bluuebunny/crossref_metadata_2025 huggingface dataset:
Correction: Wasted rose-derived porous carbons with unique hierarchical heteroatom-enriched structures as a high-performance supercapacitor electrode
Authors: Homayounfard Amir Mahdi , Maleki Mahdi , Motejadded Emrooz Hosein Banna , Ghanbari Hajar , Mohammadi Samira , Shokrieh Ahmad
Published: September 2024

Correction for ‘Wasted rose-derived porous carbons with unique hierarchical heteroatom-enriched structures as a high-performance supercapacitor electrode’ by Amir Mahdi Homayounfard et al., J. Mater. Chem. A, 2024, 12, 22045–22060.
Artificial light harvesting gel based on saponification-triggered gelation of aggregation-induced emissive BODIHYs
Authors: Yadav Durgendra , Singh Vishwa Deepak , Kushwaha Ashish Kumar , Kumar Anjani , Singh Roop Shikha
Published: September 2024

The present work provides a detailed study on saponification-triggered gelation of ester-based BODIHYs (B1 and B2) and explores their application in artificial light harvesting in solution and gel phase.
Overview of electrohydrodynamic deposition for fabricating organic thin film transistors
Authors: Zhu Gezhou , Zhao Yan , Liu Yunqi
Published: September 2024

This review explores recent advancements in Electrohydrodynamic (EHD) deposition techniques for the fabrication of organic thin-film transistors, highlighting their impact on device performance and potential applications.
Near stoichiometric lithium niobate crystal with dramatically enhanced piezoelectric performance for high-temperature acceleration sensing
Authors: Wang Guoliang , Wang Fulei , Gao Xi , Wang Dongzhou , Song Wei , Li Yanlu , Liu Xueliang , Sang Yuanhua , Yu Fapeng , Zhao Xian
Published: September 2024

The NSLN, characterized by a lower density of V−Li defects and greater distortion of the NbO6 octahedron compared to CLN, demonstrated superior piezoelectric performance and remarkable sensing capabilities.
Structure, spectroscopic properties and optical temperature-sensing behavior of glass-ceramics containing polymorphic CaTa2O6:Er3+/Yb3+ nanocrystals
Authors: Tian Chen , Ruan Jian , Zhao Xiujian , Han Jianjun , Liu Chao
Published: September 2024

We report a novel glass-ceramic containing polymorphic CaTa2O6:Er3+/Yb3+ nanocrystals with enhanced upconversion emission for three-mode optical thermometry.
Improving the photovoltaic performance of perovskite solar cells through the molecular design of donor–acceptor polymeric hole-transport materials
Authors: Zamoretskov D. S. , Zhivchikova A. N. , Kuznetsov I. E. , Tepliakova M. M. , Nikitenko N. G. , Konushkin I. A. , Gapanovich M. V. , Chernyayev D. A. , Perepelitsina E. O. , Sagdullina D. K. , Akkuratov A. V.
Published: September 2024

The control of backbone geometry is found to be important for reaching enhanced charge-transport characteristics of newly designed polymeric HTMs. Encouraging efficiency of 19.1% with good stability for p–i–n PSCs is achieved.
The intrinsic quantum anomalous Hall effect in TaPdXTe (X = S, Se) monolayers
Authors: Wei Haofeng , Wu Yanzhao , Tong Junwei , Deng Li , Yin Xiang , Zhang Zhijun , Zhang Xianmin
Published: September 2024

The search for high-performance intrinsic quantum anomalous Hall (QAH) insulators is crucial for the development of topological electronics.
Hybrid self-powered UV photodetector with a sandwich structure of asymmetric interdigitated electrodes
Authors: Chen Zhengbang , Lin Shuixiu , Zhang Longfei , Wan Lingyu
Published: September 2024

A hybrid self-powered ZnO/Au/Ti/p-GaN UV photodetector with asymmetric interdigitated electrodes was fabricated. The design integrates ZnO/Au and p-GaN/Ti Schottky junctions with the ZnO/p-GaN heterojunction, boosting performance.
Novel carbon-free innovation in centralised ammonia cracking for a sustainable hydrogen economy: the hybrid air-volt ammonia cracker (HAVAC) process
Authors: Eluwah Chidozie , Fennell Paul S.
Published: September 2024

The hybrid air-volt ammonia cracker (HAVAC) represents a novel approach to centralised ammonia cracking for hydrogen production, enhancing both efficiency and scalability.
Unintended Upper Uterine Wall Extensions at the Time of Cesarean Delivery: Risk Factors and Associated Adverse Maternal and Neonatal Outcomes
Authors: Peled Tzuria , Saar Noa , Muraca Giulia M. , Sela Hen Y. , Grisaru-Granovsky Sorina , Rottenstreich Misgav
Published: September 2024

Objective This study aims to estimate the frequency of unintended upper uterine wall extensions during cesarean delivery (CD) and identify associated risk factors and adverse outcomes.

Study Design A multicenter retrospective cohort study was conducted, including patients who underwent CD between 2005 and 2021. Demographic factors, obstetric history, CD indications, delivery and surgical characteristics, adverse maternal and neonatal outcomes were compared between those with unintended upper uterine wall extensions during CD and those without extensions. Crude and adjusted estimates (odds ratios [ORs] and 95% confidence intervals [CIs]) were used.

Results Among 30,517 patients meeting inclusion criteria, 117 (0.4%) had an unintended upper uterine wall extension. In univariate analysis, upper uterine wall extensions were associated with higher rates of intrapartum CD, second-stage CD, unplanned or emergency CD, CD following failed vacuum delivery or trial of labor after CD, chorioamnionitis, prolonged labor, increased vaginal exams, lower fetal head station, and higher birth weight. During surgery, higher rates of general anesthesia, significant intraperitoneal adhesion, fetal malpresentation, and fetal extraction by the leg were observed. Multivariable analysis identified fetal extraction not by head (adjusted OR [aOR]: 9.17, 95% CI: 5.35–15.73), vertex fetal presentation (aOR: 3.65, 95% CI: 1.81–7.35), second-stage CD (aOR: 3.07, 95% CI: 1.24–7.59), and trial of labor after cesarean (aOR: 2.04, 95% CI: 1.08–3.84) as significant risk factors for unintended upper uterine wall extensions. Additionally, upper uterine wall extensions were associated with higher rates of maternal and neonatal complications, including longer operating times, excessive bleeding, postpartum hemorrhage, intraperitoneal drainage, blood product transfusion, puerperal fever, paralytic ileus, Apgar score < 7 at 1 and 5 minutes, and fetal intracranial hemorrhage.

Conclusion Our study identifies risk factors for unintended upper uterine wall extensions during CD. While these extensions are infrequent, their occurrence is associated with increased maternal and neonatal morbidity.

Key Points
Building a Stronger Backbone: 3D Printing's Role in Treating Spinal Cord Conditions
Authors: Jader Arwa , Buccilli Barbara , Kumar Danisha , Atallah Oday , Munir Luqman , Almealawy Yasser F. , Ennabe Michelle , Joshi Neil , Imdad Urooj , Alan Albert , Weinand Martin
Published: September 2024

Spinal cord injuries (SCIs) pose significant challenges as complete nerve regeneration remains limited. The demand for improved technologies in SCI treatment is evident. One such emerging technology is three-dimensional printing (3DP), which, coupled with advancements in medical imaging and bioengineering, has significantly enhanced precision in surgical procedures. This systematic review aims to explore 3DP as a treatment option for SCIs, examining its cost, efficacy, safety, and the associated technological constraints. A systematic search of Medline was conducted through PubMed for literature published since 2019. The search results were exported to Rayyan for abstract and full-text screening following predefined criteria. The risk of bias in the selected studies was assessed using the RoB2 tool and the Newcastle-Ottawa Scale. From a total of 89 articles screened, 11 studies met the eligibility criteria, collectively assessing 237 individuals with various types of SCIs, including lumbar degeneration, en bloc resection of thoracolumbar metastasis, adult spinal deformity, and cervical degeneration. These studies examined the utilization of 3DP devices such as hand orthosis, interbody fusion cages, lamellar titanium cages, artificial vertebral bodies, and others. Most of the reviewed studies reported positive treatment outcomes, with the actual procedure costs varying from $65 to $5,000. Recent literature shows positive outcomes in the use of 3DP technologies for SCIs, highlighting its potential for enhancing both surgical and nonsurgical interventions. These advancements usher in a new era in SCI treatment, providing enhanced precision and a wider range of treatment options, ultimately leading to more comprehensive and effective patient care.
The dimensions of ‘forensic biosecurity’ in genetic and facial contexts
Authors: Kruger Erin , Porter Glenn , Birch Philip , Bizo Lewis , Kennedy Michael
Published: September 2024

This article seeks to examine the co-productions of security and emerging technologies in the two contexts of forensic genetics and forensic facial identification. These surfacing co-productions, deemed here as ‘forensic biosecurity’, are evolving rapidly in both theoretical and practical terms. Definitions and conceptualisations of security are contingent and multiple, impacting forensic biological techniques and innovations in both predictable and unpredictable ways. The military, counter-terrorism, law enforcement, immigration, customs, border patrol, mass disasters, cold case reviews, health, defence, private security, and biometric applications are just a few of the many security environments where forensic biological techniques are applied. The continual development of variations in forensic genetics and facial identification renders a futher blurring of traditional evidence with that of intelligence. Drawing in particular from Joly’s (in: S. Hilgartner, C. Miller, and R. Hagendijk (eds) Science and democracy: Making knowledge and making power in the biosciences and beyond, Taylor and Francis, London, 2015) work on emerging technologies, forensic biosecurity is analysed from a science and technology studies (STS) perspective. An emerging technology in the initial stages is thought to be highly flexible with the potential impacts on society and criminal justice being possibly difficult to predict. Once the science and/or technology has become entrenched and mainstream, it may be difficult to change. The enthusiasm portrayed by law enforcement and security agencies regarding emerging technologies, shows that it is important to remain somewhat cautious about the proliferation of these techniques. While such science and technologies appear to be effective and innovative in the present, it is difficult to accurately forecast or predict the future consequences of such innovations.
The E × B magnetized plasma device (EMPD)
Authors: Hooper Charles T. , Smith Jenny R. , Brewer Trenton R. , Heinrich Jonathon R. , Reid Remington , Cooke David L.
Published: September 2024

A plasma device has been created to study dynamic plasma coupling in an E × B-drifting magnetized plasma. The E × B magnetized plasma device is a 1.2 m diameter by 2 m long cylindrical chamber with two sets of Helmholtz coils in a mirror configuration. A steady-state axial hollow cathode source injects a plasma discharge in electrical contact with a floating conductor at a range that forms a unique axisymmetric equipotential surface or Virtual Cathode Lightsaber (VCL). The VCL generates two plasma populations streaming relative to one another providing a suitable environment for the investigation of dynamic plasma coupling. The plasma density, radial electric field, and plasma rotational velocity outside the VCL are shown to be influenced by the current–voltage relationship of the cathode and applied magnetic field strength. A basic characterization of the device and plasma environment is presented with an emphasis on diagnostics systems and the analytical techniques utilized.
High-power diode laser spectrally narrowed with prism–etalon feedback
Authors: Muller A.
Published: September 2024

A simple method for reducing the linewidth of a diode laser while maintaining high output power is described. It is based on a dispersive prism and a thin etalon for retroreflective feedback. The etalon creates two weak external cavities that provide spectral selectivity that is periodic with a period equal to the etalon’s free spectral range. The method was applied to a multimode blue laser diode, which in the absence of feedback features a linewidth of several nanometers. The spectral properties of the laser were investigated for different etalon thicknesses and operating currents and tested in the presence of temperature fluctuations. With a SF11 equilateral uncoated prism near Brewster’s angle and a 0.3 mm-thick uncoated fused silica etalon, the linewidth was reduced 20-fold to 70 pm (3.6 cm−1) with an output power of 3 W at a current of 2.15 A. The largest diode current probed was 2.75 A, which resulted in a linewidth of 100 pm (5.1 cm−1) and an output power of 4 W. In contrast to the use of, for example, a volume Bragg grating, a high degree of flexibility is afforded as the same prism–etalon pair can be used across the visible and near infrared.
Comparative bioengineering and optoelectronic properties of metoprolol by DFT, molecular docking, and molecular dynamic approaches
Authors: Birjand S. R. Seyyedi , Sabbaghzadeh R. , Azadparvar Maliheh , Aliabad H. A. Rahnamaye
Published: September 2024

The biophysical properties of metoprolol are investigated by the full potential-linearized augmented plane wave method and molecular docking and molecular dynamic approaches. The exchange–correlation potentials are calculated by the Perdew–Burke–Ernzerhof generalized gradient approximation as implemented in the WIEN2k package. The electronic results show the insulator nature of metoprolol with the indirect bandgap of 3.74 eV between HOMO and LUMO states. In the density of state spectra, the p state of O, C, and N elements confirm the stability of metoprolol. Metoprolol exhibits a metallic behavior in the z direction, while it has a dielectric behavior in the x and y directions. The static refractive indices are obtained 1.49, 1.53, and 1.63 in the x, y, and z directions, respectively. It was found that the maximum reflectivity occurs at the ultraviolet region in the z-direction. The calculated absorption spectra also confirm the other’s experimental results. The obtained results of molecular docking indicate the formation of hydrogen bonds between metoprolol and the beta-2 adrenergic receptors, and molecular dynamics showed a human beta-2 adrenoceptor either in its free state or in complex with a metoprolol molecule. The calculated binding energies of elements by molecular docking and the other biological properties of metoprolol by molecular dynamic are in close agreement with obtained Density Functional Theory (DFT) results for Pharmacia applications.
Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation
Authors: Rani Vadala Jhansi , Kanakati Arun Kumar , Mahapatra S.
Published: September 2024

In this article, the theoretical photoionization spectroscopy of the aziridine (C2H5N) molecule is investigated. To start with, we have optimized the geometry of this molecule at the neutral electronic ground state at the density functional theory/augmented correlation-consistent polarized valence triple zeta level of theory using the G09 program. The electronic structure calculations were restricted to the first six low-lying electronic states in order to account for the experimental photoelectron spectrum of the C2H5N molecule. The first six low-lying electronic states (X̃2A′, Ã2A′, B̃2A″, C̃2A″, D̃2A′, and Ẽ2A′) of the potential energy surfaces (PESs) are calculated by both equation of motion-ionization potential-coupled cluster singles and doubles and multi-configuration quasi-degenerate perturbation theory ab initio quantum chemistry methods along the dimensionless normal displacement coordinates in which multiple conical intersections were established among the considered electronic states. A (6 × 6) model vibronic Hamiltonian is constructed on a diabatic electronic basis, using the symmetry selection rules and Taylor series expansion. The Cs symmetry point group of the aziridine molecule leads to electronic states symmetry of either A′ or A″, and these states are close in energy, due to which the same symmetry electronic states avoid each other. To get a smooth diabatic PES, a fourfold diabatization scheme is used, which is implemented in the General Atomic and Molecular Electronic Structure Systems suite of programs. All the parameters used in the diabatic vibronic coupling model Hamiltonian are calculated in terms of the normal modes of vibrational coordinates. Finally, the vibronic model Hamiltonian constructed for the coupled six electronic states is used to solve both time-independent and time-dependent Schrödinger equations using the multi-configuration time-dependent Hartree program module to obtain the dynamical observables. The theoretical vibronic band structure is found to be in good accord with the available experimental results.
Long-wavelength, high-resolution microscopy using upconversion in ultra-thin crystals
Authors: Tidemand-Lichtenberg P. , Pedersen C.
Published: September 2024

In this paper, a novel approach based on frequency upconversion in ultra-thin nonlinear crystals is investigated for use in high-resolution infrared (IR) microscopy in the 5–12 µm range, an important domain for biomedical research. Traditional IR imaging encounters spatial resolution constraints due to diffraction, which are addressed via upconversion imaging using ultra-thin crystals. The present work combines a tunable IR quantum cascade laser and a short wavelength mixing laser to circumvent the classical resolution limit dictated by the Rayleigh criterion. A detailed numerical model for small signal upconversion imaging at μm-scale resolution shows good agreement with experimental data. The presented approach opens new avenues for IR applications for label-free biomedical diagnostics and spectral imaging.
Microscopic derivation of the thin film equation using the Mori–Zwanzig formalism
Authors: te Vrugt Michael , Topp Leon , Wittkowski Raphael , Heuer Andreas
Published: September 2024

The hydrodynamics of thin films is typically described using macroscopic models whose connection to the microscopic particle dynamics is a subject of ongoing research. Existing methods based on density functional theory provide a good description of static thin films but are not sufficient for understanding nonequilibrium dynamics. In this work, we present a microscopic derivation of the thin film equation using the Mori–Zwanzig projection operator formalism. This method allows to directly obtain the correct gradient dynamics structure along with microscopic expressions for mobility and free energy. Our results are verified against molecular dynamics simulations for both simple fluids and polymers.
Transparent antenna with RCS tunability based on graphene and metasurface in S band
Authors: Zhang Heng , Zhang Yongna , Shao Li , Liu Guanxu , Zhou Zhihao , Shi Haofei , Piao Mingxing
Published: September 2024

In this paper, we propose a graphene-based radar cross section (RCS) tunable antenna that utilizes metal mesh and graphene, both of which are optically transparent. The graphene sandwich structure is introduced to replace traditional components like diodes, micro-electro-mechanical systems (MEMS), and varactors, acting as an electromagnetic wave controller and significantly simplifying the device's complexity. By applying different voltages, the electrical properties of graphene are altered, enabling the regulation of reflection, transmission, and absorption of electromagnetic waves. This not only modifies the antenna's pattern but also achieves a substantial reduction in out-of-band RCS. The radiation and scattering mechanism of the antenna is carefully elaborated. The numerical and experimental results match well, which validates the effectiveness of the proposed method. The optical transmittance of the device is 27.9% at 550 nm, and the out-of-band RCS reduction is 10.01 dB at 3.83 GHz. The transparent, RCS tunable antenna proposed has significant potential applications in optical and microwave stealth technology.
Balancing thermodynamic stability, dynamics, and kinetics in phase separation of intrinsically disordered proteins
Authors: Zhang Guoqing , Chu Xiakun
Published: September 2024

Intrinsically disordered proteins (IDPs) are prevalent participants in liquid–liquid phase separation due to their inherent potential for promoting multivalent binding. Understanding the underlying mechanisms of phase separation is challenging, as phase separation is a complex process, involving numerous molecules and various types of interactions. Here, we used a simplified coarse-grained model of IDPs to investigate the thermodynamic stability of the dense phase, conformational properties of IDPs, chain dynamics, and kinetic rates of forming condensates. We focused on the IDP system, in which the oppositely charged IDPs are maximally segregated, inherently possessing a high propensity for phase separation. By varying interaction strengths, salt concentrations, and temperatures, we observed that IDPs in the dense phase exhibited highly conserved conformational characteristics, which are more extended than those in the dilute phase. Although the chain motions and global conformational dynamics of IDPs in the condensates are slow due to the high viscosity, local chain flexibility at the short timescales is largely preserved with respect to that at the free state. Strikingly, we observed a non-monotonic relationship between interaction strengths and kinetic rates for forming condensates. As strong interactions of IDPs result in high stable condensates, our results suggest that the thermodynamics and kinetics of phase separation are decoupled and optimized by the speed-stability balance through underlying molecular interactions. Our findings contribute to the molecular-level understanding of phase separation and offer valuable insights into the developments of engineering strategies for precise regulation of biomolecular condensates.
Water orientation on platinum surfaces controlled by step sites
Authors: Nagatsuka Naoki , Otsuki Takumi , Kamibashira Shota , Koitaya Takanori , Watanabe Kazuya
Published: September 2024

In this work, the adsorption structure of deuterated water on the stepped platinum surface is studied under an ultra-high vacuum by using heterodyne-detected sum-frequency generation spectroscopy. On a pristine Pt(553), D2O molecules adsorbed at the step sites act as hydrogen bond (H-bond) donors to the adjacent terrace sites. This ensures the net D-down orientation at the terrace sites away from the steps. In particular, the pre-adsorption of oxygen atoms at the step sites significantly alters the D-down configuration. The oxygen pre-adsorption leads to a spontaneous dissociation of the post-adsorbed water molecules at the step to form hydroxyl (OD) species. Since the hydroxyl at the step acts as a strong H-bond acceptor, D2O at the terrace no longer maintains the D-down configuration and adopts flat-lying configurations, significantly reducing the number of D-down molecules at the terrace. Density-functional theoretical calculations support these pictures. This work demonstrates the critical role of steps in controlling the net orientation of the interfacial water and provides an important reference for future considerations of the reactions at electrochemical interfaces.
Femtosecond laser writing of durable open microfluidic channels via a mode-switchable strategy
Authors: Su Yahui , Zheng Linfeng , Lao Zhaoxin , Cui Zehang , Chen Chao , Zhang Chenchu , Pan Deng , Hu Yanlei , Wu Sizhu , Zhang Yachao , Wu Dong
Published: September 2024

Open microfluidic systems offer significant advantages, including the elimination of external pumps and facilitating fluid access at any point along the channel. However, their deployment in harsh environments is commonly compromised due to the delicate nature of hydrophilic chemical coatings and the vulnerability of open microchannels to clogging and contamination. Here, a bioinspired, demand-responsive mode-switchable strategy is proposed to enhance the mechanical durability of open microfluidic systems. Specifically, under harsh conditions or when long-term storage is necessary, this strategy allows the open microfluidic device to transition to a protective mode simply through releasing the strain, thereby preserving the integrity of the structure and hydrophilic coatings. The stretched open microfluidic mode enables spontaneous liquid spreading along a hydrophilic microchannel scribed by femtosecond laser. This mode-switchable strategy provides the open microfluidic device with robustness to maintain spontaneous liquid flow, even under severe testing conditions such as 2000 cycles of cotton swab rubbing, sand impact, sandpaper abrasion, tape peeling, twisting, and finger rubbing. A proof-of-concept application involving blood type analysis on this mode-switchable open microfluidic device showcases its superior mechanical durability under severe environmental conditions. The proposed strategy paves the way for the broader use of open microfluidic devices in various practical applications.
Structural transition in the single layer growth of diindenoperylene on silica
Authors: Elsässer Philipp , Schilling Tanja
Published: September 2024

When forming a film on a substrate, rod shaped organic molecules can order in lying-down or standing-up phases. We have studied the growth of diindenoperylene films on amorphous silicon dioxide by means of molecular dynamics simulations and analyzed the film structure. The vapor deposition process was emulated by depositing single molecules at a fixed rate on the substrate. At 400 K, we observed a transition from disordered lying-down to standing-up molecules, which agrees well with experimental observations. This transition, which depends sensitively on the kinetic parameters, requires both a sufficiently high thermal energy to overcome the energy barrier and a sufficiently large cluster size. Our results indicate that a higher degree of initial disorder in the lying-down phase results in a larger probability for the system to undergo the transition to the standing-up phase.
Dynamic and quasi-static strength of additively repaired aluminum
Authors: Callanan Jesse G. , Martinez Daniel T. , Ricci Sara , Brewer Nicholas K. , Derby Benjamin K. , Lovato Brandon J. , Hollis Kendall J. , Fensin Saryu J. , Jones David R.
Published: September 2024

Additive manufacturing has the potential to repair high value components, saving significant time and resources; however, the level of reliability and performance of additive repairs is still relatively unknown. In this work, the structure–property and performance of laser wire additive manufacturing repairs in 1100 aluminum are investigated. Two types of intentional damage are inflicted on the samples and subsequently repaired with pulsed laser deposition additive manufacturing. Quasi-static (10−3s−1) and high strain-rate (10−3s−1) mechanical testing is carried out with in situ diagnostics and post-mortem imaging. The results show that while the quasi-static strength and ductility of samples with a repaired region are lower than a pristine sample, the dynamic strength under shock loading is comparable. This work highlights both the potential utility of additive manufacturing for repair purposes, the significant risk of compromised performance of additive parts under specific conditions, and the need to test at varying strain rates to fully characterize material performance.
Structural distortion-induced low-temperature dielectric dispersion in lanthanide titanate pyrochlores
Authors: Yan Ming-Yuan , Xing Yu , Zhang Xiao-Yu , Li Xing , Shen Ao-Li , Zhou Xin-Di , Xu Meng , Zhao Weiyao , Wang Fei-Fei , Zhang Shan-Tao
Published: September 2024

Rare-earth titanate pyrochlores have attracted significant attention for their unique magnetic frustration; however, research on the origin of low-temperature dielectric dispersion and the relationship between dielectric properties and structure lags far behind. Here, by systematically investigating the dielectric properties of representative rare-earth titanates R2Ti2O7 (R = La, Nd, Sm, Er, Yb, and Lu), we demonstrate that R2Ti2O7 with a cubic pyrochlore structure exhibits low-temperature dielectric dispersion behavior, while the other compounds with a monoclinic perovskite-like layered structure possess no dispersion behavior but excellent temperature-stable dielectric property. The dielectric dispersion in cubic pyrochlores arises from the structural distortion. Furthermore, the existence of structural distortion is affirmed by the anomalous phonon softening of A1g Raman mode around the dielectric dispersion temperature, and the origin of the structural distortion is attributed to anharmonic phonon–phonon interactions induced by intrinsic vacant oxygen at Wyckoff 8a sites. In addition, with increasing ionic radius from R = Lu to Sm, the increased lattice parameter leads to varied bond length and bond angle of Ti-O(1)-Ti, which strengthens the local lattice distortion of TiO(1)6 octahedra and thus enhances diffusion degree of dielectric dispersion. On the other hand, the absence of intrinsic vacant oxygen site hardly gives rise to the local structural distortion and thus no dielectric dispersion in monoclinic R2Ti2O7. Our work not only clarifies the mechanism of dielectric dispersion but also gives a comprehensive perspective on the structure–property relationship of rare-earth titanates R2Ti2O7, and thus lays a solid foundation for further work on related materials.
High electroresistance in all-oxide ferroelectric tunnel junctions enabled by a narrow bandgap Mott insulator electrode
Authors: Zhang Yuanyuan , Hao Yifei , Zhang Le , Wang Kun , Hong Xia
Published: September 2024

Ferroelectric tunnel junctions (FTJs) based on epitaxial complex oxide heterostructures are promising building blocks for developing low power nanoelectronics and neuromorphic computing. FTJs consisting of correlated oxide electrodes have distinct advantages in size scaling but only yield moderate electroresistance (ER) at room temperature due to the challenge in imposing asymmetric interfacial screening and large modulation of the tunneling potential profile. Here, we achieve large ER in all-oxide FTJs by paring a correlated metal with a narrow bandgap Mott insulator as electrodes. We fabricate epitaxial FTJs composed of 2.8 and 4 nm PbZr0.2Ti0.8O3 tunnel barriers sandwiched between correlated oxides LaNiO3 and Sr3Ir2O7 electrodes. An ER of 6500% has been observed at room temperature, which increases to over 105% at 100 K. The high ER can be attributed to ferroelectric polarization induced metal–insulator transition in interfacial Sr3Ir2O7, which enhances the potential asymmetry for the tunnel barrier. The temperature dependence of tunneling current shows that direct tunneling dominates in the on state, while the off-state conduction transitions from thermally activated behavior at high temperatures to Glazman–Matveev defect-mediated inelastic tunneling at low temperatures. Our study provides a viable material strategy for designing all-oxide FTJs with high ER, facilitating their implementation in nonvolatile memories and energy-efficient computing devices.
Polarity of homoepitaxial ZnO films grown by Nd:YAG pulsed laser deposition
Authors: Masuda Tatsuya , Sato Toshihiro , Lippmaa Mikk , Dazai Takuro , Sekine Norihiko , Hosako Iwao , Koinuma Hideomi , Takahashi Ryota
Published: September 2024

We investigate the stability of the polar surface of ZnO films grown homoepitaxially on atomically flat ZnO (0001¯) O-face substrates by neodymium yttrium aluminum garnet (Nd:YAG) pulsed laser deposition (PLD). For films grown in the temperature range from 500 to 700 °C, ion scattering spectroscopy showed that the film surface termination was the same as the ZnO substrate. Even for a Mg0.2Zn0.8O/ZnO superlattice, no polarity reversal occurred, indicating that the ZnO (0001¯) O-face is highly stable, despite the film surface sputtering caused by the high kinetic energy of the PLD plume generated by the Nd:YAG laser.
Stress field measurements using quantitative schlieren
Authors: Torres S. M. , Kimberley J. , Hargather M. J.
Published: September 2024

Quantitative schlieren analysis is extended here to optically transparent solids in quasi-static and dynamic experiments to measure stress distributions. The quasi-static experiments in polymethyl methacrylate (PMMA) compared refraction angles and stress gradients calculated from schlieren images to the analytical Flamant solution of a line load on a half-space. The quantitative schlieren measurements of the stress field in the thin sample with a load compared well to the analytical solution. The analysis method was then extended to explosive induced shock waves in PMMA. The explosive induced response of PMMA was experimentally studied using high-speed schlieren to visualize the shock propagation in conjunction with Photon Doppler Velocimetry (PDV) to record surface velocity histories. The stress state estimated from the schlieren images was compared to the stress calculated from the PDV measurements. High-speed imaging limitations caused the shock wave to not be fully resolved in the images, but was resolved in the PDV measurement. The stress state behind the shock calculated from the high-speed images followed a similar trend to the stress calculated from the PDV measurements.
Nanozyme microspheres with structural color-coding labels for synergistic therapy of psoriasis
Authors: Yang Nengjie , Huang Yuting , Dong Chen , Sun Chi , Xi Peipei , Dai Yuexiao , Zhao Rui , Wang Yunan , Zhu Yujuan , Gu Zhifeng
Published: September 2024

Psoriasis is an immune system-mediated skin disease identified by the appearance of erythematous as a central symptom. As a recurrent and chronic inflammatory disease, psoriasis is influenced by both genetic and environmental factors and is known to be with no effective cure. Considering a multifaceted etiology of psoriasis, synergistic therapy exhibits great benefits over monotherapy, which becomes common for the treatment of various diseases. Herein, we present the nanozyme microspheres with structural color-coding labels for synergistic therapy of psoriasis. In particular, microsphere hydrogel is fabricated by the edible hydroxypropyl cellulose (HPC), which can generate a photonic liquid crystalline mesophase under lyotropic conditions in solution. Through adjustment of hydrogel components, microspheres endow with different functions, including moisturizing (paraffin), cfDNA scavenging (chitosan), and anti-inflammation (cerium oxide nanozyme). To improve patient convenience, hydrogel drops with different properties are tailored with different vivid structural colors by exploiting the lyotropic behavior of HPC. Of particular note, both in vitro and in vivo experiments have demonstrated the significant therapeutic effects of the encoded structural color microspheres. Green moisturizing microspheres facilitate to relieve dry, flaky skin patches; blue cfDNA scavenging and red anti-inflammatory microspheres significantly reduce skin inflammation. More importantly, combination therapy with encoded microspheres exerted the synergistic effects, including the increased body weight, thicker epidermal layer, and reduced immune activation. Overall, this synergistic treatment offers a promising platform for personalized management of psoriasis and various inflammatory skin diseases.
Entropy-favorable adsorption of polymer-grafted nanoparticles at fluid–fluid interfaces
Authors: Li Bing , Zhang Pei-Lei , Sun Zhao-Yan
Published: September 2024

The adsorption of polymer-grafted nanoparticles at interfaces is a problem of fundamental interest in physics and soft materials. This adsorption behavior is governed by the interplay between interaction potentials and entropic effects. Here, we use molecular dynamics simulations and umbrella sampling methods to study the adsorption behavior of a Janus-like homopolymer-grafted nanoparticle at fluid–fluid interfaces. By calculating the potential of the mean force as the particle moves from fluid A to the interface, the adsorption energy Ea can be obtained. When two homopolymer chains with types A and B are grafted to the opposite poles of the particle, Ea shows a scaling behavior with respect to chain length N: Ea ∝ N0.598. This is determined by the interactions between polymers and fluids. The enthalpy dominates, and the entropy effects mainly come from the rotational entropy loss of the polymer-grafted nanoparticle at interfaces, which disfavors the stabilization of particles at interfaces. When the grafted polymer number m is large, the adsorption energy exhibits a linear dependence on m. While the enthalpy dominates the behavior, the entropy becomes significant at a larger chain length of N = 15, where the configurational entropy of the polymer chains dominates the entropy of the system. The globule–coil transition occurs when polymers move from poor solvents to good solvents, increasing the configurational entropy and favoring the stabilization of particles at interfaces. Our study provides novel insights into the stabilization mechanism of polymer-grafted nanoparticles at interfaces and reveals the stabilization mechanism favored by the configurational entropy of grafted polymer chains.
TRPV1 corneal neuralgia mutation: Enhanced pH response, bradykinin sensitization, and capsaicin desensitization
Authors: Gualdani Roberta , Barbeau Solène , Yuan Jun-Hui , Jacobs Deborah S. , Gailly Philippe , Dib-Hajj Sulayman D. , Waxman Stephen G.
Published: September 2024

The factors that contribute to pain after nerve injury remain incompletely understood. Laser-assisted in situ keratomileusis (LASIK) and photorefractive keratectomy (PRK) are common surgical techniques to correct refractive errors. After LASIK or PRK, a subset of patients suffers intense and persistent pain, of unknown origin, described by patients as feeling like shards of glass in their eye. Here, we evaluated a TRPV1 variant, p.V527M, found in a 49-y-old woman who developed corneal pain after LASIK and subsequent PRK enhancement, reporting an Ocular Surface Disease Index score of 100. Using patch-clamp and Ca
2+
imaging, we found that the V527M mutation enhances the response to acidic pH. Increasing proton concentration induced a stronger leftward shift in the activation curve of V527M compared to WT, resulting in channel activity of the mutant in acidic pH at more physiological membrane potentials. Finally, comparing the responses to consecutive applications of different agonists, we found in V527M channels a reduced capsaicin-induced desensitization and increased sensitization by the arachidonic acid metabolite 12-hydroxyeicosatetraenoic acid (12-HETE). We hypothesize that the increased response in V527M channels to protons and enhanced sensitization by 12-HETE, two inflammatory mediators released in the cornea after tissue damage, may contribute to the pathogenesis of corneal neuralgia after refractive surgery.
Nonlinear Coupling of Kinetic Alfvén Waves and Ion Acoustic Waves in the Inner Heliosphere
Authors: Chettri Mani K , Shrivastav Vivek , Mukherjee Rupak , Gaur Nidhi , Sharma R. P. , Singh Hemam D.
Published: September 2024

We study the nonlinear coupling of kinetic Alfvén waves with ion acoustic waves applicable to the Earth’s radiation belt and near-Sun streamer belt solar wind using dynamical equations in the form of modified Zakharov systems. Numerical simulations show the formation of magnetic field filamentary structures associated with density humps and dips which become turbulent at later times, redistributing the energy to higher wavenumbers. The magnetic power spectra exhibit an inertial range Kolmogorov-like spectral index value of −5/3 for k
⊥
ρ

i
< 1, followed by a steeper dissipation range spectra with indices ∼ −3 for the radiation belt case and ∼ −4 for the near-Sun streamer belt solar wind case, here k
⊥ and ρ

i
represent the wavevector component perpendicular to the background magnetic field and the ion thermal gyroradius, respectively. Applying quasilinear theory in terms of the Fokker–Planck equation in the region of wavenumber turbulent spectra, we find the particle distribution function flattening in the superthermal tail population which is the signature of particle energization and plasma heating.
Effects of turbulence on the blade root load of the tandem wind turbine in neutral atmospheric boundary layer
Authors: Li Qian , Li Wei , Lin HangBing , Gao LianDa , Liu Yong , Li DeShun
Published: September 2024

A model characterizing a turbulent wind field, consistent with neutral atmospheric boundary layer attributes, was developed for a field-based experimental wind turbine using stochastic processes combined with shear flow profiles. By incorporating interactions of vertical thermal exchange, terrain-induced surface roughness, and Coriolis forces, the model simulates environmental impacts. A sequence of wind turbines situated within the atmospheric wind field underwent computational analysis leveraging Large Eddy Simulation (LES) alongside an Actuator Line Model (ALM) to examine atmospheric turbulence alterations both preceding and following the turbines. Analysis of the power spectra concerning wind velocity, turbulence intensity, and components of Reynolds stress upwind and downwind demonstrated the turbines’ blade effects on surrounding turbulence patterns. The research demonstrated that turbulence kinetic energy experienced enhancement in downwind turbines as a result of the upwind turbine’s impact, particularly evident in the lower-frequency spectrum. Augmenting the distance between turbines initially aids in the wake’s turbulent structure restoration, with a marked effect on tip vortices that hold greater amounts of high-frequency energy.
Evaluation of sedimentation processes in riverbank water reservoir
Authors: Xoshimov S N , Apakhodjaeva T U , Matkaziyev D , Kurbanov K M , Jetpisbayeva Sh
Published: September 2024

Reservoirs are vital for human development, aiding agriculture, energy, industry, and the economy. This study delves into the pressing issue of muddy flooding in reservoirs. Field experiments aimed to identify sedimentation causes in the Chartak reservoir and assess its volume efficiency. Utilizing mathematical and statistical methods alongside river surveyor tools, sediment processes were analyzed. Findings reveal a loss of 9.08 million.m3 in Chartak Reservoir due to sedimentation, impacting efficiency and water balance. Maximum sedimentation influx from natural flow was 0.6 kg/m3, attributed to leaching. Mathematical analysis indicates one third of the reservoir’s useful volume filled with mud over half a century. These insights shed light on the challenges posed by sedimentation, emphasizing the need for proactive measures to mitigate its adverse effects on reservoir functionality and environmental balance.
Ultrasonic assisted removal of methyl orange and bovine serum albumin from wastewater using modified activated carbons: RSM optimization and reusability
Authors: Khan Imran Ahmad , Khan Asad Ullah , Deen Kashif Mairaj , Asselin Edouard , Sadiq Rehan , Yasir Muhammad , Ahmad Nasir M
Published: September 2024

The removal of industrial pollutants from water remains a significant challenge in water treatment processes. This study investigated the efficacy of powder-activated carbon (PAC), thermally modified PAC (TPAC), and chemically modified PAC (CPAC) for removing bovine serum albumin (BSA) and methyl orange (MO) from simulated wastewater. After undergoing treatment, the BET surface area of TPAC increased to 823 m2 g−1, while that of CPAC increased to 657 m2 g−1 compared to the initial surface area of pristine PAC, which was 619 m2 g−1. Batch adsorption experiments assisted by ultrasonication were conducted to evaluate the impact of solution pH, initial concentration, and contact time on the adsorption capacities (q
max) of BSA and MO. TPAC demonstrated superior performance, achieving q
max values of 152 mg g−1 for MO and 133 mg g−1 for BSA, compared to PAC, which provided q
max values of 124 mg g−1 and 112 mg g−1, respectively. Furthermore, pH levels of 3 and 5 were identified as highly effective for the removal of MO and BSA from water, respectively. The adsorption kinetics of both MO and BSA followed pseudo2nd-order (R

2
> 0.99) reaction kinetics under both batch and ultrasonic conditions, confirming the removal of contaminants through chemisorption. The adsorption trends also satisfied the Langmuir isothermal model, indicating the formation of a uniform monolayer during the adsorption process of these contaminants. To understand the simultaneous effect of all the variables, response surface methodology (RSM) using central composite design (CCD) was used to predict the adsorption capacities of CPAC. After five adsorption cycles, the removal efficiencies of MO (from 98% to 80%) and BSA (from 55% to 40%) decreased in the CPAC system. The results suggested that CPAC can be effectively utilized to remove MO from wastewater.
Research on the coupling coordination of digital economy and urban green development in the Yangtze River Delta of China
Authors: Liu Yunqin , Jiang Tingyao
Published: September 2024

Digital economy has become an important engine for promoting green development.The existing literature mainly analyzed the impact of digital economy on green development, but rarely examines the coordinated development relationship between the two. This study contributes to the literature by constructing a research framework for the coupling coordination of digital economy and urban green development, using entropy method, coupling coordination model, and spatial auto-correlation to examine the coordinated development relationship between the two.The results show that:(1) During the research period, the comprehensive level of digital economy and urban green development in the Yangtze River Delta (YRD) both showed an upward and consistent trend. The level of digital economy was significantly lower than that of green development, but the gap between the two continued to narrow. (2) The overall coupling coordination level between digital economy and green development in the 41 cities of YRD was relatively low but showing a continuous upward trend. It has undergone a transition from near imbalance to primary coordination, still with a long way to realize high-quality coordination. (3) The coupling coordination level of digital economy and urban green development in different regions of YRD showed spatial differences, the order from high to low was Shanghai, Zhejiang, Jiangsu and Anhui province respectively. (4) The coupling coordination of digital economy and urban green development in the YRD exhibited significant spatial positive correlation and spatial dependence characteristics. The research results can provide a new perspective to promote the positive interaction between green development and digital economy.