 Ratio at the completion of CPB is likely an excessive administration of protamine. With the stepwise reduction of PD, we observed no increase in post-op bleeding, which may indicate that no meaningful increase in heparin rebound occurred. In addition, further analysis of the entire data set demonstrates that a 0.75 Ratio is likely sufficient to neutralize the heparin completely.
Few-body hydrodynamic interactions probed by optical trap pulling experiment
Authors: Lee Julian , Cotter Kyle , Elsadek Ibrahim , Comstock Matthew J. , Pressé Steve
Published: July 2023

We study the hydrodynamic coupling of neighboring micro-beads placed in a multiple optical trap setup allowing us to precisely control the degree of coupling and directly measure time-dependent trajectories of entrained beads. We performed measurements on configurations with increasing complexity starting with a pair of entrained beads moving in one dimension, then in two dimensions, and finally a triplet of beads moving in two dimensions. The average experimental trajectories of a probe bead compare well with the theoretical computation, illustrating the role of viscous coupling and setting timescales for probe bead relaxation. The findings also provide direct experimental corroborations of hydrodynamic coupling at large, micrometer spatial scales and long, millisecond timescales, of relevance to, e.g., microfluidic device design and hydrodynamic-assisted colloidal assembly, improving the capability of optical tweezers, and understanding the coupling between micrometer-scale objects within a living cell.
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
Authors: Belkacemi Zineb , Bianciotto Marc , Minoux Hervé , Lelièvre Tony , Stoltz Gabriel , Gkeka Paraskevi
Published: July 2023

The heat shock protein 90 (Hsp90) is a molecular chaperone that controls the folding and activation of client proteins using the free energy of ATP hydrolysis. The Hsp90 active site is in its N-terminal domain (NTD). Our goal is to characterize the dynamics of NTD using an autoencoder-learned collective variable (CV) in conjunction with adaptive biasing force Langevin dynamics. Using dihedral analysis, we cluster all available experimental Hsp90 NTD structures into distinct native states. We then perform unbiased molecular dynamics (MD) simulations to construct a dataset that represents each state and use this dataset to train an autoencoder. Two autoencoder architectures are considered, with one and two hidden layers, respectively, and bottlenecks of dimension k ranging from 1 to 10. We demonstrate that the addition of an extra hidden layer does not significantly improve the performance, while it leads to complicated CVs that increase the computational cost of biased MD calculations. In addition, a two-dimensional (2D) bottleneck can provide enough information of the different states, while the optimal bottleneck dimension is five. For the 2D bottleneck, the 2D CV is directly used in biased MD simulations. For the five-dimensional (5D) bottleneck, we perform an analysis of the latent CV space and identify the pair of CV coordinates that best separates the states of Hsp90. Interestingly, selecting a 2D CV out of the 5D CV space leads to better results than directly learning a 2D CV and allows observation of transitions between native states when running free energy biased dynamics.
Ultra-short-term wind speed prediction based on deep spatial-temporal residual network
Authors: Liang Xinhao , Hu Feihu , Li Xin , Zhang Lin , Feng Xuan , Gunmi Mohammad Abu
Published: July 2023

To maintain power system stability, accurate wind speed prediction is essential. Taking into account the temporal and spatial characteristics of wind speed in an integrated manner can improve the accuracy of wind speed prediction. Considering complex nonlinear spatial factors such as wake effects in wind farms, a deep residual network is valuable in predicting wind speed with a high degree of accuracy. Wind speed data are typically a time series that requires feature extraction and attribute modeling, while maintaining signal integrity. In order to measure the importance of different temporal attributes and effectively aggregate temporal and spatial features, we used a parameter fusion matrix. We introduce a deep spatial-temporal residual network (DST-ResNet) for wind speed prediction that extracts the spatial-temporal characteristics, which can forecast the future wind speed of a multi-site wind farm in a particular region. In this model, wind speed data's nearby property and periodic property are separately modeled using a residual network. The outputs of the two temporal components are dynamically aggregated using a parameter fusion matrix and then fused with additional meteorological features to achieve wind speed prediction. Based on wind data from the National Renewable Energy Laboratory, our experiments show that the proposed DST-ResNet improves prediction accuracy by 8.90%.
Investigation of load effect on the magnetization performance of stator consequent pole memory machine
Authors: Lu Yu-An , Yang Hui , An Qichu , Lyu Shukang , Tu Rui , Liu Danrui , Guo Xijin
Published: July 2023

In this paper, the load effect on the magnetization performance of a stator consequent pole memory machine (SCPMM) is revealed and investigated comprehensively. The topology of the SCPMM is described, and influences of the load effect on the magnetization state (MS) manipulation process are characterized by the magnetic field distributions excited by different types of currents. Subsequently, the demagnetization type induced by the load effect and the cross-coupling phenomenon is identified and analyzed by a virtual linear hysteresis model. The characteristic curves of the magnetizing and demagnetizing processes vs different q-axis armature currents are tested experimentally in a SCPMM prototype. In order to improve the MS manipulation accuracy, a compensation control strategy that takes the load effect into consideration is proposed. Finally, the effectiveness of the proposed compensation control strategy is verified by experiments.
Brillouin laser spectrometer based on spectral compression
Authors: Murray Joseph B. , Murray Matthew J. , Redding Brandon
Published: July 2023

We introduce a spectrometer design that uses Brillouin lasing to perform broadband spectral compression. This approach enables the entire C-band (optical frequencies covering 4 THz, or 25 nm) to be compressed into a 230 MHz wide RF spectrum—allowing a 4 THz wide optical spectrum to be monitored continuously using a standard analog-to-digital converter. This technique is based on the linear dependence of the Brillouin frequency shift on optical wavelength. To use this dependence for spectral analysis, we couple the input optical spectrum into a fiber ring cavity where it acts as an optical pump, exciting a frequency-shifted Brillouin lasing spectrum. The Brillouin lasing spectrum is then referenced to a copy of the original optical spectrum using heterodyne detection, converting the Brillouin frequency shift associated with each lasing mode to the RF domain. The narrow linewidth of the lasing modes enables a precise measurement of individual lines with an uncertainty of 28 MHz (0.2 pm) across a 4 THz band at an update rate of 200 Hz. This simple approach, constructed using standard fiber-coupled telecom components, provides an efficient method for high-resolution, broadband spectral analysis.
Lagrangian Z-vector approach to Bethe–Salpeter analytic gradients: Assessing approximations
Authors: Villalobos-Castro J. , Knysh Iryna , Jacquemin Denis , Duchemin Ivan , Blase Xavier
Published: July 2023

We present an implementation of excited-state analytic gradients within the Bethe–Salpeter equation formalism using an adapted Lagrangian Z-vector approach with a cost independent of the number of perturbations. We focus on excited-state electronic dipole moments associated with the derivatives of the excited-state energy with respect to an electric field. In this framework, we assess the accuracy of neglecting the screened Coulomb potential derivatives, a common approximation in the Bethe–Salpeter community, as well as the impact of replacing the GW quasiparticle energy gradients by their Kohn–Sham analogs. The pros and cons of these approaches are benchmarked using both a set of small molecules for which very accurate reference data are available and the challenging case of increasingly extended push–pull oligomer chains. The resulting approximate Bethe–Salpeter analytic gradients are shown to compare well with the most accurate time-dependent density-functional theory (TD-DFT) data, curing in particular most of the pathological cases encountered with TD-DFT when a nonoptimal exchange–correlation functional is used.
Research on LFM signal parameter estimation method based on Gabor transform to improve MWC system
Authors: Meng Shuo , Meng Chen , Wang Cheng
Published: July 2023

The “compressed sensing” theory is the foundation for the compressed sampling system’s design. In addition to the sparse representation and observation matrix, more studies in compressed sensing theory focus on signal reconstruction and recovery. Only a small number of research studies estimate the original signal parameter information using the compressed sample data. In this research, we propose a linear frequency modulation (LFM) signal parameter estimation approach based on the Gabor transform for the enhanced Modulated Wideband Converter (MWC) system, which can directly estimate the parameters of an LFM signal utilizing compressed sampling data. Based on the MWC system prototype, a better MWC system based on Gabor transform is created by fusing the Gabor transform with compressed sensing theory, and the system’s structure, function, parameter settings, and viability are all examined. Finally, we show through a simulation experiment that the proposed method is capable of accurately estimating the parameter information of a huge broadband LFM signal by merely restoring Gabor coefficients.
High resistive buffer layers by Fermi level engineering
Authors: Dadgar Armin , Borgmann Ralf , Bläsing Jürgen , Strittmatter André
Published: July 2023

An efficient carrier compensation mechanism in semiconductor layers by Fermi-level engineering is demonstrated using the modulation-doping of a deep acceptor and a shallow donor. The punch-through of the depletion region across the whole stack of modulation-doped layers shifts the Fermi level closer toward the midgap position, resulting in the compensation of residual background free carriers. The method represents an alternative to achieve semi-insulating properties in semiconductor materials where a suitable deep acceptor or donor state at the midgap position is not available. We demonstrate the applicability of the concept with a commercially important GaN case study using carbon (deep acceptor) and Si (shallow donor) doping. A strong enhancement of breakdown field strength and reduced charge pileup effects are observed due to the efficient pinning of the Fermi level.
Camera traps show foxes are the major predator of flatback turtle nests at the most important mainland western Australian rookery
Authors: King J. , Whiting S. D. , Adams P. J. , Bateman P. W. , Fleming P. A.
Published: July 2023

Context Quantifying marine turtle-nest depredation by daily observer monitoring requires substantial labour. Aims To quantify nest depredation of the Vulnerable flatback turtle (Natator depressus) at one of its largest rookeries and to compare effectiveness of different monitoring methods. Methods We used daily observer monitoring and passive infrared-camera traps separately or in combination to record nest depredation, and identified impacts on remaining eggs and hatchlings in depredated nests. Key results More than a quarter (28%) of the 69 monitored nests were confirmed as depredated, although this figure is an underestimate of total losses because camera traps detected twice as many depredation events (39%) as did direct observation (17%) (P = 0.012). Cameras also provided important behavioural data and identified predators. Although reptile and bird predators were also recorded, the introduced red fox (Vulpes vulpes) was the primary predator identified, digging into 26% of the monitored nests. More than half of the depredation events by foxes (58% or 11/19 nests) occurred late term, between turtles hatching and emerging from the nest, which therefore means that losses calculated through counts of eggshell left in the nest are underestimates because predation of hatchlings is not included by the eggshell count method. Furthermore, almost half (42%) of all depredated nests were depredated more than once, with some nests opened up to five times, potentially exacerbating clutch losses due to environmental exposure. Conclusions Egg losses for confirmed depredated nests (27 ± 37%, range 0–100%) were three times the background levels (i.e. 9.3% of eggs that failed to hatch as a result of embryo death during development). Implications The results of this study strongly warrant the implementation of ongoing fox predator monitoring and mitigation strategies to protect nests at this nationally, and internationally, conservation-significant population of flatback turtles.
Light drives the developmental progression of outer retinal function
Authors: Bonezzi Paul J. , Tarchick Matthew J. , Moore Brittney D. , Renna Jordan M.
Published: July 2023

The complex nature of rod and cone photoreceptors and the light-evoked responsivity of bipolar cells in the mature rodent retina have been well characterized. However, little is known about the emergent light-evoked response properties of the mouse retina and the role light plays in shaping these emergent responses. We have previously demonstrated that the outer retina is responsive to green light as early as postnatal day 8 (P8). Here, we characterize the progression of both photoreceptors (rods and cones) and bipolar cell responses during development and into adulthood using ex vivo electroretinogram recordings. Our data show that the majority of photoreceptor response at P8 originates from cones and that these outputs drive second-order bipolar cell responses as early as P9. We find that the magnitude of the photoresponse increases concurrently with each passing day of postnatal development and that many functional properties of these responses, as well as the relative rod/cone contributions to the total light-evoked response, are age dependent. We compare these responses at eye opening and maturity to age-matched animals raised in darkness and found that the absence of light diminishes emergent and mature cone-to-bipolar cell signaling. Furthermore, we found cone-evoked responses to be significantly slower in dark-reared retinas. Together, this work characterizes the developmental photoresponsivity of the mouse retina while highlighting the importance of properly timed sensory input for the maturation of the first visual system synapse.
Match-reinforcement learning with time frequency selection for bearing fault diagnosis
Authors: Wang Jiaxuan , Gao Dawei , Zhu Yongsheng , Ren Zhijun , Zhao Rongzhen , Lin Tantao , Yan Ke , Hong Jun
Published: July 2023

Rolling bearings play a vital role in ensuring the safe operation of rotating machinery. However, in many application scenarios, the collected data has a low signal-to-noise ratio and the samples with faults are rare, which affects the generalization capability of the model, making it impossible to achieve accurate diagnosis. To solve this problem, the selection of time-frequency (TF) maps was considered in this paper through reinforcement learning. The TF maps are built by four classical TF characterization methods such as short-time Fourier transform and synchro squeezing transform. And the match-reinforcement learning time frequency selection (MRLTFS) fault diagnosis model is proposed to extract the fault-related features. Experiments show that the proposed MRLTFS method is superior to existing methods in robustness, generalization and feature selection capability.
CT-CBCT deformable registration using weakly-supervised artifact-suppression transfer learning network
Authors: Tian Dingshu , Sun Guangyao , Zheng Huaqing , Yu Shengpeng , Jiang Jieqiong
Published: July 2023

Objective. Computed tomography-cone-beam computed tomography (CT-CBCT) deformable registration has great potential in adaptive radiotherapy. It plays an important role in tumor tracking, secondary planning, accurate irradiation, and the protection of at-risk organs. Neural networks have been improving CT-CBCT deformable registration, and almost all registration algorithms based on neural networks rely on the gray values of both CT and CBCT. The gray value is a key factor in the loss function, parameter training, and final efficacy of the registration. Unfortunately, the scattering artifacts in CBCT affect the gray values of different pixels inconsistently. Therefore, the direct registration of the original CT-CBCT introduces artifact superposition loss. Approach. In this study, a histogram analysis method for the gray values was used. Based on an analysis of the gray value distribution characteristics of different regions in CT and CBCT, the degree of superposition of the artifact in the region of disinterest was found to be much higher than that in the region of interest. Moreover, the former was the main reason for artifact superposition loss. Consequently, a new weakly supervised two-stage transfer-learning network based on artifact suppression was proposed. The first stage was a pre-training network designed to suppress artifacts contained in the region of disinterest. The second stage was a convolutional neural network that registered the suppressed CBCT and CT. Main Results. Through a comparative test of the thoracic CT-CBCT deformable registration, whose data were collected from the Elekta XVI system, the rationality and accuracy after artifact suppression were confirmed to be significantly improved compared with the other algorithms without artifact suppression. Significance. This study proposed and verified a new deformable registration method with multi-stage neural networks, which can effectively suppress artifacts and further improve registration by incorporating a pre-training technique and an attention mechanism.
Primordial black hole production in natural and hilltop inflation
Authors: Cook Jessica L.
Published: July 2023

We consider the possibility of primordial black hole, PBH, formation sourced by a rise in the power spectrum. The power spectrum becomes large at late times due to decay of the inflaton into vectors through a ϕFF̃ coupling. Two background inflaton models which are well supported by current Planck data are considered, natural inflation and hilltop inflation. Many of the papers considering formation of PBHs have considered a peaked power spectrum where Pζ
gets small again at late times. This avoids overproducing miniature PBHs which would evaporate and could violate BBN and CMB bounds. This paper examines the other way of avoiding these bounds, producing PBHs from perturbations formed closer to the end of inflation such that the PBHs are too small to violate these bounds. This has the advantage of allowing for simpler models in that no additional feature is needed to be added to evade constraints. Although these black holes would have evaporated, they can be close to without exceeding current BBN bounds, making it possible the signature will be revealed in the future. We calculate how the various model parameters affect the mass and number of PBHs produced. Any evidence for PBHs sourced from an inflationary power spectrum would provide evidence for inflation on a drastically different energy scale from the CMB, and thus would be highly valuable in answering what occurred during inflation.
Planar InAlAs/InGaAs avalanche photodiode with 360 GHz gain×bandwidth product
Authors: Wang 王 Shuai 帅 , Ye 叶 Han 焓 , Geng 耿 Li-Yan 立妍 , Xiao 肖 Fan 帆 , Chu 褚 Yi-Miao 艺渺 , Zheng 郑 Yu 煜 , Han 韩 Qin 勤
Published: July 2023

This paper describes a guardring-free planar InAlAs/InGaAs avalanche photodiode (APD) by computational simulations and experimental results. The APD adopts the structure of separate absorption, charge, and multiplication (SACM) with top-illuminated. Computational simulations demonstrate how edge breakdown effect is suppressed in the guardring-free structure. The fabricated APD experiment results show that it can obtain a very low dark current while achieving a high gain×bandwidth (GB) product. The dark current is 3 nA at 0.9V
br, and the unit responsivity is 0.4 A/W. The maximum 3 dB bandwidth of 24 GHz and a GB product of 360 GHz are achieved for the fabricated APD operating at 1.55 μm.
Influence of geometric nonlinearity on static and dynamic response of flexible beam
Authors: Peng Quancheng , Ji Yujie , Li Jinquan
Published: July 2023

The flexible beam theory is widely applied in engineering, due to that many engineering structures can be regarded as flexible beam. For the flexible beam under large rotation, researches have shown that consideration of geometric nonlinearity is necessary: beam deflection will be erroneously larger or diverge without consideration of geometric nonlinearity. The reason lies on the dynamic stiffening effect caused by geometric nonlinearity. The dynamic stiffening effect of flexible beam under large rotation is well studied already, however, most studies only focus on flexible beam with constant cross section and rarely considers flexible beam without rotation. In view of this, a flexible beam with variable and twisted cross section is adopted to analyze the influence of geometric nonlinearity, and the response of flexible beam without rotation or static response is also analyzed. The results of dynamic beam deflection with and without consideration of geometric nonlinearity is compared, the results of static beam deflection under different load is also compared. On the basis of result comparison, the influence of geometric nonlinearity on static and dynamic response of flexible beam is then explained.
The Research on Performance Characteristics of the Sliding Relief Valve
Authors: Wang Lipeng , Hou Dingqi , Li Guanghui , Ma Xiaochen , Wei Guanju , Han Xinmiao , Zhao Jun , Qiao Jing
Published: July 2023

Based on the software AMESim, this paper introduced the operating principle and established the system models of relief valves. The effects on dynamic characteristics under the different parameters, including the number of overflow orifices, overflow orifice diameter and spring stiffness, were analyzed by the AMESim batch processing method. This paper compared and analyzed the curves and summarized the parameters which affect the performance characteristics of the relief valves. The result helps optimize the structure parameters and improve the performance characteristics of the relief valves.
Research and Application of Support in Triangle Area of Underground Withdrawal Working Face in Coal Mine
Authors: Xie Xuebin
Published: July 2023

Aiming at the rapid withdrawal of temporary support technology at the fully mechanized mining face in the Shendong mining area, a temporary support bracket group in the triangle area is designed according to the current geological mining conditions, and the working principle of the temporary support bracket in the triangle area is explained and analyzed. The key technical parameters of the triangular support are analyzed, and the stress of its key structure is analyzed. Field practice shows that the developed triangular area temporary support bracket group has a reasonable structural design, improves the withdrawal efficiency based on effective roof support, and meets the requirements for the use of temporary support for rapid withdrawal of fully mechanized mining faces.
Effect of different roughness on oil film formation in a diesel engine
Authors: Wu Beibei , Xu Zengtian , Feng Shiquan , Li Changqing , Yao Jia
Published: July 2023

After diesel fuel injection, when the spray droplets in the air hit the wall, an oil film may be formed on the wall, and the surface roughness is the key parameter. To analyze the influence of roughness on the formation of oil film, a combustion model of the engine cylinder is built in this paper. The main part of the model is the simulation of diesel injection, and a related fuel injection model is built. The influence of cylinder wall roughness on the oil film formation in the diesel engine cylinder is analyzed through a wall-droplet interaction model.